NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
24082 | 2k0a | 15644 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
assign ( resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 100 and name HB3 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) ( resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) 3.3 0.7 0.7 volume=0.838 peak=1046 ppm1=2.999 ppm2=7.845 assign ( resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 100 and name HB3 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.3 0.7 0.7 volume=0.820 peak=1047 ppm1=7.843 ppm2=2.999 assign ( resid 14 and name HE22 or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 100 and name HB3 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.2 0.6 0.6 volume=1.225 peak=1048 ppm1=6.962 ppm2=2.998 assign ( resid 4 and name HB3 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) ( resid 2 and name HA or resid 4 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 69 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 2.8 0.6 0.6 volume=2.029 peak=1049 ppm1=3.004 ppm2=4.547 assign ( resid 36 and name HD# ) ( resid 36 and name HN ) 3.6 0.7 0.7 volume=0.991 peak=1050 ppm1=7.148 ppm2=8.723 assign ( resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) ( resid 72 and name HN ) 3.5 0.7 0.7 volume=0.727 peak=1051 ppm1=6.975 ppm2=9.337 assign ( resid 72 and name HN ) ( resid 4 and name HD2 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 72 and name HE# or resid 95 and name HD21 ) 4.4 0.9 0.9 volume=0.190 peak=1052 ppm1=9.335 ppm2=6.893 assign ( resid 6 and name HB2 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 82 and name HA ) ( resid 6 and name HA or resid 62 and name HA or resid 95 and name HA ) 3.1 0.6 0.6 volume=1.129 peak=1053 ppm1=3.223 ppm2=4.690 assign ( resid 4 and name HB2 or resid 6 and name HB3 or resid 42 and name HE2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 68 and name HB3 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 ) ( resid 6 and name HA or resid 62 and name HA or resid 95 and name HA ) 3.2 0.6 0.6 volume=1.063 peak=1054 ppm1=2.980 ppm2=4.689 assign ( resid 50 and name HN or resid 56 and name HN ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 71 and name HZ or resid 101 and name HE# ) 3.4 0.7 0.7 volume=0.971 peak=1055 ppm1=7.855 ppm2=7.340 assign ( resid 51 and name HN or resid 55 and name HN ) ( resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) 3.3 0.7 0.7 volume=0.877 peak=1056 ppm1=7.338 ppm2=7.856 assign ( resid 7 and name HB3 or resid 23 and name HB2 or resid 40 and name HE2 or resid 71 and name HB3 or resid 72 and name HB2 ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 3.0 0.6 0.6 volume=1.355 peak=1057 ppm1=2.614 ppm2=2.846 assign ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 40 and name HE2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 98 and name HB2 ) 3.0 0.6 0.6 volume=1.381 peak=1058 ppm1=2.848 ppm2=2.612 assign ( resid 71 and name HN ) ( resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 95 and name HD21 ) 3.3 0.7 0.7 volume=0.915 peak=1059 ppm1=8.878 ppm2=6.930 assign ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) ( resid 2 and name HA or resid 4 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.1 0.6 0.6 volume=1.293 peak=1060 ppm1=3.126 ppm2=4.545 assign ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) ( resid 2 and name HA or resid 4 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 69 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 2.9 0.6 0.6 volume=1.875 peak=1061 ppm1=3.018 ppm2=4.548 assign ( resid 4 and name HB3 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) ( resid 51 and name HN or resid 62 and name HD21 or resid 101 and name HE# ) 3.3 0.7 0.7 volume=1.071 peak=1062 ppm1=3.005 ppm2=7.367 assign ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 53 and name HE3 or resid 53 and name HE2 or resid 78 and name HD3 or resid 100 and name HB2 or resid 101 and name HB3 ) ( resid 2 and name HA or resid 4 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.0 0.6 0.6 volume=1.555 peak=1063 ppm1=3.036 ppm2=4.546 assign ( resid 14 and name HE22 or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.7 0.7 0.7 volume=0.495 peak=1064 ppm1=6.960 ppm2=3.032 assign ( resid 5 and name HE21 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 60 and name HB or resid 78 and name HB3 or resid 107 and name HB ) 3.3 0.7 0.7 volume=0.830 peak=1065 ppm1=7.485 ppm2=2.110 assign ( resid 5 and name HE22 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 60 and name HB or resid 78 and name HB3 or resid 107 and name HB ) 3.7 0.7 0.7 volume=0.463 peak=1066 ppm1=6.821 ppm2=2.109 assign ( resid 5 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 99 and name HA or resid 102 and name HA ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 89 and name HB or resid 102 and name HB3 ) 3.6 0.7 0.7 volume=0.468 peak=1067 ppm1=4.210 ppm2=1.912 assign ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) 4.0 0.8 0.8 volume=0.272 peak=1068 ppm1=4.207 ppm2=1.869 assign ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 58 and name HA or resid 99 and name HA or resid 102 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 60 and name HB or resid 78 and name HB3 or resid 81 and name HB2 ) 3.7 0.7 0.7 volume=0.416 peak=1069 ppm1=4.209 ppm2=2.112 assign ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 81 and name HB2 or resid 87 and name HB3 ) 2.9 0.6 0.6 volume=1.898 peak=1070 ppm1=8.380 ppm2=2.126 assign ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 2.9 0.6 0.6 volume=1.853 peak=1071 ppm1=8.380 ppm2=1.972 assign ( resid 18 and name HN ) ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG2 ) 3.5 0.7 0.7 volume=0.547 peak=1072 ppm1=8.624 ppm2=2.358 assign ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG2 ) ( resid 18 and name HN ) 3.7 0.7 0.7 volume=0.404 peak=1073 ppm1=2.367 ppm2=8.624 assign ( resid 25 and name HN or resid 48 and name HN or resid 63 and name HN ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.1 0.6 0.6 volume=1.269 peak=1074 ppm1=8.392 ppm2=3.006 assign ( resid 25 and name HN or resid 48 and name HN ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.3 0.7 0.7 volume=0.794 peak=1075 ppm1=8.391 ppm2=2.870 assign ( resid 25 and name HN or resid 48 and name HN or resid 63 and name HN ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 3.0 0.6 0.6 volume=1.524 peak=1076 ppm1=8.398 ppm2=4.464 assign ( resid 57 and name HD21 ) ( resid 27 and name HB3 or resid 33 and name HB3 or resid 57 and name HB3 ) 3.2 0.6 0.6 volume=0.964 peak=1077 ppm1=7.194 ppm2=2.493 assign ( resid 27 and name HN or resid 57 and name HD21 ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 3.4 0.7 0.7 volume=0.700 peak=1078 ppm1=7.197 ppm2=2.854 assign ( resid 41 and name HN or resid 57 and name HN ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 3.3 0.7 0.7 volume=0.826 peak=1079 ppm1=7.651 ppm2=2.848 assign ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 27 and name HN or resid 57 and name HD21 or resid 83 and name HN ) 3.5 0.7 0.7 volume=0.579 peak=1080 ppm1=2.858 ppm2=7.196 assign ( resid 27 and name HB3 or resid 33 and name HB3 or resid 57 and name HB3 ) ( resid 27 and name HN or resid 57 and name HD21 or resid 83 and name HN ) 3.0 0.6 0.6 volume=1.472 peak=1081 ppm1=2.487 ppm2=7.194 assign ( resid 29 and name HE3 or resid 64 and name HB3 or resid 95 and name HB3 ) ( resid 8 and name HN or resid 28 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 4.2 0.8 0.8 volume=0.204 peak=1082 ppm1=2.793 ppm2=7.944 assign ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 4 and name HD2 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 95 and name HD21 ) 3.6 0.7 0.7 volume=0.622 peak=1083 ppm1=2.870 ppm2=6.904 assign ( resid 29 and name HE3 or resid 64 and name HB3 or resid 95 and name HB3 ) ( resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 95 and name HD21 ) 3.6 0.7 0.7 volume=0.637 peak=1084 ppm1=2.796 ppm2=6.912 assign ( resid 64 and name HD21 ) ( resid 48 and name HD22 or resid 64 and name HD22 ) 3.0 0.6 0.6 volume=1.385 peak=1085 ppm1=7.945 ppm2=7.093 assign ( resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 95 and name HD21 ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.5 0.7 0.7 volume=0.779 peak=1086 ppm1=6.907 ppm2=2.868 assign ( resid 64 and name HN or resid 95 and name HD21 ) ( resid 29 and name HE3 or resid 64 and name HB3 or resid 95 and name HB2 or resid 95 and name HB3 ) 3.3 0.7 0.7 volume=0.783 peak=1087 ppm1=6.907 ppm2=2.799 assign ( resid 4 and name HB2 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 ) 3.0 0.6 0.6 volume=1.501 peak=1088 ppm1=2.954 ppm2=2.676 assign ( resid 4 and name HB2 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 107 and name HN ) 3.9 0.8 0.8 volume=0.325 peak=1089 ppm1=2.955 ppm2=7.751 assign ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN or resid 107 and name HN ) 3.5 0.7 0.7 volume=0.601 peak=1090 ppm1=2.677 ppm2=7.749 assign ( resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 75 and name HN ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN or resid 107 and name HN ) 4.0 0.8 0.8 volume=0.247 peak=1091 ppm1=8.168 ppm2=7.749 assign ( resid 68 and name HD21 ) ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 ) 3.3 0.7 0.7 volume=0.873 peak=1092 ppm1=7.751 ppm2=2.674 assign ( resid 68 and name HD21 ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) 3.6 0.7 0.7 volume=0.524 peak=1093 ppm1=7.749 ppm2=2.955 assign ( resid 68 and name HN ) ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 ) 3.2 0.6 0.6 volume=0.982 peak=1094 ppm1=8.166 ppm2=2.680 assign ( resid 6 and name HN or resid 68 and name HN ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) 3.5 0.7 0.7 volume=0.620 peak=1095 ppm1=8.166 ppm2=2.959 assign ( resid 68 and name HD22 ) ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 ) 3.6 0.7 0.7 volume=0.515 peak=1096 ppm1=7.000 ppm2=2.677 assign ( resid 68 and name HD22 ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) 3.8 0.8 0.8 volume=0.365 peak=1097 ppm1=6.999 ppm2=2.955 assign ( resid 91 and name HD22 ) ( resid 74 and name HZ2 or resid 84 and name HN or resid 91 and name HD21 ) 2.7 0.5 0.5 volume=2.543 peak=1098 ppm1=6.964 ppm2=7.569 assign ( resid 44 and name HN or resid 88 and name HE or resid 95 and name HD22 ) ( resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 95 and name HD21 ) 3.3 0.7 0.7 volume=1.042 peak=1099 ppm1=7.601 ppm2=6.921 assign ( resid 95 and name HD21 ) ( resid 44 and name HN or resid 79 and name HN or resid 88 and name HE or resid 91 and name HD21 or resid 95 and name HD22 ) 3.1 0.6 0.6 volume=1.295 peak=1100 ppm1=6.915 ppm2=7.605 assign ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# or resid 107 and name HG1# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 4.0 0.8 0.8 volume=0.765 peak=1101 ppm1=0.869 ppm2=8.896 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.5 0.7 0.7 volume=1.186 peak=1102 ppm1=1.035 ppm2=8.886 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 70 and name HB# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.5 0.7 0.7 volume=1.057 peak=1103 ppm1=1.013 ppm2=8.881 assign ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.8 0.8 0.8 volume=1.104 peak=1104 ppm1=0.893 ppm2=8.888 assign ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.5 0.7 0.7 volume=1.000 peak=1105 ppm1=0.794 ppm2=8.137 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 65 and name HG2# or resid 79 and name HD1# or resid 89 and name HG2# ) ( resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 102 and name HN or resid 104 and name HN ) 3.3 0.7 0.7 volume=2.576 peak=1106 ppm1=0.942 ppm2=8.226 assign ( resid 8 and name HD1# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.7 0.7 0.7 volume=1.237 peak=1107 ppm1=0.907 ppm2=8.161 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 65 and name HG2# or resid 79 and name HD1# or resid 89 and name HG2# ) ( resid 32 and name HN ) 3.6 0.7 0.7 volume=1.419 peak=1108 ppm1=0.943 ppm2=8.621 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 81 and name HN ) 3.0 0.6 0.6 volume=1.344 peak=1109 ppm1=1.509 ppm2=8.440 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.3 0.7 0.7 volume=0.885 peak=1110 ppm1=1.510 ppm2=8.497 assign ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 59 and name HB or resid 83 and name HB2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) ( resid 11 and name HN or resid 36 and name HN or resid 89 and name HN ) 3.4 0.7 0.7 volume=0.746 peak=1111 ppm1=1.966 ppm2=8.769 assign ( resid 89 and name HB ) ( resid 11 and name HN or resid 89 and name HN ) 3.1 0.6 0.6 volume=1.209 peak=1112 ppm1=1.943 ppm2=8.771 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.3 0.7 0.7 volume=0.904 peak=1113 ppm1=1.579 ppm2=8.889 assign ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.4 0.7 0.7 volume=0.643 peak=1114 ppm1=1.491 ppm2=8.886 assign ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) ( resid 46 and name HN ) 3.8 0.8 0.8 volume=0.604 peak=1115 ppm1=0.793 ppm2=9.751 assign ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 46 and name HN ) 3.2 0.6 0.6 volume=1.091 peak=1116 ppm1=2.418 ppm2=9.748 assign ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 ) ( resid 76 and name HN ) 3.4 0.7 0.7 volume=0.752 peak=1117 ppm1=3.167 ppm2=9.431 assign ( resid 6 and name HB2 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 82 and name HA ) ( resid 82 and name HN ) 3.4 0.7 0.7 volume=0.733 peak=1118 ppm1=3.227 ppm2=9.252 assign ( resid 37 and name HA or resid 65 and name HA ) ( resid 66 and name HN ) 3.0 0.6 0.6 volume=1.424 peak=1119 ppm1=4.000 ppm2=9.068 assign ( resid 5 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 99 and name HA or resid 102 and name HA ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.7 0.7 0.7 volume=0.439 peak=1120 ppm1=4.231 ppm2=8.885 assign ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.6 0.7 0.7 volume=0.458 peak=1121 ppm1=4.062 ppm2=8.386 assign ( resid 9 and name HA or resid 25 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 3 and name HN or resid 10 and name HN or resid 105 and name HN ) 3.4 0.7 0.7 volume=0.706 peak=1122 ppm1=4.312 ppm2=8.340 assign ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.4 0.7 0.7 volume=0.682 peak=1123 ppm1=4.375 ppm2=8.123 assign ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) ( resid 20 and name HN or resid 30 and name HN ) 3.3 0.7 0.7 volume=0.847 peak=1124 ppm1=4.066 ppm2=8.014 assign ( resid -1 and name HA2 or resid -1 and name HA1 or resid 11 and name HA or resid 16 and name HA1 or resid 78 and name HA or resid 94 and name HB2 ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.6 0.7 0.7 volume=0.502 peak=1125 ppm1=3.824 ppm2=8.249 assign ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.3 0.7 0.7 volume=0.803 peak=1126 ppm1=3.469 ppm2=8.484 assign ( resid 66 and name HA2 or resid 74 and name HB2 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.5 0.7 0.7 volume=0.610 peak=1127 ppm1=3.448 ppm2=8.486 assign ( resid 13 and name HE2 or resid 30 and name HB3 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.5 0.7 0.7 volume=0.554 peak=1128 ppm1=3.196 ppm2=8.486 assign ( resid 32 and name HB or resid 44 and name HD3 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 101 and name HB2 ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 3.4 0.7 0.7 volume=0.654 peak=1129 ppm1=3.110 ppm2=8.621 assign ( resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 83 and name HE3 or resid 83 and name HE2 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.2 0.6 0.6 volume=0.974 peak=1130 ppm1=2.943 ppm2=8.494 assign ( resid 4 and name HB2 or resid 6 and name HB3 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.3 0.7 0.7 volume=0.910 peak=1131 ppm1=2.967 ppm2=8.487 assign ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.2 0.6 0.6 volume=1.017 peak=1132 ppm1=3.009 ppm2=8.396 assign ( resid 26 and name HB3 or resid 57 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) ( resid 7 and name HN or resid 16 and name HN or resid 26 and name HN or resid 98 and name HN or resid 105 and name HN ) 3.5 0.7 0.7 volume=0.604 peak=1133 ppm1=2.835 ppm2=8.292 assign ( resid 7 and name HB3 or resid 23 and name HB2 or resid 40 and name HE2 or resid 71 and name HB3 or resid 72 and name HB2 ) ( resid 24 and name HN or resid 40 and name HN ) 3.4 0.7 0.7 volume=0.710 peak=1134 ppm1=2.609 ppm2=9.005 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 69 and name HB2 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.3 0.7 0.7 volume=0.789 peak=1135 ppm1=2.447 ppm2=8.490 assign ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN ) 3.4 0.7 0.7 volume=0.659 peak=1136 ppm1=3.126 ppm2=7.657 assign ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN ) 3.4 0.7 0.7 volume=0.716 peak=1137 ppm1=3.118 ppm2=7.653 assign ( resid 12 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE ) 3.5 0.7 0.7 volume=0.613 peak=1138 ppm1=2.029 ppm2=7.648 assign ( resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) ( resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 3.6 0.7 0.7 volume=0.475 peak=1139 ppm1=2.084 ppm2=7.629 assign ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA ) ( resid 28 and name HN or resid 52 and name HN ) 3.7 0.7 0.7 volume=0.428 peak=1140 ppm1=4.256 ppm2=7.917 assign ( resid 37 and name HA or resid 49 and name HA or resid 80 and name HA1 or resid 93 and name HA2 or resid 93 and name HA1 ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN ) 3.5 0.7 0.7 volume=0.570 peak=1141 ppm1=3.969 ppm2=7.718 assign ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 ) ( resid 20 and name HN or resid 30 and name HN ) 3.5 0.7 0.7 volume=0.576 peak=1142 ppm1=3.485 ppm2=8.014 assign ( resid 15 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) ( resid 44 and name HN or resid 79 and name HN or resid 88 and name HE or resid 91 and name HD21 or resid 95 and name HD22 ) 3.0 0.6 0.6 volume=1.495 peak=1143 ppm1=3.605 ppm2=7.603 assign ( resid 15 and name HD3 or resid 43 and name HA ) ( resid 4 and name HD2 or resid 72 and name HE# ) 3.4 0.7 0.7 volume=0.910 peak=1144 ppm1=3.602 ppm2=6.887 assign ( resid 83 and name HN ) ( resid 74 and name HZ2 or resid 84 and name HN or resid 91 and name HD21 ) 3.2 0.6 0.6 volume=0.935 peak=1145 ppm1=7.196 ppm2=7.559 assign ( resid 29 and name HN ) ( resid 28 and name HN or resid 52 and name HN ) 3.4 0.7 0.7 volume=0.735 peak=1146 ppm1=7.531 ppm2=7.911 assign ( resid 57 and name HN ) ( resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) 3.4 0.7 0.7 volume=0.674 peak=1147 ppm1=7.652 ppm2=7.851 assign ( resid 84 and name HN ) ( resid 4 and name HE1 or resid 85 and name HN or resid 88 and name HN or resid 107 and name HN ) 3.3 0.7 0.7 volume=0.889 peak=1148 ppm1=7.558 ppm2=7.784 assign ( resid 79 and name HN ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.2 0.6 0.6 volume=0.941 peak=1149 ppm1=7.627 ppm2=8.204 assign ( resid 62 and name HN ) ( resid 6 and name HN or resid 61 and name HN or resid 68 and name HN or resid 75 and name HN ) 3.1 0.6 0.6 volume=1.153 peak=1150 ppm1=7.843 ppm2=8.176 assign ( resid 27 and name HN ) ( resid 7 and name HN or resid 26 and name HN or resid 98 and name HN or resid 105 and name HN ) 2.9 0.6 0.6 volume=1.871 peak=1151 ppm1=7.181 ppm2=8.295 assign ( resid 33 and name HN ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 3.2 0.6 0.6 volume=0.938 peak=1152 ppm1=7.657 ppm2=8.619 assign ( resid 33 and name HN ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.1 0.6 0.6 volume=1.101 peak=1153 ppm1=7.656 ppm2=8.471 assign ( resid 80 and name HN ) ( resid 81 and name HN ) 3.0 0.6 0.6 volume=1.547 peak=1154 ppm1=7.718 ppm2=8.440 assign ( resid 41 and name HN ) ( resid 24 and name HN or resid 40 and name HN or resid 42 and name HN ) 3.3 0.7 0.7 volume=0.836 peak=1155 ppm1=7.648 ppm2=9.002 assign ( resid 61 and name HN ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.1 0.6 0.6 volume=1.245 peak=1156 ppm1=8.177 ppm2=8.891 assign ( resid 68 and name HN ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 2.9 0.6 0.6 volume=1.977 peak=1157 ppm1=8.163 ppm2=8.489 assign ( resid 14 and name HE22 or resid 71 and name HD# or resid 95 and name HD21 ) ( resid 24 and name HN or resid 40 and name HN or resid 42 and name HN ) 3.6 0.7 0.7 volume=0.545 peak=1158 ppm1=6.931 ppm2=9.003 assign ( resid 67 and name HB ) ( resid 43 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.3 0.7 0.7 volume=0.867 peak=1159 ppm1=2.170 ppm2=8.165 assign ( resid 17 and name HB or resid 75 and name HB3 or resid 75 and name HB2 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 68 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.2 0.6 0.6 volume=0.952 peak=1160 ppm1=2.257 ppm2=8.144 assign ( resid 17 and name HB or resid 75 and name HB3 or resid 75 and name HB2 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 68 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.2 0.6 0.6 volume=0.918 peak=1161 ppm1=2.280 ppm2=8.142 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 3.0 0.6 0.6 volume=1.391 peak=1162 ppm1=1.754 ppm2=7.628 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.3 0.7 0.7 volume=0.851 peak=1163 ppm1=1.861 ppm2=8.549 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.2 0.6 0.6 volume=0.991 peak=1164 ppm1=1.859 ppm2=8.381 assign ( resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 104 and name HB2 or resid 105 and name HB3 ) ( resid 3 and name HN or resid 10 and name HN or resid 105 and name HN ) 3.4 0.7 0.7 volume=0.708 peak=1165 ppm1=1.801 ppm2=8.339 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) ( resid 3 and name HN or resid 10 and name HN or resid 105 and name HN ) 3.5 0.7 0.7 volume=0.626 peak=1166 ppm1=1.774 ppm2=8.343 assign ( resid 8 and name HG or resid 15 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HB2 or resid 97 and name HG or resid 97 and name HB2 ) ( resid 6 and name HN or resid 17 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.4 0.7 0.7 volume=0.740 peak=1167 ppm1=1.623 ppm2=8.206 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 15 and name HG3 or resid 25 and name HG2 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB2 ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.4 0.7 0.7 volume=0.753 peak=1168 ppm1=1.611 ppm2=8.204 assign ( resid 36 and name HN ) ( resid 7 and name HA or resid 35 and name HA ) 2.9 0.6 0.6 volume=1.784 peak=1169 ppm1=8.721 ppm2=4.618 assign ( resid 71 and name HN ) ( resid 2 and name HA or resid 34 and name HA or resid 69 and name HA or resid 70 and name HA or resid 100 and name HA ) 2.9 0.6 0.6 volume=1.906 peak=1170 ppm1=8.877 ppm2=4.512 assign ( resid 59 and name HN or resid 60 and name HN or resid 90 and name HN ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 2.9 0.6 0.6 volume=1.730 peak=1171 ppm1=8.889 ppm2=4.363 assign ( resid 24 and name HN or resid 40 and name HN ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 56 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.0 0.6 0.6 volume=1.389 peak=1172 ppm1=9.003 ppm2=4.303 assign ( resid 9 and name HN or resid 58 and name HN ) ( resid 4 and name HA or resid 7 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 2.9 0.6 0.6 volume=1.954 peak=1173 ppm1=8.546 ppm2=4.570 assign ( resid 69 and name HN ) ( resid 2 and name HA or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.2 0.6 0.6 volume=0.921 peak=1174 ppm1=8.492 ppm2=4.522 assign ( resid 70 and name HN ) ( resid 2 and name HA or resid 34 and name HA or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 2.7 0.5 0.5 volume=2.707 peak=1175 ppm1=8.243 ppm2=4.521 assign ( resid 34 and name HN ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 70 and name HA or resid 84 and name HA ) 2.7 0.5 0.5 volume=2.530 peak=1176 ppm1=8.472 ppm2=4.489 assign ( resid 78 and name HN ) ( resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 90 and name HA or resid 94 and name HA ) 3.4 0.7 0.7 volume=0.733 peak=1177 ppm1=8.206 ppm2=4.408 assign ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 68 and name HN or resid 75 and name HN or resid 99 and name HN ) ( resid 13 and name HA or resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 90 and name HA or resid 94 and name HA ) 3.4 0.7 0.7 volume=0.757 peak=1178 ppm1=8.144 ppm2=4.406 assign ( resid 67 and name HN ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 94 and name HA ) 3.4 0.7 0.7 volume=0.693 peak=1179 ppm1=8.489 ppm2=4.386 assign ( resid 68 and name HN ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA ) 3.3 0.7 0.7 volume=0.766 peak=1180 ppm1=8.163 ppm2=4.385 assign ( resid 18 and name HN ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.3 0.7 0.7 volume=0.863 peak=1181 ppm1=8.625 ppm2=4.370 assign ( resid 13 and name HN ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.3 0.7 0.7 volume=0.894 peak=1182 ppm1=8.547 ppm2=4.368 assign ( resid 14 and name HN ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 2.6 0.5 0.5 volume=3.379 peak=1183 ppm1=8.381 ppm2=4.373 assign ( resid 91 and name HN ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.3 0.7 0.7 volume=0.807 peak=1184 ppm1=8.245 ppm2=4.377 assign ( resid 9 and name HN or resid 58 and name HN ) ( resid 9 and name HA or resid 25 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.4 0.7 0.7 volume=0.756 peak=1185 ppm1=8.547 ppm2=4.313 assign ( resid 35 and name HN ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 56 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.3 0.7 0.7 volume=0.802 peak=1186 ppm1=8.383 ppm2=4.301 assign ( resid 3 and name HN or resid 10 and name HN ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.6 0.5 0.5 volume=3.251 peak=1187 ppm1=8.342 ppm2=4.309 assign ( resid 25 and name HN ) ( resid 3 and name HA or resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.9 0.6 0.6 volume=1.826 peak=1188 ppm1=8.401 ppm2=4.294 assign ( resid 38 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.0 0.6 0.6 volume=1.611 peak=1189 ppm1=8.488 ppm2=4.270 assign ( resid 92 and name HN or resid 97 and name HN or resid 103 and name HN or resid 104 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.4 0.7 0.7 volume=0.647 peak=1190 ppm1=8.248 ppm2=4.270 assign ( resid 17 and name HN or resid 92 and name HN or resid 97 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.4 0.7 0.7 volume=0.726 peak=1191 ppm1=8.231 ppm2=4.269 assign ( resid 7 and name HN or resid 26 and name HN or resid 105 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.4 0.7 0.7 volume=0.640 peak=1192 ppm1=8.302 ppm2=4.259 assign ( resid 78 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.3 0.7 0.7 volume=0.863 peak=1193 ppm1=8.214 ppm2=4.262 assign ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) ( resid 5 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 79 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.4 0.7 0.7 volume=0.654 peak=1194 ppm1=8.557 ppm2=4.226 assign ( resid 81 and name HN ) ( resid 19 and name HB or resid 81 and name HA or resid 102 and name HA ) 3.2 0.6 0.6 volume=1.093 peak=1195 ppm1=8.440 ppm2=4.180 assign ( resid 47 and name HN ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.3 0.7 0.7 volume=0.898 peak=1196 ppm1=8.813 ppm2=4.063 assign ( resid 35 and name HN or resid 48 and name HN ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.2 0.6 0.6 volume=1.023 peak=1197 ppm1=8.381 ppm2=4.063 assign ( resid 89 and name HN ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.1 0.6 0.6 volume=1.171 peak=1198 ppm1=8.774 ppm2=4.044 assign ( resid 24 and name HN ) ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) 3.0 0.6 0.6 volume=1.365 peak=1199 ppm1=9.010 ppm2=4.122 assign ( resid 76 and name HN ) ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 94 and name HB3 ) 3.2 0.6 0.6 volume=0.967 peak=1200 ppm1=9.433 ppm2=3.872 assign ( resid 43 and name HN ) ( resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 2.9 0.6 0.6 volume=1.882 peak=1201 ppm1=8.135 ppm2=3.708 assign ( resid 34 and name HN or resid 67 and name HN ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.2 0.6 0.6 volume=0.981 peak=1202 ppm1=8.478 ppm2=3.465 assign ( resid 82 and name HN ) ( resid 6 and name HB2 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 82 and name HA ) 3.3 0.7 0.7 volume=0.851 peak=1203 ppm1=9.252 ppm2=3.225 assign ( resid 76 and name HN ) ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 66 and name HA1 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) 3.2 0.6 0.6 volume=0.952 peak=1204 ppm1=9.435 ppm2=3.169 assign ( resid 32 and name HN ) ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.3 0.7 0.7 volume=0.898 peak=1205 ppm1=8.620 ppm2=3.119 assign ( resid 76 and name HN ) ( resid 17 and name HB or resid 75 and name HB3 or resid 75 and name HB2 ) 3.3 0.7 0.7 volume=0.782 peak=1206 ppm1=9.433 ppm2=2.269 assign ( resid 47 and name HN ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 2.8 0.6 0.6 volume=2.351 peak=1207 ppm1=8.812 ppm2=2.068 assign ( resid 11 and name HN or resid 89 and name HN ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) 3.1 0.6 0.6 volume=1.234 peak=1208 ppm1=8.767 ppm2=1.949 assign ( resid 69 and name HN ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) 3.1 0.6 0.6 volume=1.281 peak=1209 ppm1=8.491 ppm2=2.952 assign ( resid 50 and name HN or resid 56 and name HN ) ( resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.3 0.7 0.7 volume=0.768 peak=1210 ppm1=7.855 ppm2=3.628 assign ( resid 44 and name HN ) ( resid 15 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 2.9 0.6 0.6 volume=1.943 peak=1211 ppm1=7.603 ppm2=3.603 assign ( resid 69 and name HN ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.2 0.6 0.6 volume=0.968 peak=1212 ppm1=8.491 ppm2=2.444 assign ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) ( resid 13 and name HB2 or resid 47 and name HG3 or resid 47 and name HG2 ) 3.4 0.7 0.7 volume=0.679 peak=1213 ppm1=8.545 ppm2=2.320 assign ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) 3.1 0.6 0.6 volume=1.329 peak=1214 ppm1=8.545 ppm2=1.858 assign ( resid 14 and name HN or resid 63 and name HN ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) 3.0 0.6 0.6 volume=1.547 peak=1215 ppm1=8.381 ppm2=1.855 assign ( resid 9 and name HN or resid 58 and name HN ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.2 0.6 0.6 volume=0.960 peak=1216 ppm1=8.547 ppm2=1.765 assign ( resid 10 and name HN ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.4 0.7 0.7 volume=0.732 peak=1217 ppm1=8.342 ppm2=1.764 assign ( resid 14 and name HN or resid 63 and name HN ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 31 and name HG2 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 2.9 0.6 0.6 volume=1.781 peak=1218 ppm1=8.401 ppm2=1.737 assign ( resid 68 and name HN ) ( resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 102 and name HG3 ) 3.2 0.6 0.6 volume=1.082 peak=1219 ppm1=8.165 ppm2=2.169 assign ( resid 37 and name HN ) ( resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 102 and name HG3 ) 3.0 0.6 0.6 volume=1.611 peak=1220 ppm1=8.057 ppm2=2.170 assign ( resid 78 and name HN ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 3.1 0.6 0.6 volume=1.256 peak=1221 ppm1=8.205 ppm2=2.079 assign ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.1 0.6 0.6 volume=1.308 peak=1222 ppm1=8.402 ppm2=1.994 assign ( resid 25 and name HN or resid 48 and name HN ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 2.7 0.5 0.5 volume=2.617 peak=1223 ppm1=8.401 ppm2=2.095 assign ( resid 38 and name HN or resid 67 and name HN or resid 69 and name HN ) ( resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 102 and name HG3 ) 3.0 0.6 0.6 volume=1.563 peak=1224 ppm1=8.489 ppm2=2.165 assign ( resid 71 and name HN or resid 90 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.1 0.6 0.6 volume=1.134 peak=1225 ppm1=8.889 ppm2=1.576 assign ( resid 90 and name HN ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.2 0.6 0.6 volume=0.922 peak=1226 ppm1=8.888 ppm2=1.483 assign ( resid 59 and name HN or resid 71 and name HN ) ( resid 22 and name HD1# or resid 55 and name HB# or resid 59 and name HG12 ) 3.7 0.7 0.7 volume=0.810 peak=1227 ppm1=8.883 ppm2=1.346 assign ( resid 82 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 31 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.4 0.7 0.7 volume=0.693 peak=1228 ppm1=9.253 ppm2=1.604 assign ( resid 22 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.3 0.7 0.7 volume=0.901 peak=1229 ppm1=9.292 ppm2=1.582 assign ( resid 19 and name HN or resid 43 and name HN ) ( resid 19 and name HG2# or resid 40 and name HG3 or resid 42 and name HG2 ) 3.0 0.6 0.6 volume=1.839 peak=1230 ppm1=8.124 ppm2=1.165 assign ( resid 40 and name HN or resid 42 and name HN ) ( resid 9 and name HG13 or resid 39 and name HB3 or resid 42 and name HG2 ) 3.3 0.7 0.7 volume=0.776 peak=1231 ppm1=9.002 ppm2=1.127 assign ( resid 59 and name HN ) ( resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# or resid 65 and name HG1# ) 3.2 0.6 0.6 volume=1.500 peak=1232 ppm1=8.886 ppm2=1.069 assign ( resid 71 and name HN ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 3.3 0.7 0.7 volume=1.689 peak=1233 ppm1=8.887 ppm2=1.027 assign ( resid 70 and name HN ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 70 and name HB# ) 3.3 0.7 0.7 volume=1.594 peak=1234 ppm1=8.241 ppm2=1.009 assign ( resid 18 and name HN or resid 32 and name HN ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HG2# ) 3.6 0.7 0.7 volume=1.514 peak=1235 ppm1=8.622 ppm2=0.943 assign ( resid 90 and name HN ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.6 0.7 0.7 volume=1.368 peak=1236 ppm1=8.889 ppm2=0.909 assign ( resid 9 and name HN or resid 58 and name HN ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.9 0.8 0.8 volume=0.903 peak=1237 ppm1=8.545 ppm2=0.913 assign ( resid 24 and name HN ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.8 0.8 0.8 volume=1.147 peak=1238 ppm1=9.009 ppm2=0.904 assign ( resid 89 and name HN ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.1 0.8 0.8 volume=0.723 peak=1239 ppm1=8.771 ppm2=0.907 assign ( resid 67 and name HN ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.6 0.7 0.7 volume=1.490 peak=1240 ppm1=8.487 ppm2=0.905 assign ( resid 61 and name HN or resid 68 and name HN ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.5 0.7 0.7 volume=1.667 peak=1241 ppm1=8.166 ppm2=0.902 assign ( resid 60 and name HN or resid 90 and name HN ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 67 and name HG2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.7 0.7 0.7 volume=1.247 peak=1242 ppm1=8.889 ppm2=0.883 assign ( resid 9 and name HN or resid 58 and name HN ) ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 97 and name HD2# or resid 107 and name HG1# ) 3.8 0.8 0.8 volume=1.073 peak=1243 ppm1=8.545 ppm2=0.870 assign ( resid 10 and name HN ) ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 107 and name HG1# ) 3.6 0.7 0.7 volume=1.497 peak=1244 ppm1=8.343 ppm2=0.872 assign ( resid 78 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 8 and name HG or resid 15 and name HG3 or resid 25 and name HG2 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB2 ) 3.0 0.6 0.6 volume=1.336 peak=1245 ppm1=8.205 ppm2=1.617 assign ( resid 25 and name HN or resid 63 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 31 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 ) 3.1 0.6 0.6 volume=1.234 peak=1246 ppm1=8.402 ppm2=1.605 assign ( resid 92 and name HN or resid 97 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.2 0.6 0.6 volume=1.058 peak=1247 ppm1=8.209 ppm2=1.594 assign ( resid 21 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.3 0.7 0.7 volume=0.771 peak=1248 ppm1=8.495 ppm2=1.577 assign ( resid 97 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.2 0.6 0.6 volume=0.949 peak=1249 ppm1=8.248 ppm2=1.585 assign ( resid 43 and name HN or resid 45 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) 3.5 0.7 0.7 volume=0.632 peak=1250 ppm1=8.137 ppm2=1.568 assign ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) ( resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 32 and name HG13 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 ) 3.4 0.7 0.7 volume=0.702 peak=1251 ppm1=8.546 ppm2=1.555 assign ( resid 43 and name HN ) ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) 3.1 0.6 0.6 volume=1.318 peak=1252 ppm1=8.136 ppm2=1.524 assign ( resid 21 and name HN ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.2 0.6 0.6 volume=1.076 peak=1253 ppm1=8.496 ppm2=1.510 assign ( resid 81 and name HN ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 2.8 0.6 0.6 volume=2.005 peak=1254 ppm1=8.441 ppm2=1.510 assign ( resid 25 and name HN ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.3 0.7 0.7 volume=0.819 peak=1255 ppm1=8.401 ppm2=1.492 assign ( resid 9 and name HN or resid 58 and name HN ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.3 0.7 0.7 volume=0.898 peak=1256 ppm1=8.545 ppm2=1.458 assign ( resid 9 and name HN or resid 58 and name HN ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 92 and name HD2# or resid 97 and name HD2# ) 3.9 0.8 0.8 volume=0.859 peak=1257 ppm1=8.548 ppm2=0.829 assign ( resid 20 and name HN ) ( resid 19 and name HG2# or resid 40 and name HG3 or resid 42 and name HG2 ) 3.5 0.7 0.7 volume=0.818 peak=1258 ppm1=7.988 ppm2=1.166 assign ( resid 23 and name HN ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 3.9 0.8 0.8 volume=0.621 peak=1259 ppm1=9.604 ppm2=1.033 assign ( resid 22 and name HN ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 4.1 0.8 0.8 volume=0.432 peak=1260 ppm1=9.290 ppm2=1.032 assign ( resid 22 and name HN ) ( resid 22 and name HD1# or resid 55 and name HB# ) 4.6 0.9 0.9 volume=0.361 peak=1261 ppm1=9.288 ppm2=1.353 assign ( resid 23 and name HN ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.8 0.8 0.8 volume=0.341 peak=1262 ppm1=9.601 ppm2=1.508 assign ( resid 82 and name HN ) ( resid 13 and name HG3 or resid 29 and name HB2 or resid 32 and name HG13 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 ) 3.9 0.8 0.8 volume=0.288 peak=1263 ppm1=9.253 ppm2=1.543 assign ( resid 22 and name HN ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.6 0.7 0.7 volume=0.460 peak=1264 ppm1=9.292 ppm2=1.509 assign ( resid 82 and name HN ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.6 0.7 0.7 volume=0.472 peak=1265 ppm1=9.253 ppm2=1.505 assign ( resid 23 and name HN ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.8 0.8 0.8 volume=0.331 peak=1266 ppm1=9.602 ppm2=1.753 assign ( resid 22 and name HN ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.8 0.8 0.8 volume=0.379 peak=1267 ppm1=9.292 ppm2=1.746 assign ( resid 82 and name HN ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) 3.7 0.7 0.7 volume=0.418 peak=1268 ppm1=9.248 ppm2=1.852 assign ( resid 42 and name HN ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.5 0.7 0.7 volume=0.581 peak=1269 ppm1=9.002 ppm2=1.504 assign ( resid 42 and name HN ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.6 0.7 0.7 volume=0.502 peak=1270 ppm1=9.002 ppm2=1.473 assign ( resid 40 and name HN ) ( resid 40 and name HB3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) 3.8 0.8 0.8 volume=0.347 peak=1271 ppm1=8.998 ppm2=1.387 assign ( resid 90 and name HN ) ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.5 0.7 0.7 volume=0.537 peak=1272 ppm1=8.889 ppm2=1.416 assign ( resid 89 and name HN ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.6 0.7 0.7 volume=0.493 peak=1273 ppm1=8.769 ppm2=1.479 assign ( resid 89 and name HN ) ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) 3.5 0.7 0.7 volume=0.543 peak=1274 ppm1=8.774 ppm2=1.400 assign ( resid 59 and name HN ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 ) 3.6 0.7 0.7 volume=0.588 peak=1275 ppm1=8.888 ppm2=1.229 assign ( resid 28 and name HN or resid 52 and name HN ) ( resid 22 and name HD1# or resid 55 and name HB# ) 3.5 0.7 0.7 volume=1.778 peak=1276 ppm1=7.918 ppm2=1.353 assign ( resid 56 and name HN ) ( resid 22 and name HD1# or resid 55 and name HB# or resid 59 and name HG12 ) 3.6 0.7 0.7 volume=0.942 peak=1277 ppm1=7.853 ppm2=1.333 assign ( resid 29 and name HN ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 3.6 0.7 0.7 volume=0.988 peak=1278 ppm1=7.531 ppm2=1.030 assign ( resid 29 and name HN ) ( resid 29 and name HG2 or resid 65 and name HG2# or resid 70 and name HB# ) 3.8 0.8 0.8 volume=0.662 peak=1279 ppm1=7.531 ppm2=0.990 assign ( resid 33 and name HN ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 65 and name HG2# or resid 79 and name HD1# ) 3.9 0.8 0.8 volume=0.730 peak=1280 ppm1=7.658 ppm2=0.950 assign ( resid 68 and name HD21 ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.2 0.8 0.8 volume=0.586 peak=1281 ppm1=7.748 ppm2=0.900 assign ( resid 71 and name HD# ) ( resid 9 and name HG13 or resid 39 and name HB3 or resid 42 and name HG2 ) 3.6 0.7 0.7 volume=1.002 peak=1282 ppm1=6.931 ppm2=1.129 assign ( resid 36 and name HE# ) ( resid 29 and name HG2 or resid 65 and name HG2# ) 4.2 0.8 0.8 volume=0.568 peak=1283 ppm1=6.903 ppm2=0.979 assign ( resid 4 and name HD2 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 72 and name HE# ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 65 and name HG2# ) 4.3 0.9 0.9 volume=0.431 peak=1284 ppm1=6.891 ppm2=0.958 assign ( resid 72 and name HD# ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 17 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.3 0.9 0.9 volume=0.993 peak=1285 ppm1=6.971 ppm2=0.912 assign ( resid 64 and name HN or resid 72 and name HE# ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.7 0.7 0.7 volume=1.739 peak=1286 ppm1=6.888 ppm2=0.913 assign ( resid 68 and name HD22 ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.1 0.8 0.8 volume=0.650 peak=1287 ppm1=6.996 ppm2=0.906 assign ( resid 71 and name HE# or resid 74 and name HD1 or resid 74 and name HH2 ) ( resid 9 and name HG13 or resid 39 and name HB3 or resid 42 and name HG2 ) 3.5 0.7 0.7 volume=0.714 peak=1288 ppm1=7.275 ppm2=1.129 assign ( resid 6 and name HD# or resid 51 and name HE# or resid 74 and name HZ3 or resid 101 and name HD# ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 17 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.5 0.9 0.9 volume=0.656 peak=1289 ppm1=7.232 ppm2=0.910 assign ( resid 6 and name HE# or resid 51 and name HD# ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 92 and name HD2# or resid 97 and name HD2# ) 4.9 1.0 1.0 volume=0.479 peak=1290 ppm1=7.333 ppm2=0.833 assign ( resid 6 and name HD# or resid 51 and name HE# or resid 74 and name HZ3 or resid 101 and name HD# ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 92 and name HD2# or resid 97 and name HD2# ) 4.4 0.9 0.9 volume=0.741 peak=1291 ppm1=7.234 ppm2=0.836 assign ( resid 6 and name HD# or resid 51 and name HE# or resid 74 and name HZ3 or resid 101 and name HD# ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 45 and name HG2# or resid 92 and name HD2# or resid 97 and name HD2# ) 4.7 0.9 0.9 volume=0.495 peak=1292 ppm1=7.233 ppm2=0.814 assign ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) ( resid 62 and name HA ) 3.7 0.7 0.7 volume=0.429 peak=1293 ppm1=8.400 ppm2=4.674 assign ( resid 35 and name HN ) ( resid 7 and name HA or resid 35 and name HA ) 3.5 0.7 0.7 volume=0.558 peak=1294 ppm1=8.376 ppm2=4.616 assign ( resid 7 and name HN or resid 98 and name HN ) ( resid 7 and name HA or resid 35 and name HA ) 3.5 0.7 0.7 volume=0.618 peak=1295 ppm1=8.297 ppm2=4.600 assign ( resid 20 and name HN or resid 30 and name HN or resid 101 and name HN ) ( resid 7 and name HA or resid 35 and name HA ) 3.6 0.7 0.7 volume=0.475 peak=1296 ppm1=7.996 ppm2=4.598 assign ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) ( resid 4 and name HA or resid 7 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 35 and name HA ) 3.6 0.7 0.7 volume=0.461 peak=1297 ppm1=8.247 ppm2=4.584 assign ( resid 14 and name HE22 or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) ( resid 2 and name HA or resid 4 and name HA or resid 7 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.6 0.7 0.7 volume=0.611 peak=1298 ppm1=6.959 ppm2=4.567 assign ( resid 71 and name HD# ) ( resid 2 and name HA or resid 34 and name HA or resid 69 and name HA or resid 70 and name HA or resid 100 and name HA ) 3.9 0.8 0.8 volume=0.624 peak=1299 ppm1=6.932 ppm2=4.514 assign ( resid 33 and name HN ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 69 and name HA or resid 70 and name HA or resid 84 and name HA ) 3.7 0.7 0.7 volume=0.422 peak=1300 ppm1=7.655 ppm2=4.493 assign ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 71 and name HZ or resid 101 and name HZ ) ( resid 1 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 3.7 0.7 0.7 volume=0.483 peak=1301 ppm1=7.324 ppm2=4.459 assign ( resid 64 and name HN ) ( resid 1 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 3.5 0.7 0.7 volume=0.537 peak=1302 ppm1=6.905 ppm2=4.459 assign ( resid 74 and name HD1 or resid 74 and name HH2 ) ( resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 90 and name HA or resid 94 and name HA ) 3.7 0.7 0.7 volume=0.426 peak=1303 ppm1=7.272 ppm2=4.407 assign ( resid 89 and name HN ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.6 0.7 0.7 volume=0.533 peak=1304 ppm1=8.771 ppm2=4.358 assign ( resid 11 and name HN ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.5 0.7 0.7 volume=0.542 peak=1305 ppm1=8.761 ppm2=4.361 assign ( resid 107 and name HN ) ( resid 13 and name HA or resid 14 and name HA or resid 54 and name HA or resid 59 and name HA or resid 86 and name HA or resid 89 and name HA or resid 92 and name HA or resid 106 and name HA ) 3.0 0.6 0.6 volume=1.625 peak=1306 ppm1=7.749 ppm2=4.348 assign ( resid 55 and name HN ) ( resid 9 and name HA or resid 35 and name HB2 or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 86 and name HA or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) 3.5 0.7 0.7 volume=0.618 peak=1307 ppm1=7.320 ppm2=4.337 assign ( resid 4 and name HE1 or resid 85 and name HN or resid 88 and name HN or resid 107 and name HN ) ( resid 3 and name HA or resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.3 0.7 0.7 volume=0.773 peak=1308 ppm1=7.783 ppm2=4.282 assign ( resid 57 and name HN ) ( resid 3 and name HA or resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.2 0.6 0.6 volume=1.080 peak=1309 ppm1=7.653 ppm2=4.286 assign ( resid 18 and name HN or resid 32 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.7 0.7 0.7 volume=0.434 peak=1310 ppm1=8.625 ppm2=4.268 assign ( resid 82 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.6 0.7 0.7 volume=0.535 peak=1311 ppm1=9.254 ppm2=4.260 assign ( resid 81 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA ) 3.6 0.7 0.7 volume=0.482 peak=1312 ppm1=8.438 ppm2=4.258 assign ( resid 61 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.7 0.7 0.7 volume=0.451 peak=1313 ppm1=8.176 ppm2=4.262 assign ( resid 77 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.3 0.7 0.7 volume=0.899 peak=1314 ppm1=8.056 ppm2=4.260 assign ( resid 80 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA ) 3.2 0.6 0.6 volume=0.921 peak=1315 ppm1=7.717 ppm2=4.257 assign ( resid 79 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA ) 3.1 0.6 0.6 volume=1.208 peak=1316 ppm1=7.626 ppm2=4.258 assign ( resid 29 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA ) 3.7 0.7 0.7 volume=0.424 peak=1317 ppm1=7.532 ppm2=4.257 assign ( resid 20 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA ) 3.4 0.7 0.7 volume=0.647 peak=1318 ppm1=7.984 ppm2=4.247 assign ( resid 28 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA ) 2.9 0.6 0.6 volume=1.897 peak=1319 ppm1=7.917 ppm2=4.254 assign ( resid 32 and name HN ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.6 0.7 0.7 volume=0.515 peak=1320 ppm1=8.623 ppm2=4.201 assign ( resid 20 and name HN ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 81 and name HA or resid 102 and name HA ) 3.3 0.7 0.7 volume=0.784 peak=1321 ppm1=7.988 ppm2=4.183 assign ( resid 27 and name HN ) ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) 3.4 0.7 0.7 volume=0.681 peak=1322 ppm1=7.183 ppm2=4.121 assign ( resid 25 and name HN ) ( resid 24 and name HA or resid 52 and name HA2 or resid 80 and name HA2 or resid 87 and name HD2 ) 3.5 0.7 0.7 volume=0.574 peak=1323 ppm1=8.398 ppm2=4.116 assign ( resid 81 and name HN ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 31 and name HD2 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 87 and name HD2 ) 3.7 0.7 0.7 volume=0.439 peak=1324 ppm1=8.447 ppm2=4.090 assign ( resid 80 and name HN ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 ) 3.1 0.6 0.6 volume=1.301 peak=1325 ppm1=7.719 ppm2=4.080 assign ( resid 30 and name HN ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 2.8 0.6 0.6 volume=2.170 peak=1326 ppm1=8.015 ppm2=4.063 assign ( resid 50 and name HN or resid 56 and name HN ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.3 0.7 0.7 volume=0.801 peak=1327 ppm1=7.854 ppm2=4.063 assign ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN or resid 107 and name HN ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.5 0.7 0.7 volume=0.559 peak=1328 ppm1=7.739 ppm2=4.068 assign ( resid 29 and name HN ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.3 0.7 0.7 volume=0.802 peak=1329 ppm1=7.529 ppm2=4.065 assign ( resid 27 and name HN ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.6 0.7 0.7 volume=0.511 peak=1330 ppm1=7.183 ppm2=4.065 assign ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 71 and name HZ or resid 101 and name HZ ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.1 0.6 0.6 volume=1.593 peak=1331 ppm1=7.320 ppm2=4.059 assign ( resid 88 and name HN ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.4 0.7 0.7 volume=0.649 peak=1332 ppm1=7.800 ppm2=4.044 assign ( resid 68 and name HD21 or resid 107 and name HN ) ( resid 0 and name HA2 or resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.4 0.7 0.7 volume=0.731 peak=1333 ppm1=7.752 ppm2=4.042 assign ( resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) ( resid 2 and name HB2 or resid 31 and name HD3 or resid 49 and name HA or resid 80 and name HA1 or resid 93 and name HA2 or resid 93 and name HA1 ) 3.6 0.7 0.7 volume=0.492 peak=1334 ppm1=7.856 ppm2=3.944 assign ( resid 50 and name HN or resid 56 and name HN ) ( resid 1 and name HB2 or resid 1 and name HB3 or resid 2 and name HB3 or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 94 and name HB3 ) 3.4 0.7 0.7 volume=0.677 peak=1335 ppm1=7.855 ppm2=3.891 assign ( resid 71 and name HD# ) ( resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 3.7 0.7 0.7 volume=0.799 peak=1336 ppm1=6.933 ppm2=3.709 assign ( resid 43 and name HN ) ( resid 15 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.5 0.7 0.7 volume=0.539 peak=1337 ppm1=8.136 ppm2=3.603 assign ( resid 72 and name HD# ) ( resid 15 and name HD3 or resid 43 and name HA ) 4.0 0.8 0.8 volume=0.561 peak=1338 ppm1=6.972 ppm2=3.599 assign ( resid 23 and name HN ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.6 0.7 0.7 volume=0.493 peak=1339 ppm1=9.604 ppm2=3.483 assign ( resid 25 and name HN ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.7 0.7 0.7 volume=0.432 peak=1340 ppm1=8.374 ppm2=3.478 assign ( resid 68 and name HN ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.7 0.7 0.7 volume=0.432 peak=1341 ppm1=8.163 ppm2=3.461 assign ( resid 75 and name HN ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.7 0.7 0.7 volume=0.429 peak=1342 ppm1=8.148 ppm2=3.457 assign ( resid 67 and name HN ) ( resid 13 and name HE2 or resid 30 and name HB3 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 or resid 82 and name HA ) 3.5 0.7 0.7 volume=0.588 peak=1343 ppm1=8.485 ppm2=3.198 assign ( resid 33 and name HN ) ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.2 0.6 0.6 volume=0.982 peak=1344 ppm1=7.656 ppm2=3.121 assign ( resid 27 and name HN ) ( resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 83 and name HE3 or resid 83 and name HE2 ) 2.9 0.6 0.6 volume=1.967 peak=1345 ppm1=7.182 ppm2=2.935 assign ( resid 49 and name HN ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.5 0.7 0.7 volume=0.591 peak=1346 ppm1=9.183 ppm2=2.871 assign ( resid 69 and name HN ) ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 ) 3.5 0.7 0.7 volume=0.607 peak=1347 ppm1=8.492 ppm2=2.674 assign ( resid 85 and name HN ) ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 3.3 0.7 0.7 volume=0.797 peak=1348 ppm1=7.784 ppm2=2.668 assign ( resid 78 and name HN ) ( resid 7 and name HB2 or resid 23 and name HB2 or resid 58 and name HB2 or resid 71 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 98 and name HB2 ) 3.5 0.7 0.7 volume=0.623 peak=1349 ppm1=8.205 ppm2=2.641 assign ( resid 34 and name HN ) ( resid 10 and name HG3 or resid 34 and name HB3 ) 3.6 0.7 0.7 volume=0.532 peak=1350 ppm1=8.471 ppm2=2.541 assign ( resid 27 and name HN ) ( resid 27 and name HB3 or resid 33 and name HB3 or resid 57 and name HB3 ) 2.9 0.6 0.6 volume=1.881 peak=1351 ppm1=7.181 ppm2=2.498 assign ( resid 9 and name HN or resid 58 and name HN ) ( resid 14 and name HG2 or resid 14 and name HG3 or resid 27 and name HB3 or resid 33 and name HB3 or resid 57 and name HB3 ) 3.6 0.7 0.7 volume=0.465 peak=1352 ppm1=8.556 ppm2=2.486 assign ( resid 14 and name HN or resid 63 and name HN ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 33 and name HB3 or resid 57 and name HB3 or resid 69 and name HB2 ) 3.6 0.7 0.7 volume=0.493 peak=1353 ppm1=8.382 ppm2=2.463 assign ( resid 71 and name HE# or resid 74 and name HD1 or resid 74 and name HH2 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.3 0.7 0.7 volume=1.016 peak=1354 ppm1=7.275 ppm2=2.441 assign ( resid 10 and name HN ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.6 0.7 0.7 volume=0.500 peak=1355 ppm1=8.341 ppm2=2.429 assign ( resid 14 and name HN or resid 48 and name HN or resid 63 and name HN ) ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.6 0.7 0.7 volume=0.495 peak=1356 ppm1=8.383 ppm2=2.417 assign ( resid 47 and name HN ) ( resid 13 and name HB2 or resid 18 and name HG3 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 ) 3.5 0.7 0.7 volume=0.594 peak=1357 ppm1=8.813 ppm2=2.336 assign ( resid 14 and name HN or resid 48 and name HN ) ( resid 13 and name HB2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 ) 3.6 0.7 0.7 volume=0.523 peak=1358 ppm1=8.385 ppm2=2.326 assign ( resid 81 and name HN ) ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.5 0.7 0.7 volume=0.635 peak=1359 ppm1=8.442 ppm2=2.145 assign ( resid 79 and name HN ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 3.6 0.7 0.7 volume=0.506 peak=1360 ppm1=7.628 ppm2=2.077 assign ( resid 41 and name HN ) ( resid 12 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 56 and name HB2 ) 3.5 0.7 0.7 volume=0.585 peak=1361 ppm1=7.651 ppm2=2.041 assign ( resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN ) ( resid 12 and name HB2 or resid 25 and name HB3 or resid 39 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 or resid 65 and name HB ) 3.5 0.7 0.7 volume=0.600 peak=1362 ppm1=7.646 ppm2=2.021 assign ( resid 50 and name HN or resid 56 and name HN ) ( resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.6 0.7 0.7 volume=0.513 peak=1363 ppm1=7.853 ppm2=2.010 assign ( resid 71 and name HD# ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 4.0 0.8 0.8 volume=0.516 peak=1364 ppm1=6.935 ppm2=1.984 assign ( resid 88 and name HN ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.2 0.6 0.6 volume=1.071 peak=1365 ppm1=7.798 ppm2=1.965 assign ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) 3.5 0.7 0.7 volume=0.628 peak=1366 ppm1=8.887 ppm2=1.946 assign ( resid 88 and name HN ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) 3.2 0.6 0.6 volume=0.985 peak=1367 ppm1=7.800 ppm2=1.948 assign ( resid 44 and name HN or resid 88 and name HE ) ( resid 5 and name HB2 or resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) 3.5 0.7 0.7 volume=0.605 peak=1368 ppm1=7.611 ppm2=1.944 assign ( resid 72 and name HD# ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 89 and name HB or resid 102 and name HB3 ) 4.0 0.8 0.8 volume=0.522 peak=1369 ppm1=6.975 ppm2=1.923 assign ( resid 88 and name HN ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) 3.4 0.7 0.7 volume=0.681 peak=1370 ppm1=7.801 ppm2=1.881 assign ( resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) ( resid 3 and name HB3 or resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 104 and name HB2 or resid 105 and name HB3 ) 3.7 0.7 0.7 volume=0.537 peak=1371 ppm1=6.972 ppm2=1.791 assign ( resid 72 and name HD# ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 4.0 0.8 0.8 volume=0.530 peak=1372 ppm1=6.971 ppm2=1.778 assign ( resid 50 and name HN or resid 56 and name HN ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.5 0.7 0.7 volume=0.547 peak=1373 ppm1=7.850 ppm2=1.765 assign ( resid 81 and name HN ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.5 0.7 0.7 volume=0.603 peak=1374 ppm1=8.440 ppm2=1.753 assign ( resid 80 and name HN ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.6 0.7 0.7 volume=0.479 peak=1375 ppm1=7.720 ppm2=1.749 assign ( resid 79 and name HN ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 2.8 0.6 0.6 volume=2.164 peak=1376 ppm1=7.627 ppm2=1.752 assign ( resid 3 and name HN or resid 10 and name HN or resid 14 and name HN or resid 35 and name HN ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 31 and name HG2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.6 0.7 0.7 volume=0.459 peak=1377 ppm1=8.367 ppm2=1.738 assign ( resid 38 and name HN ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.5 0.7 0.7 volume=0.611 peak=1378 ppm1=8.486 ppm2=1.675 assign ( resid 79 and name HN ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.3 0.7 0.7 volume=0.803 peak=1379 ppm1=7.627 ppm2=1.676 assign ( resid 72 and name HE# ) ( resid 8 and name HG or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.7 0.7 0.7 volume=0.791 peak=1380 ppm1=6.888 ppm2=1.665 assign ( resid 79 and name HN ) ( resid 8 and name HG or resid 15 and name HG3 or resid 25 and name HG2 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HB3 or resid 92 and name HG or resid 92 and name HB2 or resid 97 and name HG or resid 97 and name HB2 ) 3.5 0.7 0.7 volume=0.565 peak=1381 ppm1=7.626 ppm2=1.623 assign ( resid 83 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.7 0.7 0.7 volume=0.439 peak=1382 ppm1=7.195 ppm2=1.589 assign ( resid 61 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.5 0.7 0.7 volume=0.585 peak=1383 ppm1=8.172 ppm2=1.570 assign ( resid 44 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.4 0.7 0.7 volume=0.674 peak=1384 ppm1=7.604 ppm2=1.574 assign ( resid 29 and name HN or resid 54 and name HE22 ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.2 0.6 0.6 volume=1.089 peak=1385 ppm1=7.530 ppm2=1.571 assign ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) ( resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 ) 3.5 0.7 0.7 volume=0.554 peak=1386 ppm1=8.382 ppm2=1.556 assign ( resid 72 and name HE# ) ( resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HB3 or resid 97 and name HB3 ) 3.5 0.7 0.7 volume=1.080 peak=1387 ppm1=6.889 ppm2=1.557 assign ( resid 4 and name HD2 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 72 and name HE# or resid 95 and name HD21 ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.7 0.7 0.7 volume=0.463 peak=1388 ppm1=6.897 ppm2=1.504 assign ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.5 0.7 0.7 volume=0.596 peak=1389 ppm1=8.131 ppm2=1.460 assign ( resid 41 and name HN ) ( resid 22 and name HD1# or resid 40 and name HB3 or resid 87 and name HG3 or resid 89 and name HG13 ) 3.6 0.7 0.7 volume=0.556 peak=1390 ppm1=7.647 ppm2=1.379 assign ( resid 29 and name HN ) ( resid 22 and name HD1# or resid 55 and name HB# ) 3.6 0.7 0.7 volume=1.553 peak=1391 ppm1=7.530 ppm2=1.354 assign ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) ( resid 12 and name HG or resid 55 and name HB# or resid 59 and name HG12 ) 3.8 0.8 0.8 volume=0.482 peak=1392 ppm1=8.898 ppm2=1.325 assign ( resid 9 and name HN or resid 58 and name HN ) ( resid 9 and name HG13 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HG2 or resid 42 and name HG2 ) 3.8 0.8 0.8 volume=0.443 peak=1393 ppm1=8.547 ppm2=1.114 assign ( resid 20 and name HN or resid 30 and name HN or resid 101 and name HN ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 4.1 0.8 0.8 volume=0.433 peak=1394 ppm1=8.003 ppm2=1.020 assign ( resid 43 and name HN ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 70 and name HB# ) 4.0 0.8 0.8 volume=0.498 peak=1395 ppm1=8.133 ppm2=1.010 assign ( resid 81 and name HN ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.4 0.9 0.9 volume=0.425 peak=1396 ppm1=8.437 ppm2=0.915 assign ( resid 92 and name HN ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.4 0.9 0.9 volume=0.436 peak=1397 ppm1=8.208 ppm2=0.904 assign ( resid 41 and name HN ) ( resid 5 and name HB2 or resid 13 and name HG2 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) 3.9 0.8 0.8 volume=0.325 peak=1398 ppm1=7.648 ppm2=1.899 assign ( resid 78 and name HN ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.8 0.8 0.8 volume=0.373 peak=1399 ppm1=8.206 ppm2=1.753 assign ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) ( resid 17 and name HB or resid 54 and name HB2 or resid 75 and name HB3 or resid 75 and name HB2 ) 3.8 0.8 0.8 volume=0.337 peak=1400 ppm1=8.628 ppm2=2.255 assign ( resid 11 and name HN ) ( resid 10 and name HG3 or resid 34 and name HB3 ) 3.8 0.8 0.8 volume=0.362 peak=1401 ppm1=8.762 ppm2=2.546 assign ( resid 71 and name HN ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 3.8 0.8 0.8 volume=0.347 peak=1402 ppm1=8.873 ppm2=2.843 assign ( resid 72 and name HN ) ( resid 15 and name HA or resid 42 and name HA or resid 87 and name HD3 ) 3.7 0.7 0.7 volume=0.404 peak=1403 ppm1=9.334 ppm2=3.704 assign ( resid 22 and name HA ) ( resid 5 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 60 and name HA or resid 79 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.8 0.8 0.8 volume=0.375 peak=1404 ppm1=6.023 ppm2=4.228 assign ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) ( resid 22 and name HA ) 3.7 0.7 0.7 volume=0.408 peak=1405 ppm1=8.889 ppm2=6.030 assign ( resid 24 and name HN or resid 40 and name HN or resid 42 and name HN ) ( resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 95 and name HD21 ) 3.7 0.7 0.7 volume=0.495 peak=1406 ppm1=9.001 ppm2=6.931 assign ( resid 82 and name HN ) ( resid 27 and name HN or resid 57 and name HD21 or resid 83 and name HN ) 3.0 0.6 0.6 volume=1.398 peak=1407 ppm1=9.252 ppm2=7.195 assign ( resid 26 and name HN ) ( resid 27 and name HN or resid 57 and name HD21 or resid 83 and name HN ) 3.0 0.6 0.6 volume=1.578 peak=1408 ppm1=8.294 ppm2=7.180 assign ( resid 9 and name HN or resid 58 and name HN ) ( resid 8 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 3.8 0.8 0.8 volume=0.335 peak=1409 ppm1=8.547 ppm2=7.947 assign ( resid 7 and name HN or resid 98 and name HN ) ( resid 8 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 3.8 0.8 0.8 volume=0.379 peak=1410 ppm1=8.299 ppm2=7.949 assign ( resid 81 and name HN ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN ) 3.1 0.6 0.6 volume=1.256 peak=1411 ppm1=8.440 ppm2=7.718 assign ( resid 72 and name HN ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN ) 3.8 0.8 0.8 volume=0.365 peak=1412 ppm1=9.341 ppm2=7.649 assign ( resid 40 and name HN ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE ) 3.3 0.7 0.7 volume=0.812 peak=1413 ppm1=9.002 ppm2=7.647 assign ( resid 32 and name HN ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN ) 3.2 0.6 0.6 volume=0.936 peak=1414 ppm1=8.618 ppm2=7.654 assign ( resid 34 and name HN ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN ) 3.2 0.6 0.6 volume=1.069 peak=1415 ppm1=8.472 ppm2=7.655 assign ( resid 60 and name HN ) ( resid 6 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 75 and name HN ) 3.2 0.6 0.6 volume=1.017 peak=1416 ppm1=8.892 ppm2=8.173 assign ( resid 76 and name HN ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 68 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.0 0.6 0.6 volume=1.572 peak=1417 ppm1=9.433 ppm2=8.141 assign ( resid 76 and name HN ) ( resid 37 and name HN or resid 77 and name HN ) 3.2 0.6 0.6 volume=0.922 peak=1418 ppm1=9.436 ppm2=8.056 assign ( resid 18 and name HN ) ( resid 6 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 102 and name HN ) 3.3 0.7 0.7 volume=0.763 peak=1419 ppm1=8.623 ppm2=8.224 assign ( resid 67 and name HN or resid 69 and name HN ) ( resid 43 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 75 and name HN or resid 99 and name HN ) 2.9 0.6 0.6 volume=1.928 peak=1420 ppm1=8.490 ppm2=8.162 assign ( resid 36 and name HN ) ( resid 37 and name HN or resid 77 and name HN ) 3.3 0.7 0.7 volume=0.775 peak=1421 ppm1=8.724 ppm2=8.056 assign ( resid 22 and name HN ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.8 0.8 0.8 volume=0.347 peak=1422 ppm1=9.287 ppm2=8.492 assign ( resid 82 and name HN ) ( resid 81 and name HN ) 3.0 0.6 0.6 volume=1.400 peak=1423 ppm1=9.252 ppm2=8.440 assign ( resid 9 and name HN or resid 58 and name HN ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.8 0.8 0.8 volume=0.371 peak=1424 ppm1=8.555 ppm2=8.885 assign ( resid 25 and name HN or resid 48 and name HN ) ( resid 47 and name HN or resid 86 and name HN or resid 89 and name HN ) 3.6 0.7 0.7 volume=0.467 peak=1425 ppm1=8.388 ppm2=8.806 assign ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) ( resid 22 and name HN ) 3.8 0.8 0.8 volume=0.335 peak=1426 ppm1=8.489 ppm2=9.294 assign ( resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) ( resid 73 and name HN ) 3.9 0.8 0.8 volume=0.393 peak=1427 ppm1=6.974 ppm2=9.569 assign ( resid 4 and name HE1 or resid 85 and name HN or resid 88 and name HN ) ( resid 11 and name HN or resid 36 and name HN or resid 89 and name HN ) 3.7 0.7 0.7 volume=0.408 peak=1428 ppm1=7.799 ppm2=8.767 assign ( resid 37 and name HN ) ( resid 36 and name HN ) 3.5 0.7 0.7 volume=0.626 peak=1429 ppm1=8.058 ppm2=8.730 assign ( resid 30 and name HN ) ( resid 10 and name HN or resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.7 0.7 0.7 volume=0.409 peak=1430 ppm1=8.018 ppm2=8.378 assign ( resid 8 and name HN ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.7 0.7 0.7 volume=0.387 peak=1431 ppm1=7.946 ppm2=8.546 assign ( resid 3 and name HA or resid 17 and name HA or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.8 0.8 0.8 volume=0.385 peak=1432 ppm1=4.275 ppm2=8.485 assign ( resid 15 and name HD2 or resid 24 and name HA or resid 31 and name HD2 or resid 80 and name HA2 or resid 87 and name HD2 ) ( resid 18 and name HE21 or resid 80 and name HN ) 3.7 0.7 0.7 volume=0.449 peak=1433 ppm1=4.098 ppm2=7.716 assign ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 ) ( resid 29 and name HN or resid 54 and name HE22 or resid 74 and name HE3 or resid 74 and name HZ2 ) 3.8 0.8 0.8 volume=0.341 peak=1434 ppm1=4.070 ppm2=7.530 assign ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 ) ( resid 6 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 75 and name HN ) 3.7 0.7 0.7 volume=0.436 peak=1435 ppm1=3.185 ppm2=8.170 assign ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 66 and name HA1 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 ) ( resid 73 and name HN ) 3.7 0.7 0.7 volume=0.443 peak=1436 ppm1=3.174 ppm2=9.566 assign ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 75 and name HG3 ) ( resid 47 and name HN or resid 86 and name HN or resid 89 and name HN ) 3.7 0.7 0.7 volume=0.421 peak=1437 ppm1=2.415 ppm2=8.816 assign ( resid 13 and name HB2 or resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.7 0.7 0.7 volume=0.448 peak=1438 ppm1=2.322 ppm2=8.545 assign ( resid 13 and name HB2 or resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 10 and name HN or resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.7 0.7 0.7 volume=0.388 peak=1439 ppm1=2.324 ppm2=8.381 assign ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.6 0.7 0.7 volume=0.464 peak=1440 ppm1=2.665 ppm2=8.489 assign ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 ) ( resid 20 and name HN or resid 30 and name HN ) 3.5 0.7 0.7 volume=0.566 peak=1441 ppm1=3.180 ppm2=8.014 assign ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 ) ( resid 20 and name HN or resid 30 and name HN ) 3.5 0.7 0.7 volume=0.565 peak=1442 ppm1=3.171 ppm2=8.014 assign ( resid 7 and name HB2 or resid 58 and name HB2 or resid 77 and name HB2 or resid 77 and name HB3 or resid 98 and name HB2 ) ( resid 37 and name HN or resid 77 and name HN ) 3.2 0.6 0.6 volume=0.976 peak=1443 ppm1=2.644 ppm2=8.056 assign ( resid 7 and name HB2 or resid 58 and name HB2 or resid 77 and name HB2 or resid 77 and name HB3 or resid 98 and name HB2 ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.4 0.7 0.7 volume=0.648 peak=1444 ppm1=2.644 ppm2=8.203 assign ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 ) ( resid 46 and name HN ) 3.7 0.7 0.7 volume=0.431 peak=1445 ppm1=2.731 ppm2=9.746 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 82 and name HN ) 3.7 0.7 0.7 volume=0.419 peak=1446 ppm1=1.871 ppm2=9.254 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 22 and name HN ) 3.5 0.7 0.7 volume=0.576 peak=1447 ppm1=1.578 ppm2=9.288 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 22 and name HN ) 3.7 0.7 0.7 volume=0.450 peak=1448 ppm1=1.510 ppm2=9.291 assign ( resid 55 and name HB# or resid 59 and name HG12 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.9 0.8 0.8 volume=0.441 peak=1449 ppm1=1.330 ppm2=8.890 assign ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.7 0.7 0.7 volume=0.433 peak=1450 ppm1=1.413 ppm2=8.887 assign ( resid 22 and name HD1# or resid 55 and name HB# or resid 59 and name HG12 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 4.0 0.8 0.8 volume=0.483 peak=1451 ppm1=1.347 ppm2=8.883 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.5 0.7 0.7 volume=0.564 peak=1452 ppm1=1.461 ppm2=8.545 assign ( resid 13 and name HG3 or resid 21 and name HB2 or resid 29 and name HB2 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.6 0.7 0.7 volume=0.489 peak=1453 ppm1=1.556 ppm2=8.551 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.5 0.7 0.7 volume=0.560 peak=1454 ppm1=1.582 ppm2=8.494 assign ( resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HB3 or resid 97 and name HB3 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.6 0.7 0.7 volume=0.477 peak=1455 ppm1=1.565 ppm2=8.496 assign ( resid 67 and name HB ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.2 0.6 0.6 volume=1.033 peak=1456 ppm1=2.174 ppm2=8.488 assign ( resid 75 and name HG2 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 68 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.7 0.7 0.7 volume=0.405 peak=1457 ppm1=2.381 ppm2=8.145 assign ( resid 75 and name HG3 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.5 0.7 0.7 volume=0.610 peak=1458 ppm1=2.417 ppm2=8.138 assign ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) ( resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 79 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 3.4 0.7 0.7 volume=0.679 peak=1459 ppm1=1.676 ppm2=7.627 assign ( resid 8 and name HG or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB3 ) ( resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 3.7 0.7 0.7 volume=0.451 peak=1460 ppm1=1.660 ppm2=7.628 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) ( resid 44 and name HN or resid 79 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 3.4 0.7 0.7 volume=0.706 peak=1461 ppm1=1.574 ppm2=7.606 assign ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) ( resid 71 and name HE# or resid 74 and name HD1 or resid 74 and name HH2 or resid 101 and name HZ ) 3.8 0.8 0.8 volume=0.460 peak=1462 ppm1=2.152 ppm2=7.278 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 71 and name HE# or resid 74 and name HD1 or resid 74 and name HH2 ) 3.5 0.7 0.7 volume=0.685 peak=1463 ppm1=2.440 ppm2=7.276 assign ( resid 12 and name HG or resid 83 and name HG3 ) ( resid 27 and name HN or resid 57 and name HD21 or resid 83 and name HN ) 3.6 0.7 0.7 volume=0.458 peak=1464 ppm1=1.274 ppm2=7.197 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) ( resid 23 and name HN ) 4.0 0.8 0.8 volume=0.554 peak=1465 ppm1=1.035 ppm2=9.599 assign ( resid 10 and name HG3 or resid 34 and name HB3 ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 3.4 0.7 0.7 volume=0.701 peak=1466 ppm1=2.536 ppm2=4.487 assign ( resid 26 and name HB2 or resid 33 and name HB2 ) ( resid 33 and name HA ) 2.9 0.6 0.6 volume=1.807 peak=1467 ppm1=3.263 ppm2=4.872 assign ( resid 15 and name HD3 or resid 43 and name HA ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.1 0.6 0.6 volume=1.293 peak=1468 ppm1=3.588 ppm2=4.366 assign ( resid 3 and name HD3 or resid 3 and name HD2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.2 0.6 0.6 volume=0.985 peak=1469 ppm1=3.149 ppm2=4.268 assign ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.4 0.7 0.7 volume=0.752 peak=1470 ppm1=3.138 ppm2=4.264 assign ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) ( resid 43 and name HG2# ) 4.0 0.8 0.8 volume=0.752 peak=1471 ppm1=1.716 ppm2=-0.124 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 60 and name HG13 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 43 and name HG2# ) 4.0 0.8 0.8 volume=0.836 peak=1472 ppm1=1.583 ppm2=-0.124 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 43 and name HG2# ) 3.7 0.7 0.7 volume=1.212 peak=1473 ppm1=1.523 ppm2=-0.123 assign ( resid 15 and name HD3 or resid 43 and name HA ) ( resid 43 and name HG2# ) 3.8 0.8 0.8 volume=1.069 peak=1474 ppm1=3.602 ppm2=-0.123 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 70 and name HB# ) ( resid 43 and name HG2# ) 3.9 0.8 0.8 volume=1.678 peak=1475 ppm1=1.011 ppm2=-0.122 assign ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) ( resid 4 and name HA or resid 7 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.5 0.7 0.7 volume=0.611 peak=1476 ppm1=1.698 ppm2=4.571 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) ( resid 2 and name HA or resid 4 and name HA or resid 7 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.3 0.7 0.7 volume=0.805 peak=1477 ppm1=1.446 ppm2=4.569 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 2 and name HA or resid 34 and name HA or resid 69 and name HA or resid 70 and name HA ) 3.5 0.7 0.7 volume=0.613 peak=1478 ppm1=1.585 ppm2=4.511 assign ( resid 22 and name HD1# ) ( resid 2 and name HA or resid 34 and name HA or resid 69 and name HA or resid 70 and name HA ) 3.6 0.7 0.7 volume=1.474 peak=1479 ppm1=1.356 ppm2=4.511 assign ( resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 3.0 0.6 0.6 volume=1.334 peak=1480 ppm1=1.741 ppm2=4.464 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 15 and name HG3 or resid 25 and name HG2 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HG or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB2 ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 3.1 0.6 0.6 volume=1.222 peak=1481 ppm1=1.614 ppm2=4.463 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 70 and name HB# ) ( resid 2 and name HA or resid 34 and name HA or resid 69 and name HA or resid 70 and name HA or resid 100 and name HA ) 3.1 0.6 0.6 volume=2.383 peak=1482 ppm1=1.011 ppm2=4.513 assign ( resid 26 and name HB3 or resid 57 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.5 0.7 0.7 volume=0.610 peak=1483 ppm1=2.834 ppm2=4.060 assign ( resid 27 and name HB3 or resid 57 and name HB3 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA ) 3.4 0.7 0.7 volume=0.648 peak=1484 ppm1=2.496 ppm2=4.252 assign ( resid 27 and name HB3 or resid 57 and name HB3 ) ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) 3.5 0.7 0.7 volume=0.591 peak=1485 ppm1=2.500 ppm2=4.120 assign ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.2 0.6 0.6 volume=1.080 peak=1486 ppm1=1.954 ppm2=4.046 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HG2 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.5 0.7 0.7 volume=0.626 peak=1487 ppm1=1.886 ppm2=4.042 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 29 and name HA or resid 35 and name HB3 or resid 53 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) 2.7 0.5 0.5 volume=2.787 peak=1488 ppm1=1.850 ppm2=4.032 assign ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) ( resid 15 and name HA or resid 42 and name HA or resid 87 and name HD3 ) 3.2 0.6 0.6 volume=0.966 peak=1489 ppm1=1.981 ppm2=3.700 assign ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 60 and name HB or resid 81 and name HB2 or resid 87 and name HB3 ) ( resid 15 and name HD3 or resid 43 and name HA ) 3.3 0.7 0.7 volume=0.835 peak=1490 ppm1=2.129 ppm2=3.595 assign ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) ( resid 15 and name HD3 or resid 43 and name HA ) 3.5 0.7 0.7 volume=0.693 peak=1491 ppm1=2.145 ppm2=3.587 assign ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 98 and name HB2 ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.4 0.7 0.7 volume=0.739 peak=1492 ppm1=2.620 ppm2=3.477 assign ( resid 7 and name HB3 or resid 23 and name HB2 or resid 40 and name HE2 or resid 71 and name HB3 or resid 72 and name HB2 ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.3 0.7 0.7 volume=0.814 peak=1493 ppm1=2.602 ppm2=3.478 assign ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) ( resid 58 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 ) 3.3 0.7 0.7 volume=0.864 peak=1494 ppm1=2.657 ppm2=3.350 assign ( resid 3 and name HB3 or resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 104 and name HB2 or resid 105 and name HB3 ) ( resid 26 and name HB2 or resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 ) 3.1 0.6 0.6 volume=1.301 peak=1495 ppm1=1.787 ppm2=3.300 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.4 0.7 0.7 volume=0.674 peak=1496 ppm1=1.464 ppm2=3.368 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.5 0.7 0.7 volume=0.558 peak=1497 ppm1=1.450 ppm2=3.366 assign ( resid 12 and name HD1# ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 81 and name HB2 ) 4.1 0.8 0.8 volume=0.775 peak=1498 ppm1=0.618 ppm2=2.122 assign ( resid 59 and name HD1# ) ( resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# or resid 65 and name HG1# ) 3.5 0.7 0.7 volume=2.462 peak=1499 ppm1=0.582 ppm2=1.067 assign ( resid 59 and name HD1# ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 3.7 0.7 0.7 volume=2.491 peak=1500 ppm1=0.580 ppm2=1.014 assign ( resid 12 and name HD1# ) ( resid 12 and name HG or resid 59 and name HG12 or resid 83 and name HG3 ) 3.2 0.6 0.6 volume=2.737 peak=1501 ppm1=0.617 ppm2=1.302 assign ( resid 43 and name HG1# ) ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) 3.6 0.7 0.7 volume=1.422 peak=1502 ppm1=0.450 ppm2=1.525 assign ( resid 21 and name HD1# or resid 59 and name HD1# ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.6 0.7 0.7 volume=1.451 peak=1503 ppm1=0.590 ppm2=1.580 assign ( resid 21 and name HD1# or resid 59 and name HD1# ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) 3.2 0.6 0.6 volume=2.809 peak=1504 ppm1=0.592 ppm2=1.513 assign ( resid 45 and name HG1# ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 3.9 0.8 0.8 volume=0.861 peak=1505 ppm1=0.638 ppm2=2.070 assign ( resid 8 and name HG or resid 15 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HB2 or resid 97 and name HG or resid 97 and name HB2 ) ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 2.8 0.6 0.6 volume=2.160 peak=1506 ppm1=1.624 ppm2=2.143 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 2.9 0.6 0.6 volume=2.135 peak=1507 ppm1=1.516 ppm2=2.145 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.1 0.6 0.6 volume=1.366 peak=1508 ppm1=1.573 ppm2=2.129 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 15 and name HG3 or resid 25 and name HG2 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HG or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB2 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 3.0 0.6 0.6 volume=1.424 peak=1509 ppm1=1.613 ppm2=2.088 assign ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 3.4 0.7 0.7 volume=0.741 peak=1510 ppm1=1.488 ppm2=2.091 assign ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) ( resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 102 and name HG3 ) 2.9 0.6 0.6 volume=2.483 peak=1511 ppm1=1.088 ppm2=2.167 assign ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 ) ( resid 15 and name HG2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 87 and name HB3 or resid 102 and name HG3 ) 3.0 0.6 0.6 volume=1.844 peak=1512 ppm1=1.245 ppm2=2.173 assign ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 45 and name HG1# ) 3.4 0.7 0.7 volume=1.998 peak=1513 ppm1=2.419 ppm2=0.633 assign ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HG2# ) 3.5 0.7 0.7 volume=1.368 peak=1514 ppm1=4.266 ppm2=0.945 assign ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA ) ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 107 and name HG1# ) 3.6 0.7 0.7 volume=1.401 peak=1515 ppm1=4.259 ppm2=0.872 assign ( resid 9 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 92 and name HD2# or resid 97 and name HD2# ) 3.8 0.8 0.8 volume=1.000 peak=1516 ppm1=4.321 ppm2=0.838 assign ( resid 3 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 3.8 0.8 0.8 volume=0.615 peak=1517 ppm1=4.283 ppm2=0.775 assign ( resid 37 and name HA or resid 65 and name HA or resid 80 and name HA1 ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 3.1 0.6 0.6 volume=1.568 peak=1518 ppm1=3.999 ppm2=1.086 assign ( resid 37 and name HA or resid 65 and name HA ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 40 and name HD3 or resid 59 and name HG2# or resid 65 and name HG1# or resid 70 and name HB# ) 3.4 0.7 0.7 volume=1.273 peak=1519 ppm1=4.001 ppm2=1.043 assign ( resid 37 and name HA or resid 65 and name HA ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 65 and name HG2# ) 3.6 0.7 0.7 volume=1.103 peak=1520 ppm1=4.000 ppm2=0.968 assign ( resid 37 and name HA or resid 65 and name HA or resid 80 and name HA1 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 ) 3.3 0.7 0.7 volume=1.008 peak=1521 ppm1=3.997 ppm2=1.245 assign ( resid 3 and name HA or resid 17 and name HA or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.1 0.6 0.6 volume=1.129 peak=1522 ppm1=4.274 ppm2=1.762 assign ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.3 0.7 0.7 volume=0.904 peak=1523 ppm1=4.264 ppm2=1.756 assign ( resid 3 and name HA or resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.3 0.7 0.7 volume=0.828 peak=1524 ppm1=4.286 ppm2=1.998 assign ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 56 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.2 0.6 0.6 volume=0.966 peak=1525 ppm1=4.294 ppm2=1.992 assign ( resid 3 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HG or resid 79 and name HB3 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.4 0.7 0.7 volume=0.693 peak=1526 ppm1=4.277 ppm2=1.703 assign ( resid 3 and name HA or resid 17 and name HA or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.5 0.7 0.7 volume=0.574 peak=1527 ppm1=4.271 ppm2=1.674 assign ( resid 9 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.4 0.7 0.7 volume=0.688 peak=1528 ppm1=4.328 ppm2=1.593 assign ( resid 3 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.5 0.7 0.7 volume=0.591 peak=1529 ppm1=4.277 ppm2=1.572 assign ( resid 29 and name HA or resid 35 and name HB3 or resid 53 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) 2.9 0.6 0.6 volume=1.832 peak=1530 ppm1=4.040 ppm2=1.857 assign ( resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) 3.4 0.7 0.7 volume=0.696 peak=1531 ppm1=4.043 ppm2=1.953 assign ( resid 37 and name HA or resid 65 and name HA ) ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.4 0.7 0.7 volume=0.669 peak=1532 ppm1=4.002 ppm2=1.997 assign ( resid 3 and name HA or resid 17 and name HA or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) 3.4 0.7 0.7 volume=0.682 peak=1533 ppm1=4.271 ppm2=1.868 assign ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 65 and name HG2# or resid 79 and name HD1# or resid 89 and name HG2# ) 3.2 0.6 0.6 volume=2.156 peak=1534 ppm1=3.120 ppm2=0.948 assign ( resid 43 and name HA or resid 50 and name HB2 ) ( resid 43 and name HG1# ) 3.8 0.8 0.8 volume=1.045 peak=1535 ppm1=3.606 ppm2=0.451 assign ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.2 0.6 0.6 volume=1.023 peak=1536 ppm1=2.871 ppm2=1.502 assign ( resid 26 and name HB2 or resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 89 and name HB or resid 102 and name HB3 ) 3.4 0.7 0.7 volume=0.668 peak=1537 ppm1=3.299 ppm2=1.920 assign ( resid 26 and name HB2 or resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) 3.4 0.7 0.7 volume=0.719 peak=1538 ppm1=3.299 ppm2=1.864 assign ( resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 104 and name HB2 or resid 105 and name HB2 or resid 105 and name HB3 ) 3.1 0.6 0.6 volume=1.109 peak=1539 ppm1=3.303 ppm2=1.786 assign ( resid 26 and name HB2 or resid 33 and name HB2 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 33 and name HB3 or resid 57 and name HB3 or resid 69 and name HB2 ) 2.8 0.6 0.6 volume=2.216 peak=1540 ppm1=3.267 ppm2=2.467 assign ( resid 6 and name HB2 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 82 and name HA ) ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.2 0.6 0.6 volume=1.036 peak=1541 ppm1=3.220 ppm2=2.421 assign ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 ) 3.2 0.6 0.6 volume=0.948 peak=1542 ppm1=3.133 ppm2=2.731 assign ( resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB3 ) 2.8 0.6 0.6 volume=2.324 peak=1543 ppm1=3.203 ppm2=2.724 assign ( resid 13 and name HE2 or resid 30 and name HB3 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB3 ) 2.8 0.6 0.6 volume=2.219 peak=1544 ppm1=3.191 ppm2=2.723 assign ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 ) ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 ) 3.1 0.6 0.6 volume=1.325 peak=1545 ppm1=3.170 ppm2=2.672 assign ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 27 and name HB3 or resid 33 and name HB3 or resid 57 and name HB3 ) 3.0 0.6 0.6 volume=1.586 peak=1546 ppm1=2.851 ppm2=2.488 assign ( resid 15 and name HD3 or resid 43 and name HA ) ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.4 0.7 0.7 volume=0.780 peak=1547 ppm1=3.591 ppm2=2.148 assign ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 40 and name HE2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 98 and name HB2 ) 3.4 0.7 0.7 volume=0.702 peak=1548 ppm1=3.476 ppm2=2.611 assign ( resid 31 and name HD3 or resid 49 and name HA or resid 93 and name HA2 or resid 93 and name HA1 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 3.5 0.7 0.7 volume=0.562 peak=1549 ppm1=3.949 ppm2=2.756 assign ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA ) ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 ) 3.5 0.7 0.7 volume=0.632 peak=1550 ppm1=3.869 ppm2=2.674 assign ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 17 and name HB or resid 54 and name HB2 or resid 75 and name HB3 or resid 75 and name HB2 ) 3.4 0.7 0.7 volume=0.751 peak=1551 ppm1=4.265 ppm2=2.254 assign ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 100 and name HB3 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 2.4 0.5 0.5 volume=6.165 peak=1552 ppm1=2.867 ppm2=3.002 assign ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 ) ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.4 0.7 0.7 volume=0.717 peak=1553 ppm1=2.744 ppm2=2.425 assign ( resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 87 and name HB3 or resid 102 and name HG3 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 ) 3.0 0.6 0.6 volume=1.901 peak=1554 ppm1=2.175 ppm2=1.245 assign ( resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 87 and name HB3 or resid 102 and name HG3 ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 2.9 0.6 0.6 volume=2.200 peak=1555 ppm1=2.172 ppm2=1.086 assign ( resid 13 and name HB2 or resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) 2.9 0.6 0.6 volume=1.855 peak=1556 ppm1=2.319 ppm2=1.858 assign ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.3 0.7 0.7 volume=0.832 peak=1557 ppm1=4.073 ppm2=4.367 assign ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 56 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.0 0.6 0.6 volume=1.368 peak=1558 ppm1=4.065 ppm2=4.304 assign ( resid 1 and name HB2 or resid 2 and name HB3 or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA ) ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) 3.1 0.6 0.6 volume=1.207 peak=1559 ppm1=3.871 ppm2=4.122 assign ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 52 and name HA1 or resid 78 and name HA or resid 94 and name HB2 ) ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) 3.2 0.6 0.6 volume=1.095 peak=1560 ppm1=3.847 ppm2=4.121 assign ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) ( resid 7 and name HA or resid 35 and name HA ) 3.5 0.7 0.7 volume=0.581 peak=1561 ppm1=4.067 ppm2=4.619 assign ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 64 and name HA ) 3.3 0.7 0.7 volume=0.799 peak=1562 ppm1=2.857 ppm2=5.047 assign ( resid 15 and name HG2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 87 and name HB3 or resid 102 and name HG3 ) ( resid 2 and name HA or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.5 0.7 0.7 volume=0.604 peak=1563 ppm1=2.170 ppm2=4.522 assign ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) ( resid 5 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.3 0.7 0.7 volume=0.823 peak=1564 ppm1=3.135 ppm2=4.215 assign ( resid 26 and name HB2 or resid 33 and name HB2 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.2 0.6 0.6 volume=0.918 peak=1565 ppm1=3.270 ppm2=4.062 assign ( resid 20 and name HA1 or resid 27 and name HB2 ) ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) 3.4 0.7 0.7 volume=0.675 peak=1566 ppm1=2.924 ppm2=4.120 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 12 and name HA or resid 28 and name HA2 or resid 87 and name HD3 ) 3.4 0.7 0.7 volume=0.638 peak=1567 ppm1=1.754 ppm2=3.741 assign ( resid 5 and name HG3 or resid 5 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 78 and name HB3 or resid 107 and name HB ) ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) 2.7 0.5 0.5 volume=2.962 peak=1568 ppm1=2.100 ppm2=4.118 assign ( resid 12 and name HB2 or resid 18 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 2.8 0.6 0.6 volume=2.456 peak=1569 ppm1=2.069 ppm2=4.064 assign ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) ( resid 3 and name HA or resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.1 0.6 0.6 volume=2.052 peak=1570 ppm1=0.775 ppm2=4.281 assign ( resid 8 and name HD2# or resid 9 and name HD1# or resid 92 and name HD2# or resid 97 and name HD2# ) ( resid 2 and name HA or resid 4 and name HA or resid 7 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.5 0.7 0.7 volume=1.789 peak=1571 ppm1=0.830 ppm2=4.569 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 65 and name HG2# ) ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.3 0.7 0.7 volume=2.342 peak=1572 ppm1=0.949 ppm2=3.126 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.0 0.6 0.6 volume=1.465 peak=1573 ppm1=1.986 ppm2=2.427 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 13 and name HB2 or resid 47 and name HG3 or resid 47 and name HG2 ) 2.9 0.6 0.6 volume=1.687 peak=1574 ppm1=1.860 ppm2=2.321 assign ( resid 5 and name HG3 or resid 5 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG2 ) 2.8 0.6 0.6 volume=2.159 peak=1575 ppm1=2.091 ppm2=2.374 assign ( resid 5 and name HG3 or resid 5 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) ( resid 13 and name HB2 or resid 18 and name HG3 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 ) 2.8 0.6 0.6 volume=2.425 peak=1576 ppm1=2.094 ppm2=2.339 assign ( resid 12 and name HB2 or resid 18 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) ( resid 13 and name HB2 or resid 18 and name HG3 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 ) 2.6 0.5 0.5 volume=3.545 peak=1577 ppm1=2.059 ppm2=2.341 assign ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 2.6 0.5 0.5 volume=3.252 peak=1578 ppm1=2.353 ppm2=2.068 assign ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 3.0 0.6 0.6 volume=1.554 peak=1579 ppm1=2.430 ppm2=1.979 assign ( resid 15 and name HG2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 87 and name HB3 or resid 102 and name HG3 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 2.9 0.6 0.6 volume=1.744 peak=1580 ppm1=2.168 ppm2=2.443 assign ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 2.9 0.6 0.6 volume=1.981 peak=1581 ppm1=2.151 ppm2=2.445 assign ( resid 9 and name HG13 or resid 39 and name HB3 or resid 40 and name HG2 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 2.6 0.5 0.5 volume=3.389 peak=1582 ppm1=1.113 ppm2=1.467 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 2.8 0.6 0.6 volume=4.038 peak=1583 ppm1=1.035 ppm2=1.577 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 70 and name HB# ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 2.9 0.6 0.6 volume=3.326 peak=1584 ppm1=1.014 ppm2=1.582 assign ( resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) ( resid 21 and name HD1# or resid 59 and name HD1# ) 3.4 0.7 0.7 volume=2.860 peak=1585 ppm1=1.071 ppm2=0.580 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 70 and name HB# ) ( resid 21 and name HD1# or resid 59 and name HD1# ) 3.6 0.7 0.7 volume=2.492 peak=1586 ppm1=1.012 ppm2=0.578 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 21 and name HD1# or resid 59 and name HD1# ) 3.5 0.7 0.7 volume=1.655 peak=1587 ppm1=1.576 ppm2=0.586 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 59 and name HD1# ) 3.3 0.7 0.7 volume=2.369 peak=1588 ppm1=1.516 ppm2=0.590 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 9 and name HG13 or resid 39 and name HB3 or resid 42 and name HG2 ) 2.8 0.6 0.6 volume=2.200 peak=1589 ppm1=1.986 ppm2=1.128 assign ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) ( resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# or resid 65 and name HG1# ) 3.2 0.6 0.6 volume=1.512 peak=1590 ppm1=1.950 ppm2=1.069 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 40 and name HD3 or resid 65 and name HG1# or resid 70 and name HB# ) 3.0 0.6 0.6 volume=2.482 peak=1591 ppm1=1.997 ppm2=1.041 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 65 and name HG2# ) 3.1 0.6 0.6 volume=2.451 peak=1592 ppm1=1.995 ppm2=0.966 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) ( resid 9 and name HG13 or resid 39 and name HB3 or resid 42 and name HG2 ) 3.0 0.6 0.6 volume=1.465 peak=1593 ppm1=1.773 ppm2=1.125 assign ( resid 17 and name HB or resid 75 and name HB3 ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HG2# ) 2.8 0.6 0.6 volume=6.931 peak=1594 ppm1=2.256 ppm2=0.941 assign ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 3.3 0.7 0.7 volume=2.973 peak=1595 ppm1=0.776 ppm2=1.033 assign ( resid 10 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 17 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.2 0.6 0.6 volume=2.863 peak=1596 ppm1=1.940 ppm2=0.910 assign ( resid 12 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 ) ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 67 and name HG2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.3 0.7 0.7 volume=2.531 peak=1597 ppm1=2.049 ppm2=0.879 assign ( resid 26 and name HB2 or resid 33 and name HB2 ) ( resid 23 and name HN ) 4.0 0.8 0.8 volume=0.271 peak=1598 ppm1=3.264 ppm2=9.607 assign ( resid 36 and name HB3 or resid 58 and name HB3 or resid 74 and name HB3 or resid 85 and name HA1 ) ( resid 23 and name HN ) 3.9 0.8 0.8 volume=0.316 peak=1599 ppm1=3.344 ppm2=9.599 assign ( resid 23 and name HB3 or resid 30 and name HB2 ) ( resid 23 and name HN ) 3.8 0.8 0.8 volume=0.343 peak=1600 ppm1=3.490 ppm2=9.606 assign ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 ) ( resid 4 and name HE1 or resid 85 and name HN or resid 88 and name HN or resid 107 and name HN ) 3.5 0.7 0.7 volume=0.579 peak=1601 ppm1=2.666 ppm2=7.783 assign ( resid 27 and name HB3 or resid 33 and name HB3 or resid 57 and name HB3 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.7 0.7 0.7 volume=0.437 peak=1602 ppm1=2.483 ppm2=8.556 assign ( resid 60 and name HB ) ( resid 6 and name HN or resid 61 and name HN or resid 68 and name HN or resid 78 and name HN ) 3.7 0.7 0.7 volume=0.393 peak=1603 ppm1=2.122 ppm2=8.192 assign ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 81 and name HB2 ) ( resid 6 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 75 and name HN ) 3.6 0.7 0.7 volume=0.554 peak=1604 ppm1=2.118 ppm2=8.171 assign ( resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.4 0.7 0.7 volume=0.650 peak=1605 ppm1=2.082 ppm2=8.202 assign ( resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.7 0.7 0.7 volume=0.391 peak=1606 ppm1=2.161 ppm2=8.245 assign ( resid 17 and name HB or resid 54 and name HB2 or resid 75 and name HB3 ) ( resid 6 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 102 and name HN ) 3.6 0.7 0.7 volume=0.462 peak=1607 ppm1=2.254 ppm2=8.221 assign ( resid 8 and name HG or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB3 ) ( resid 72 and name HE# ) 4.0 0.8 0.8 volume=0.496 peak=1608 ppm1=1.661 ppm2=6.889 assign ( resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HB3 or resid 97 and name HB3 ) ( resid 72 and name HE# ) 3.8 0.8 0.8 volume=0.672 peak=1609 ppm1=1.563 ppm2=6.889 assign ( resid 6 and name HE# or resid 51 and name HD# or resid 71 and name HZ ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 69 and name HB2 ) 4.2 0.8 0.8 volume=0.301 peak=1610 ppm1=7.321 ppm2=2.452 assign ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 107 and name HA ) ( resid 10 and name HA or resid 36 and name HA or resid 46 and name HA ) 3.6 0.7 0.7 volume=0.461 peak=1611 ppm1=4.068 ppm2=4.939 assign ( resid 5 and name HB2 or resid 10 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) ( resid 41 and name HA ) 3.5 0.7 0.7 volume=0.567 peak=1612 ppm1=1.933 ppm2=5.063 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 70 and name HB# ) ( resid 21 and name HA ) 4.1 0.8 0.8 volume=0.418 peak=1613 ppm1=1.011 ppm2=5.240 assign ( resid 12 and name HD1# ) ( resid 73 and name HA or resid 87 and name HA ) 4.4 0.9 0.9 volume=0.445 peak=1614 ppm1=0.616 ppm2=5.096 assign ( resid 5 and name HB2 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.8 0.8 0.8 volume=0.376 peak=1615 ppm1=1.901 ppm2=2.876 assign ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 89 and name HB or resid 102 and name HB3 ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.5 0.7 0.7 volume=0.555 peak=1616 ppm1=1.922 ppm2=2.870 assign ( resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 ) ( resid 13 and name HB2 or resid 47 and name HG3 or resid 47 and name HG2 ) 3.6 0.7 0.7 volume=0.534 peak=1617 ppm1=1.560 ppm2=2.317 assign ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.2 0.6 0.6 volume=1.006 peak=1618 ppm1=1.495 ppm2=2.868 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 ) ( resid 26 and name HB2 or resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 ) 3.4 0.7 0.7 volume=0.724 peak=1619 ppm1=1.876 ppm2=3.298 assign ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HG2# or resid 107 and name HG2# ) 4.1 0.8 0.8 volume=0.712 peak=1620 ppm1=2.353 ppm2=0.938 assign ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.1 0.8 0.8 volume=0.717 peak=1621 ppm1=2.420 ppm2=0.918 assign ( resid 18 and name HG3 or resid 24 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG2 ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 17 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.8 0.8 0.8 volume=1.129 peak=1622 ppm1=2.379 ppm2=0.910 assign ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.2 0.8 0.8 volume=0.627 peak=1623 ppm1=2.353 ppm2=0.908 assign ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.2 0.8 0.8 volume=0.574 peak=1624 ppm1=2.675 ppm2=0.909 assign ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 67 and name HG2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.1 0.8 0.8 volume=0.673 peak=1625 ppm1=2.664 ppm2=0.881 assign ( resid 9 and name HG13 or resid 39 and name HB3 or resid 42 and name HG2 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 104 and name HB2 or resid 105 and name HB3 ) 3.2 0.6 0.6 volume=1.038 peak=1626 ppm1=1.128 ppm2=1.791 assign ( resid 9 and name HG13 or resid 39 and name HB3 or resid 42 and name HG2 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 2.9 0.6 0.6 volume=1.635 peak=1627 ppm1=1.127 ppm2=1.762 assign ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) ( resid 8 and name HG or resid 15 and name HG3 or resid 25 and name HG2 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HB3 or resid 92 and name HG or resid 92 and name HB2 or resid 97 and name HG or resid 97 and name HB2 ) 2.8 0.6 0.6 volume=2.705 peak=1628 ppm1=2.145 ppm2=1.624 assign ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) 2.8 0.6 0.6 volume=2.451 peak=1629 ppm1=2.146 ppm2=1.514 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.0 0.6 0.6 volume=1.513 peak=1630 ppm1=1.993 ppm2=1.413 assign ( resid 12 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 ) ( resid 22 and name HD1# or resid 40 and name HB3 or resid 87 and name HG3 or resid 89 and name HG13 ) 3.1 0.6 0.6 volume=1.531 peak=1631 ppm1=2.029 ppm2=1.379 assign ( resid 15 and name HG2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 87 and name HB3 or resid 102 and name HG3 ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 17 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 2.9 0.6 0.6 volume=5.305 peak=1632 ppm1=2.168 ppm2=0.912 assign ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 53 and name HE3 or resid 53 and name HE2 or resid 78 and name HD3 or resid 100 and name HB2 or resid 101 and name HB3 ) ( resid 10 and name HG3 or resid 34 and name HB3 ) 2.7 0.5 0.5 volume=2.771 peak=1633 ppm1=3.035 ppm2=2.548 assign ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) ( resid 8 and name HG or resid 15 and name HG3 or resid 25 and name HG2 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HB3 or resid 92 and name HG or resid 92 and name HB2 or resid 97 and name HG or resid 97 and name HB2 ) 2.7 0.5 0.5 volume=2.633 peak=1634 ppm1=2.960 ppm2=1.624 assign ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 2.9 0.6 0.6 volume=1.942 peak=1635 ppm1=2.960 ppm2=1.594 assign ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) ( resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HB3 or resid 97 and name HB3 ) 2.9 0.6 0.6 volume=1.920 peak=1636 ppm1=2.961 ppm2=1.560 assign ( resid 79 and name HN ) ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 94 and name HB3 or resid 94 and name HB2 ) 3.9 0.8 0.8 volume=0.320 peak=1637 ppm1=7.624 ppm2=3.871 assign ( resid 4 and name HD2 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 72 and name HE# ) ( resid 44 and name HN or resid 79 and name HN or resid 88 and name HE or resid 91 and name HD21 or resid 95 and name HD22 ) 3.5 0.7 0.7 volume=0.739 peak=1638 ppm1=6.888 ppm2=7.602 assign ( resid 84 and name HN ) ( resid 27 and name HN or resid 57 and name HD21 or resid 83 and name HN ) 3.0 0.6 0.6 volume=1.343 peak=1639 ppm1=7.559 ppm2=7.197 assign ( resid 51 and name HD# or resid 71 and name HZ ) ( resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 95 and name HD21 ) 3.3 0.7 0.7 volume=1.458 peak=1640 ppm1=7.327 ppm2=6.930 assign ( resid 28 and name HN ) ( resid 29 and name HN or resid 54 and name HE22 or resid 74 and name HE3 or resid 74 and name HZ2 ) 3.4 0.7 0.7 volume=0.665 peak=1641 ppm1=7.919 ppm2=7.528 assign ( resid 24 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG2 ) ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) 3.6 0.7 0.7 volume=0.471 peak=1642 ppm1=2.390 ppm2=4.122 assign ( resid 18 and name HG3 or resid 24 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG2 ) ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) 3.5 0.7 0.7 volume=0.590 peak=1643 ppm1=2.378 ppm2=4.119 assign ( resid 13 and name HB2 or resid 18 and name HG3 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 ) ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) 3.7 0.7 0.7 volume=0.438 peak=1644 ppm1=2.341 ppm2=4.120 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) 3.6 0.7 0.7 volume=0.474 peak=1645 ppm1=1.995 ppm2=4.123 assign ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HG or resid 79 and name HB3 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) ( resid 29 and name HA or resid 35 and name HB3 or resid 53 and name HA or resid 55 and name HA or resid 65 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.4 0.7 0.7 volume=0.640 peak=1646 ppm1=1.708 ppm2=4.031 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 94 and name HB3 ) 3.6 0.7 0.7 volume=0.519 peak=1647 ppm1=1.755 ppm2=3.874 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 15 and name HA or resid 42 and name HA or resid 87 and name HD3 ) 3.6 0.7 0.7 volume=0.498 peak=1648 ppm1=1.865 ppm2=3.701 assign ( resid 8 and name HG or resid 15 and name HG3 or resid 25 and name HG2 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HG or resid 92 and name HB2 or resid 97 and name HG or resid 97 and name HB2 ) ( resid 15 and name HD3 or resid 43 and name HA ) 3.7 0.7 0.7 volume=0.415 peak=1649 ppm1=1.619 ppm2=3.584 assign ( resid 8 and name HG or resid 15 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 83 and name HB3 or resid 92 and name HB2 or resid 97 and name HB2 ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.7 0.7 0.7 volume=0.389 peak=1650 ppm1=1.629 ppm2=3.363 assign ( resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.5 0.7 0.7 volume=0.560 peak=1651 ppm1=1.567 ppm2=3.363 assign ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 59 and name HB or resid 83 and name HB2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.7 0.7 0.7 volume=0.423 peak=1652 ppm1=1.965 ppm2=3.367 assign ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.7 0.7 0.7 volume=0.428 peak=1653 ppm1=1.956 ppm2=3.366 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 53 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.4 0.7 0.7 volume=0.664 peak=1654 ppm1=1.499 ppm2=4.036 assign ( resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.4 0.7 0.7 volume=0.753 peak=1655 ppm1=1.479 ppm2=4.038 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.4 0.7 0.7 volume=0.660 peak=1656 ppm1=1.464 ppm2=4.038 assign ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.5 0.7 0.7 volume=0.588 peak=1657 ppm1=1.409 ppm2=4.056 assign ( resid 40 and name HB3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.6 0.7 0.7 volume=0.455 peak=1658 ppm1=1.394 ppm2=4.050 assign ( resid 8 and name HG or resid 15 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 83 and name HB3 or resid 92 and name HB2 or resid 97 and name HB2 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 ) 3.6 0.7 0.7 volume=0.475 peak=1659 ppm1=1.629 ppm2=4.087 assign ( resid 8 and name HG or resid 15 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HB2 or resid 97 and name HG or resid 97 and name HB2 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.6 0.7 0.7 volume=0.493 peak=1660 ppm1=1.623 ppm2=4.067 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 60 and name HG13 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.4 0.7 0.7 volume=0.750 peak=1661 ppm1=1.583 ppm2=4.069 assign ( resid 8 and name HB2 or resid 31 and name HG2 or resid 63 and name HG or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 104 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 31 and name HD2 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 87 and name HD2 ) 3.7 0.7 0.7 volume=0.405 peak=1662 ppm1=1.723 ppm2=4.090 assign ( resid 87 and name HB2 or resid 102 and name HG2 or resid 102 and name HG3 ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.4 0.7 0.7 volume=0.719 peak=1663 ppm1=2.204 ppm2=4.213 assign ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) ( resid 19 and name HB or resid 81 and name HA or resid 102 and name HA ) 3.2 0.6 0.6 volume=1.057 peak=1664 ppm1=2.148 ppm2=4.181 assign ( resid 8 and name HG or resid 15 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HB3 or resid 92 and name HB2 or resid 97 and name HG or resid 97 and name HB2 ) ( resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 90 and name HA or resid 94 and name HA ) 3.4 0.7 0.7 volume=0.729 peak=1665 ppm1=1.625 ppm2=4.409 assign ( resid 29 and name HE3 or resid 64 and name HB3 or resid 95 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.6 0.7 0.7 volume=0.472 peak=1666 ppm1=2.790 ppm2=4.061 assign ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.6 0.7 0.7 volume=0.520 peak=1667 ppm1=2.871 ppm2=3.478 assign ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 3.0 0.6 0.6 volume=1.336 peak=1668 ppm1=2.876 ppm2=4.465 assign ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 3.0 0.6 0.6 volume=1.376 peak=1669 ppm1=2.867 ppm2=4.464 assign ( resid 29 and name HG3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.6 0.7 0.7 volume=0.534 peak=1670 ppm1=0.400 ppm2=4.065 assign ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.6 0.7 0.7 volume=0.664 peak=1671 ppm1=1.088 ppm2=4.057 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.7 0.7 0.7 volume=0.811 peak=1672 ppm1=1.038 ppm2=4.068 assign ( resid 29 and name HG2 or resid 65 and name HG2# ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.8 0.8 0.8 volume=0.562 peak=1673 ppm1=0.985 ppm2=4.062 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 94 and name HB3 ) 3.5 0.7 0.7 volume=0.601 peak=1674 ppm1=1.514 ppm2=3.874 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 16 and name HA1 or resid 78 and name HA or resid 94 and name HB2 ) 3.4 0.7 0.7 volume=0.682 peak=1675 ppm1=1.474 ppm2=3.837 assign ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.3 0.9 0.9 volume=0.501 peak=1676 ppm1=3.468 ppm2=0.905 assign ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 3.8 0.8 0.8 volume=0.485 peak=1677 ppm1=3.461 ppm2=1.084 assign ( resid 5 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 60 and name HA or resid 79 and name HA or resid 99 and name HA ) ( resid 45 and name HG1# ) 4.4 0.9 0.9 volume=0.437 peak=1678 ppm1=4.234 ppm2=0.632 assign ( resid 1 and name HB3 or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 94 and name HB3 ) ( resid 45 and name HG1# ) 4.5 0.9 0.9 volume=0.396 peak=1679 ppm1=3.892 ppm2=0.633 assign ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 4.0 0.8 0.8 volume=0.520 peak=1680 ppm1=4.063 ppm2=1.030 assign ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) ( resid 29 and name HG2 or resid 65 and name HG2# ) 3.9 0.8 0.8 volume=0.480 peak=1681 ppm1=4.062 ppm2=0.985 assign ( resid 19 and name HB or resid 81 and name HA ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) 3.6 0.7 0.7 volume=0.479 peak=1682 ppm1=4.178 ppm2=1.515 assign ( resid 29 and name HA or resid 53 and name HA or resid 88 and name HA or resid 107 and name HA ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.6 0.7 0.7 volume=0.485 peak=1683 ppm1=4.032 ppm2=1.484 assign ( resid 5 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 50 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 99 and name HA ) ( resid 22 and name HD1# or resid 55 and name HB# or resid 59 and name HG12 ) 3.8 0.8 0.8 volume=0.668 peak=1684 ppm1=4.237 ppm2=1.333 assign ( resid 3 and name HA or resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 77 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.7 0.7 0.7 volume=0.459 peak=1685 ppm1=4.284 ppm2=2.132 assign ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 56 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 3.7 0.7 0.7 volume=0.416 peak=1686 ppm1=4.298 ppm2=2.094 assign ( resid -1 and name HA2 or resid -1 and name HA1 or resid 16 and name HA1 or resid 74 and name HA or resid 78 and name HA ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HG2# ) 4.2 0.8 0.8 volume=0.514 peak=1687 ppm1=3.816 ppm2=0.945 assign ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG2# ) 4.3 0.9 0.9 volume=0.513 peak=1688 ppm1=3.867 ppm2=0.925 assign ( resid 13 and name HB2 ) ( resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 32 and name HG13 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 ) 3.5 0.7 0.7 volume=0.628 peak=1689 ppm1=2.314 ppm2=1.554 assign ( resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 104 and name HB2 or resid 105 and name HB3 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.5 0.7 0.7 volume=0.540 peak=1690 ppm1=1.799 ppm2=2.436 assign ( resid 10 and name HB3 or resid 13 and name HD3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 104 and name HB2 or resid 105 and name HB3 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.6 0.7 0.7 volume=0.533 peak=1691 ppm1=1.811 ppm2=2.428 assign ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 ) 3.5 0.7 0.7 volume=0.562 peak=1692 ppm1=2.423 ppm2=2.743 assign ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 75 and name HG3 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB3 ) 3.5 0.7 0.7 volume=0.587 peak=1693 ppm1=2.414 ppm2=2.727 assign ( resid 10 and name HG3 or resid 34 and name HB3 ) ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 106 and name HE3 or resid 106 and name HE2 ) 2.7 0.5 0.5 volume=3.004 peak=1694 ppm1=2.534 ppm2=3.033 assign ( resid 27 and name HB3 or resid 57 and name HB3 ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 3.0 0.6 0.6 volume=1.408 peak=1695 ppm1=2.499 ppm2=2.851 assign ( resid 14 and name HG2 or resid 14 and name HG3 or resid 27 and name HB3 or resid 33 and name HB3 or resid 57 and name HB3 ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 3.0 0.6 0.6 volume=1.626 peak=1696 ppm1=2.480 ppm2=2.849 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 3.6 0.7 0.7 volume=0.490 peak=1697 ppm1=1.987 ppm2=2.841 assign ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 89 and name HB or resid 102 and name HB3 ) ( resid 26 and name HB2 or resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 ) 3.5 0.7 0.7 volume=0.545 peak=1698 ppm1=1.924 ppm2=3.302 assign ( resid 42 and name HG3 or resid 60 and name HD1# ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.8 0.8 0.8 volume=0.567 peak=1699 ppm1=0.781 ppm2=2.870 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 ) 3.6 0.7 0.7 volume=0.481 peak=1700 ppm1=1.516 ppm2=2.673 assign ( resid 9 and name HG13 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HG2 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.7 0.7 0.7 volume=0.505 peak=1701 ppm1=1.109 ppm2=2.438 assign ( resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.7 0.7 0.7 volume=0.552 peak=1702 ppm1=1.086 ppm2=2.439 assign ( resid 45 and name HG2# ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) 4.1 0.8 0.8 volume=0.676 peak=1703 ppm1=0.792 ppm2=1.947 assign ( resid 21 and name HD2# ) ( resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 87 and name HG2 ) 4.3 0.9 0.9 volume=0.478 peak=1704 ppm1=0.720 ppm2=2.015 assign ( resid 90 and name HD1# ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 4.4 0.9 0.9 volume=0.461 peak=1705 ppm1=0.738 ppm2=1.980 assign ( resid 90 and name HD1# ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) 4.2 0.8 0.8 volume=0.565 peak=1706 ppm1=0.738 ppm2=1.952 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 3.7 0.7 0.7 volume=0.903 peak=1707 ppm1=1.755 ppm2=1.038 assign ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HG or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 3.7 0.7 0.7 volume=0.851 peak=1708 ppm1=1.715 ppm2=1.017 assign ( resid 8 and name HD2# or resid 9 and name HD1# or resid 45 and name HG2# or resid 92 and name HD2# or resid 97 and name HD2# ) ( resid 9 and name HG13 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HG2 or resid 42 and name HG2 ) 3.4 0.7 0.7 volume=2.284 peak=1709 ppm1=0.818 ppm2=1.112 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 70 and name HB# ) ( resid 43 and name HG1# ) 4.2 0.8 0.8 volume=1.045 peak=1710 ppm1=1.012 ppm2=0.450 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) ( resid 29 and name HG3 ) 3.6 0.7 0.7 volume=0.955 peak=1711 ppm1=1.023 ppm2=0.393 assign ( resid 29 and name HG2 or resid 65 and name HG2# ) ( resid 29 and name HG3 ) 3.2 0.6 0.6 volume=1.517 peak=1712 ppm1=0.985 ppm2=0.394 assign ( resid 12 and name HA or resid 28 and name HA2 ) ( resid 28 and name HA1 or resid 75 and name HA or resid 94 and name HA ) 2.9 0.6 0.6 volume=1.634 peak=1713 ppm1=3.741 ppm2=4.422 assign ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 ) 3.4 0.7 0.7 volume=0.802 peak=1714 ppm1=2.141 ppm2=4.077 assign ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) ( resid 87 and name HA ) 3.5 0.7 0.7 volume=0.564 peak=1715 ppm1=3.129 ppm2=5.091 assign ( resid 8 and name HD2# or resid 9 and name HD1# or resid 92 and name HD2# or resid 97 and name HD2# ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 4.0 0.8 0.8 volume=0.798 peak=1716 ppm1=0.832 ppm2=8.548 assign ( resid 8 and name HD2# or resid 9 and name HD1# or resid 45 and name HG2# or resid 97 and name HD2# ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 4.3 0.9 0.9 volume=0.491 peak=1717 ppm1=0.817 ppm2=8.536 assign ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.9 0.8 0.8 volume=0.950 peak=1718 ppm1=0.874 ppm2=8.546 assign ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.6 0.7 0.7 volume=0.523 peak=1719 ppm1=1.950 ppm2=8.886 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 31 and name HG3 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.5 0.7 0.7 volume=0.619 peak=1720 ppm1=1.596 ppm2=8.248 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.5 0.7 0.7 volume=0.571 peak=1721 ppm1=1.577 ppm2=8.241 assign ( resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 68 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.6 0.7 0.7 volume=0.515 peak=1722 ppm1=1.568 ppm2=8.141 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 22 and name HN ) 3.8 0.8 0.8 volume=0.342 peak=1723 ppm1=1.751 ppm2=9.287 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 23 and name HN ) 3.9 0.8 0.8 volume=0.301 peak=1724 ppm1=1.508 ppm2=9.599 assign ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 24 and name HN or resid 40 and name HN or resid 42 and name HN ) 3.7 0.7 0.7 volume=0.430 peak=1725 ppm1=2.856 ppm2=9.009 assign ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.8 0.8 0.8 volume=0.333 peak=1726 ppm1=2.858 ppm2=8.878 assign ( resid 26 and name HB3 or resid 57 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.8 0.8 0.8 volume=0.332 peak=1727 ppm1=2.838 ppm2=8.883 assign ( resid 19 and name HB or resid 81 and name HA or resid 102 and name HA ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.9 0.8 0.8 volume=0.285 peak=1728 ppm1=4.186 ppm2=8.123 assign ( resid 19 and name HB or resid 81 and name HA or resid 102 and name HA ) ( resid 20 and name HN or resid 30 and name HN or resid 101 and name HN ) 3.9 0.8 0.8 volume=0.309 peak=1729 ppm1=4.186 ppm2=7.987 assign ( resid 1 and name HB2 or resid 1 and name HB3 or resid 2 and name HB3 or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 94 and name HB3 ) ( resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) 3.9 0.8 0.8 volume=0.302 peak=1730 ppm1=3.890 ppm2=7.856 assign ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) ( resid 74 and name HE3 ) 3.7 0.7 0.7 volume=0.405 peak=1731 ppm1=3.464 ppm2=7.504 assign ( resid 10 and name HN ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.7 0.7 0.7 volume=0.409 peak=1732 ppm1=8.336 ppm2=8.554 assign ( resid 9 and name HN or resid 58 and name HN ) ( resid 3 and name HN or resid 10 and name HN or resid 105 and name HN ) 3.7 0.7 0.7 volume=0.424 peak=1733 ppm1=8.555 ppm2=8.343 assign ( resid 82 and name HN ) ( resid 18 and name HE21 or resid 80 and name HN ) 4.0 0.8 0.8 volume=0.262 peak=1734 ppm1=9.254 ppm2=7.713 assign ( resid 35 and name HN ) ( resid 20 and name HN or resid 30 and name HN ) 3.6 0.7 0.7 volume=0.523 peak=1735 ppm1=8.375 ppm2=8.012 assign ( resid 71 and name HN or resid 90 and name HN ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.7 0.7 0.7 volume=0.392 peak=1736 ppm1=8.888 ppm2=8.240 assign ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) ( resid 71 and name HE# or resid 74 and name HD1 or resid 74 and name HH2 or resid 101 and name HZ ) 4.0 0.8 0.8 volume=0.298 peak=1737 ppm1=8.492 ppm2=7.279 assign ( resid 81 and name HN ) ( resid 27 and name HN or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN ) 3.9 0.8 0.8 volume=0.287 peak=1738 ppm1=8.442 ppm2=7.200 assign ( resid 72 and name HN ) ( resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 95 and name HD21 ) 3.7 0.7 0.7 volume=0.524 peak=1739 ppm1=9.337 ppm2=6.930 assign ( resid 38 and name HN ) ( resid 39 and name HD2 or resid 39 and name HD3 or resid 50 and name HB2 ) 3.8 0.8 0.8 volume=0.369 peak=1740 ppm1=8.484 ppm2=3.638 assign ( resid 42 and name HN ) ( resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 4.0 0.8 0.8 volume=0.271 peak=1741 ppm1=9.000 ppm2=3.711 assign ( resid 25 and name HN or resid 48 and name HN ) ( resid 13 and name HE2 or resid 30 and name HB3 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 ) 3.9 0.8 0.8 volume=0.310 peak=1742 ppm1=8.402 ppm2=3.197 assign ( resid 35 and name HN ) ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 ) 3.8 0.8 0.8 volume=0.369 peak=1743 ppm1=8.383 ppm2=3.184 assign ( resid 34 and name HN ) ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 78 and name HD3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.7 0.7 0.7 volume=0.407 peak=1744 ppm1=8.474 ppm2=3.035 assign ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) ( resid 13 and name HB2 or resid 18 and name HG3 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 ) 3.6 0.7 0.7 volume=0.458 peak=1745 ppm1=4.061 ppm2=2.333 assign ( resid 19 and name HB or resid 81 and name HA ) ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.7 0.7 0.7 volume=0.457 peak=1746 ppm1=4.182 ppm2=2.148 assign ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) ( resid 23 and name HN ) 3.7 0.7 0.7 volume=0.400 peak=1747 ppm1=2.657 ppm2=9.598 assign ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 98 and name HB2 ) ( resid 23 and name HN ) 3.8 0.8 0.8 volume=0.378 peak=1748 ppm1=2.622 ppm2=9.599 assign ( resid 1 and name HB2 or resid 2 and name HB3 or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.6 0.7 0.7 volume=0.502 peak=1749 ppm1=3.870 ppm2=1.747 assign ( resid 1 and name HB2 or resid 2 and name HB3 or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 94 and name HB3 ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) 3.7 0.7 0.7 volume=0.417 peak=1750 ppm1=3.877 ppm2=1.513 assign ( resid -1 and name HA2 or resid -1 and name HA1 or resid 16 and name HA1 or resid 74 and name HA or resid 78 and name HA or resid 94 and name HB2 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.7 0.7 0.7 volume=0.408 peak=1751 ppm1=3.819 ppm2=1.447 assign ( resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) ( resid 21 and name HB3 or resid 22 and name HD2# or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# or resid 65 and name HG1# ) 3.9 0.8 0.8 volume=0.470 peak=1752 ppm1=4.336 ppm2=1.065 assign ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 58 and name HA or resid 99 and name HA or resid 102 and name HA ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 65 and name HG2# or resid 79 and name HD1# or resid 89 and name HG2# ) 4.1 0.8 0.8 volume=0.556 peak=1753 ppm1=4.208 ppm2=0.948 assign ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) ( resid 21 and name HD1# or resid 59 and name HD1# ) 4.3 0.9 0.9 volume=0.566 peak=1754 ppm1=2.151 ppm2=0.585 assign ( resid 54 and name HE22 ) ( resid 18 and name HG3 or resid 24 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG2 ) 3.8 0.8 0.8 volume=0.366 peak=1755 ppm1=7.508 ppm2=2.384 assign ( resid 54 and name HE22 ) ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 ) 3.9 0.8 0.8 volume=0.297 peak=1756 ppm1=7.511 ppm2=2.351 assign ( resid 71 and name HN ) ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 40 and name HE2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 98 and name HB2 ) 3.9 0.8 0.8 volume=0.315 peak=1757 ppm1=8.879 ppm2=2.612 assign ( resid 52 and name HN ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 71 and name HZ or resid 101 and name HZ ) 3.9 0.8 0.8 volume=0.379 peak=1758 ppm1=7.914 ppm2=7.321 assign ( resid 27 and name HN or resid 57 and name HD21 or resid 83 and name HN ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) 3.8 0.8 0.8 volume=0.353 peak=1759 ppm1=7.191 ppm2=1.514 assign ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 3.0 0.6 0.6 volume=1.457 peak=1760 ppm1=3.018 ppm2=4.483 assign ( resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 100 and name HB3 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 3.1 0.6 0.6 volume=1.129 peak=1761 ppm1=2.999 ppm2=4.464 assign ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HD1# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG2# ) ( resid 4 and name HD2 or resid 72 and name HE# ) 4.0 0.8 0.8 volume=1.025 peak=1762 ppm1=0.921 ppm2=6.889 assign ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HD1# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HG2# or resid 97 and name HD1# or resid 107 and name HG2# ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.7 0.7 0.7 volume=1.289 peak=1763 ppm1=0.923 ppm2=3.008 assign ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 100 and name HB3 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.6 0.7 0.7 volume=1.405 peak=1764 ppm1=0.893 ppm2=3.001 assign ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HG2# or resid 107 and name HG2# ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 ) 3.8 0.8 0.8 volume=1.032 peak=1765 ppm1=0.925 ppm2=2.970 assign ( resid 37 and name HA or resid 65 and name HA or resid 80 and name HA1 ) ( resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 102 and name HG3 ) 3.9 0.8 0.8 volume=0.319 peak=1766 ppm1=3.995 ppm2=2.172 assign ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA ) ( resid 7 and name HB2 or resid 23 and name HB2 or resid 58 and name HB2 or resid 71 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 98 and name HB2 ) 3.8 0.8 0.8 volume=0.381 peak=1767 ppm1=4.255 ppm2=2.641 assign ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 13 and name HG3 or resid 21 and name HG or resid 29 and name HB2 or resid 32 and name HG13 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 ) 3.7 0.7 0.7 volume=0.432 peak=1768 ppm1=4.271 ppm2=1.540 assign ( resid 3 and name HA or resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 77 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 8 and name HG or resid 15 and name HG3 or resid 25 and name HG2 or resid 31 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 ) 3.7 0.7 0.7 volume=0.444 peak=1769 ppm1=4.284 ppm2=1.614 assign ( resid 3 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 10 and name HB3 or resid 13 and name HD3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 104 and name HB2 or resid 105 and name HB3 ) 3.7 0.7 0.7 volume=0.451 peak=1770 ppm1=4.278 ppm2=1.812 assign ( resid 5 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 99 and name HA or resid 102 and name HA ) ( resid 8 and name HG or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 ) 3.6 0.7 0.7 volume=0.465 peak=1771 ppm1=4.216 ppm2=1.661 assign ( resid 5 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 99 and name HA or resid 102 and name HA ) ( resid 8 and name HB2 or resid 12 and name HB3 or resid 22 and name HB2 or resid 31 and name HG2 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 106 and name HB3 ) 3.6 0.7 0.7 volume=0.479 peak=1772 ppm1=4.220 ppm2=1.727 assign ( resid 55 and name HB# ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) 4.6 0.9 0.9 volume=0.319 peak=1773 ppm1=1.335 ppm2=2.960 assign ( resid 22 and name HD1# ) ( resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 83 and name HE3 or resid 83 and name HE2 ) 4.4 0.9 0.9 volume=0.426 peak=1774 ppm1=1.358 ppm2=2.943 assign ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.7 0.7 0.7 volume=0.444 peak=1775 ppm1=1.409 ppm2=2.881 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.5 0.7 0.7 volume=1.145 peak=1776 ppm1=1.036 ppm2=1.755 assign ( resid 15 and name HA or resid 42 and name HA or resid 87 and name HD3 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.0 0.6 0.6 volume=1.391 peak=1777 ppm1=3.706 ppm2=8.136 assign ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 85 and name HA2 or resid 97 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.9 0.8 0.8 volume=0.307 peak=1778 ppm1=4.302 ppm2=8.394 assign ( resid 19 and name HB or resid 81 and name HA ) ( resid 81 and name HN ) 3.9 0.8 0.8 volume=0.317 peak=1779 ppm1=4.182 ppm2=8.442 assign ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.9 0.8 0.8 volume=0.309 peak=1780 ppm1=3.477 ppm2=8.383 assign ( resid 12 and name HA or resid 28 and name HA2 ) ( resid 28 and name HN or resid 52 and name HN ) 3.4 0.7 0.7 volume=0.741 peak=1781 ppm1=3.741 ppm2=7.914 assign ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 52 and name HA1 or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB2 ) 3.5 0.7 0.7 volume=0.608 peak=1782 ppm1=4.136 ppm2=3.856 assign ( resid 37 and name HA or resid 65 and name HA or resid 80 and name HA1 or resid 93 and name HA2 ) ( resid 18 and name HE21 or resid 80 and name HN ) 3.7 0.7 0.7 volume=0.423 peak=1783 ppm1=3.988 ppm2=7.717 assign ( resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 78 and name HD3 or resid 100 and name HB2 or resid 101 and name HB3 ) 2.9 0.6 0.6 volume=1.887 peak=1784 ppm1=3.383 ppm2=3.037 assign ( resid 58 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.0 0.6 0.6 volume=1.363 peak=1785 ppm1=3.364 ppm2=1.467 assign ( resid 58 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.8 0.6 0.6 volume=2.132 peak=1786 ppm1=3.365 ppm2=4.305 assign ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 59 and name HB or resid 83 and name HB2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) ( resid 10 and name HG3 or resid 34 and name HB3 ) 3.7 0.7 0.7 volume=0.440 peak=1787 ppm1=1.964 ppm2=2.553 assign ( resid 10 and name HB3 or resid 13 and name HD3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 104 and name HB2 or resid 105 and name HB3 ) ( resid 10 and name HG3 or resid 34 and name HB3 ) 4.0 0.8 0.8 volume=0.274 peak=1788 ppm1=1.809 ppm2=2.549 assign ( resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 104 and name HB2 or resid 105 and name HB3 ) ( resid 10 and name HG3 or resid 34 and name HB3 ) 3.8 0.8 0.8 volume=0.347 peak=1789 ppm1=1.801 ppm2=2.545 assign ( resid 7 and name HB3 or resid 23 and name HB2 or resid 40 and name HE2 or resid 72 and name HB2 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 or resid 83 and name HG2 ) 3.7 0.7 0.7 volume=0.527 peak=1790 ppm1=2.588 ppm2=1.220 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 3.5 0.7 0.7 volume=0.767 peak=1791 ppm1=2.434 ppm2=1.085 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 ) 3.6 0.7 0.7 volume=0.596 peak=1792 ppm1=2.438 ppm2=1.244 assign ( resid 7 and name HB2 or resid 58 and name HB2 or resid 77 and name HB2 or resid 77 and name HB3 or resid 98 and name HB2 ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 3.8 0.8 0.8 volume=0.446 peak=1793 ppm1=2.644 ppm2=1.087 assign ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HG or resid 79 and name HB3 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 104 and name HB3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 2.3 0.5 0.5 volume=6.650 peak=1794 ppm1=3.009 ppm2=1.713 assign ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 2.2 0.4 0.4 volume=9.641 peak=1795 ppm1=3.015 ppm2=1.685 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 69 and name HB2 ) ( resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 102 and name HG3 ) 2.8 0.6 0.6 volume=2.086 peak=1796 ppm1=2.447 ppm2=2.162 assign ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 42 and name HG3 or resid 60 and name HD1# ) 3.7 0.7 0.7 volume=0.653 peak=1797 ppm1=2.868 ppm2=0.776 assign ( resid 7 and name HB2 or resid 58 and name HB2 or resid 77 and name HB2 or resid 77 and name HB3 or resid 98 and name HB2 ) ( resid 7 and name HN or resid 26 and name HN or resid 105 and name HN ) 3.9 0.8 0.8 volume=0.287 peak=1798 ppm1=2.645 ppm2=8.303 assign ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) ( resid 27 and name HN or resid 57 and name HD21 or resid 83 and name HN ) 3.9 0.8 0.8 volume=0.301 peak=1799 ppm1=4.123 ppm2=7.182 assign ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 39 and name HB2 or resid 59 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) ( resid 3 and name HN or resid 10 and name HN or resid 105 and name HN ) 3.6 0.7 0.7 volume=0.476 peak=1800 ppm1=1.969 ppm2=8.339 assign ( resid 5 and name HG3 or resid 5 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 78 and name HB3 or resid 107 and name HB ) ( resid 7 and name HN or resid 16 and name HN or resid 26 and name HN or resid 98 and name HN or resid 105 and name HN ) 3.5 0.7 0.7 volume=0.556 peak=1801 ppm1=2.098 ppm2=8.293 assign ( resid 5 and name HG3 or resid 5 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 15 and name HG3 or resid 22 and name HG or resid 25 and name HG2 or resid 31 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 ) 2.9 0.6 0.6 volume=1.631 peak=1802 ppm1=2.088 ppm2=1.610 assign ( resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG2# ) 3.7 0.7 0.7 volume=1.347 peak=1803 ppm1=2.077 ppm2=0.923 assign ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 60 and name HB or resid 78 and name HB3 or resid 107 and name HB ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.7 0.7 0.7 volume=1.420 peak=1804 ppm1=2.105 ppm2=0.909 assign ( resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 86 and name HA or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) 3.6 0.7 0.7 volume=0.463 peak=1805 ppm1=4.339 ppm2=1.953 assign ( resid 14 and name HG2 or resid 14 and name HG3 or resid 27 and name HB3 or resid 33 and name HB3 or resid 57 and name HB3 ) ( resid 10 and name HN or resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.8 0.8 0.8 volume=0.358 peak=1806 ppm1=2.474 ppm2=8.378 assign ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.9 0.8 0.8 volume=0.305 peak=1807 ppm1=2.423 ppm2=8.383 assign ( resid 5 and name HG3 or resid 5 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) ( resid 13 and name HA or resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 90 and name HA or resid 94 and name HA ) 3.6 0.7 0.7 volume=0.479 peak=1808 ppm1=2.088 ppm2=4.407 assign ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA ) ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 ) 3.7 0.7 0.7 volume=0.414 peak=1809 ppm1=3.869 ppm2=3.173 assign ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 88 and name HA or resid 107 and name HA ) ( resid 29 and name HE3 or resid 64 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 3.9 0.8 0.8 volume=0.285 peak=1810 ppm1=4.058 ppm2=2.790 assign ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.7 0.7 0.7 volume=0.452 peak=1811 ppm1=3.484 ppm2=2.861 assign ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.8 0.8 0.8 volume=0.364 peak=1812 ppm1=3.171 ppm2=4.068 assign ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.7 0.7 0.7 volume=0.445 peak=1813 ppm1=2.426 ppm2=3.005 assign ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 75 and name HG3 ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 100 and name HB3 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.7 0.7 0.7 volume=0.422 peak=1814 ppm1=2.415 ppm2=2.994 assign ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.2 0.8 0.8 volume=0.555 peak=1815 ppm1=3.189 ppm2=0.916 assign ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 85 and name HA2 or resid 97 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.9 0.8 0.8 volume=0.295 peak=1816 ppm1=4.302 ppm2=4.063 assign ( resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) ( resid 5 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 38 and name HA or resid 50 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.3 0.7 0.7 volume=0.901 peak=1817 ppm1=3.630 ppm2=4.235 assign ( resid 15 and name HD3 or resid 43 and name HA ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 8 and name HG or resid 15 and name HG3 or resid 25 and name HG2 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HB3 or resid 92 and name HG or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB2 ) 3.7 0.7 0.7 volume=0.429 peak=1818 ppm1=3.586 ppm2=1.622 assign ( resid 15 and name HA or resid 42 and name HA or resid 87 and name HD3 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) 3.5 0.7 0.7 volume=0.605 peak=1819 ppm1=3.695 ppm2=1.854 assign ( resid 15 and name HA or resid 42 and name HA or resid 87 and name HD3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 3.2 0.6 0.6 volume=0.916 peak=1820 ppm1=3.699 ppm2=1.980 assign ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HG or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) ( resid 43 and name HG1# ) 4.5 0.9 0.9 volume=0.398 peak=1821 ppm1=1.715 ppm2=0.452 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 3.4 0.7 0.7 volume=0.696 peak=1822 ppm1=1.522 ppm2=3.708 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 3.4 0.7 0.7 volume=0.672 peak=1823 ppm1=1.467 ppm2=3.709 assign ( resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 66 and name HN ) 3.8 0.8 0.8 volume=0.341 peak=1824 ppm1=2.002 ppm2=9.066 assign ( resid 12 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 ) ( resid 24 and name HN or resid 40 and name HN or resid 42 and name HN ) 3.8 0.8 0.8 volume=0.382 peak=1825 ppm1=2.048 ppm2=9.003 assign ( resid 12 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 ) ( resid 24 and name HN or resid 40 and name HN or resid 42 and name HN ) 3.9 0.8 0.8 volume=0.313 peak=1826 ppm1=2.030 ppm2=9.006 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 4.0 0.8 0.8 volume=0.270 peak=1827 ppm1=1.759 ppm2=8.886 assign ( resid 12 and name HA or resid 28 and name HA2 or resid 87 and name HD3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.3 0.7 0.7 volume=0.779 peak=1828 ppm1=3.732 ppm2=4.358 assign ( resid 29 and name HD3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 81 and name HB2 or resid 87 and name HB3 ) 3.8 0.8 0.8 volume=0.404 peak=1829 ppm1=1.415 ppm2=2.126 assign ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.1 0.6 0.6 volume=1.523 peak=1830 ppm1=1.090 ppm2=1.572 assign ( resid 12 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 ) ( resid 12 and name HG or resid 59 and name HG12 or resid 83 and name HG3 ) 3.3 0.7 0.7 volume=0.847 peak=1831 ppm1=2.049 ppm2=1.303 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 65 and name HG2# ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN ) 4.3 0.9 0.9 volume=0.532 peak=1832 ppm1=0.949 ppm2=7.657 assign ( resid 8 and name HD1# or resid 17 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG2# ) ( resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 79 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 4.2 0.8 0.8 volume=0.561 peak=1833 ppm1=0.918 ppm2=7.626 assign ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) ( resid 20 and name HN or resid 30 and name HN or resid 101 and name HN ) 4.0 0.8 0.8 volume=0.445 peak=1834 ppm1=0.798 ppm2=7.989 assign ( resid 29 and name HB3 or resid 70 and name HB# ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.9 0.8 0.8 volume=0.432 peak=1835 ppm1=1.008 ppm2=8.137 assign ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) 3.6 0.7 0.7 volume=0.485 peak=1836 ppm1=2.877 ppm2=1.880 assign ( resid 11 and name HB3 or resid 38 and name HD3 or resid 49 and name HB2 or resid 86 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) 3.7 0.7 0.7 volume=0.427 peak=1837 ppm1=2.757 ppm2=1.882 assign ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 53 and name HE3 or resid 53 and name HE2 or resid 78 and name HD3 or resid 100 and name HB2 or resid 101 and name HB3 ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 2.7 0.5 0.5 volume=3.001 peak=1838 ppm1=3.035 ppm2=3.367 assign ( resid 58 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 ) ( resid 4 and name HE1 or resid 85 and name HN or resid 88 and name HN or resid 107 and name HN ) 3.4 0.7 0.7 volume=0.719 peak=1839 ppm1=3.351 ppm2=7.784 assign ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 4 and name HE1 or resid 85 and name HN or resid 88 and name HN or resid 107 and name HN ) 3.6 0.7 0.7 volume=0.495 peak=1840 ppm1=3.371 ppm2=7.784 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 29 and name HE3 or resid 38 and name HD3 or resid 64 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 3.8 0.8 0.8 volume=0.349 peak=1841 ppm1=1.501 ppm2=2.785 assign ( resid 9 and name HG12 or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 ) 3.8 0.8 0.8 volume=0.380 peak=1842 ppm1=1.486 ppm2=2.733 assign ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) ( resid 29 and name HE3 or resid 64 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 3.8 0.8 0.8 volume=0.335 peak=1843 ppm1=1.404 ppm2=2.786 assign ( resid 22 and name HD1# ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 42 and name HE3 or resid 57 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 4.6 0.9 0.9 volume=0.354 peak=1844 ppm1=1.355 ppm2=2.836 assign ( resid 12 and name HG or resid 83 and name HG3 ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) 3.9 0.8 0.8 volume=0.318 peak=1845 ppm1=1.287 ppm2=2.956 assign ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 39 and name HB2 or resid 59 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 ) 3.8 0.8 0.8 volume=0.345 peak=1846 ppm1=1.968 ppm2=2.734 assign ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 89 and name HB or resid 102 and name HB3 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 3.8 0.8 0.8 volume=0.337 peak=1847 ppm1=1.929 ppm2=2.756 assign ( resid 5 and name HB2 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 ) 3.8 0.8 0.8 volume=0.369 peak=1848 ppm1=1.901 ppm2=2.749 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 ) 3.8 0.8 0.8 volume=0.375 peak=1849 ppm1=1.878 ppm2=2.751 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB3 ) 3.9 0.8 0.8 volume=0.301 peak=1850 ppm1=1.751 ppm2=2.709 assign ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 ) ( resid 7 and name HB3 or resid 40 and name HE2 or resid 72 and name HB2 ) 3.6 0.7 0.7 volume=0.635 peak=1851 ppm1=1.238 ppm2=2.580 assign ( resid 46 and name HN ) ( resid 47 and name HN or resid 86 and name HN or resid 89 and name HN ) 3.9 0.8 0.8 volume=0.305 peak=1852 ppm1=9.751 ppm2=8.815 assign ( resid 74 and name HE3 ) ( resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 94 and name HA ) 3.9 0.8 0.8 volume=0.310 peak=1853 ppm1=7.512 ppm2=4.414 assign ( resid 101 and name HE# ) ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 78 and name HD3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 106 and name HE3 or resid 106 and name HE2 ) 4.4 0.9 0.9 volume=0.298 peak=1854 ppm1=7.357 ppm2=3.034 assign ( resid 30 and name HN ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 4.2 0.8 0.8 volume=0.384 peak=1855 ppm1=8.012 ppm2=1.037 assign ( resid 78 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) 3.5 0.7 0.7 volume=0.587 peak=1856 ppm1=8.212 ppm2=1.568 assign ( resid 78 and name HN ) ( resid 37 and name HN or resid 77 and name HN ) 3.2 0.6 0.6 volume=0.932 peak=1857 ppm1=8.205 ppm2=8.058 assign ( resid 44 and name HN ) ( resid 4 and name HD2 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 72 and name HE# or resid 95 and name HD21 ) 3.6 0.7 0.7 volume=0.592 peak=1858 ppm1=7.605 ppm2=6.894 assign ( resid 76 and name HN ) ( resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 90 and name HA or resid 94 and name HA ) 3.9 0.8 0.8 volume=0.323 peak=1859 ppm1=9.435 ppm2=4.407 assign ( resid 10 and name HN ) ( resid 10 and name HG3 or resid 34 and name HB3 ) 3.9 0.8 0.8 volume=0.284 peak=1860 ppm1=8.341 ppm2=2.551 assign ( resid 30 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.7 0.7 0.7 volume=0.404 peak=1861 ppm1=8.011 ppm2=1.571 assign ( resid 78 and name HN ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 4.0 0.8 0.8 volume=0.261 peak=1862 ppm1=8.207 ppm2=1.452 assign ( resid 26 and name HN ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 4.3 0.9 0.9 volume=0.349 peak=1863 ppm1=8.286 ppm2=1.028 assign ( resid 18 and name HN ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 4.1 0.8 0.8 volume=0.216 peak=1864 ppm1=8.628 ppm2=8.135 assign ( resid 69 and name HN ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.8 0.8 0.8 volume=0.375 peak=1865 ppm1=8.490 ppm2=8.251 assign ( resid 14 and name HN ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.8 0.8 0.8 volume=0.363 peak=1866 ppm1=8.376 ppm2=8.555 assign ( resid 70 and name HN ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.7 0.7 0.7 volume=0.409 peak=1867 ppm1=8.241 ppm2=8.493 assign ( resid 8 and name HN ) ( resid 7 and name HN or resid 26 and name HN or resid 98 and name HN or resid 105 and name HN ) 3.9 0.8 0.8 volume=0.297 peak=1868 ppm1=7.949 ppm2=8.298 assign ( resid 40 and name HN ) ( resid 71 and name HE# or resid 74 and name HD1 or resid 74 and name HH2 ) 4.3 0.9 0.9 volume=0.215 peak=1869 ppm1=9.003 ppm2=7.276 assign ( resid 49 and name HN ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 4.0 0.8 0.8 volume=0.245 peak=1870 ppm1=9.184 ppm2=4.462 assign ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA ) 3.1 0.6 0.6 volume=1.139 peak=1871 ppm1=8.496 ppm2=4.253 assign ( resid 88 and name HN ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.9 0.8 0.8 volume=0.308 peak=1872 ppm1=7.798 ppm2=4.362 assign ( resid 37 and name HN ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.7 0.7 0.7 volume=0.419 peak=1873 ppm1=8.055 ppm2=4.308 assign ( resid 25 and name HN ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.4 0.7 0.7 volume=0.744 peak=1874 ppm1=8.394 ppm2=4.065 assign ( resid 34 and name HN ) ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 4.1 0.8 0.8 volume=0.234 peak=1875 ppm1=8.478 ppm2=3.118 assign ( resid 7 and name HN or resid 98 and name HN ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 42 and name HE2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 68 and name HB3 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 ) 3.8 0.8 0.8 volume=0.339 peak=1876 ppm1=8.300 ppm2=2.974 assign ( resid 58 and name HN ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 3.8 0.8 0.8 volume=0.358 peak=1877 ppm1=8.557 ppm2=2.854 assign ( resid 25 and name HN ) ( resid 13 and name HB2 or resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 ) 4.2 0.8 0.8 volume=0.189 peak=1878 ppm1=8.400 ppm2=2.349 assign ( resid 40 and name HN ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 ) 4.3 0.9 0.9 volume=0.205 peak=1879 ppm1=8.999 ppm2=1.240 assign ( resid 23 and name HN ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 4.0 0.8 0.8 volume=0.254 peak=1880 ppm1=9.600 ppm2=1.588 assign ( resid 23 and name HN ) ( resid 22 and name HD1# or resid 55 and name HB# or resid 59 and name HG12 ) 4.4 0.9 0.9 volume=0.257 peak=1881 ppm1=9.598 ppm2=1.350 assign ( resid 70 and name HN ) ( resid 19 and name HG2# or resid 40 and name HG3 or resid 83 and name HG2 ) 4.1 0.8 0.8 volume=0.278 peak=1882 ppm1=8.243 ppm2=1.169 assign ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.7 0.7 0.7 volume=0.412 peak=1883 ppm1=8.545 ppm2=1.697 assign ( resid 32 and name HN ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HG or resid 79 and name HB3 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.9 0.8 0.8 volume=0.328 peak=1884 ppm1=8.616 ppm2=1.704 assign ( resid 13 and name HN ) ( resid 5 and name HB2 or resid 10 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) 4.1 0.8 0.8 volume=0.224 peak=1885 ppm1=8.546 ppm2=1.937 assign ( resid 55 and name HN ) ( resid 12 and name HB2 or resid 40 and name HB2 or resid 54 and name HB3 or resid 56 and name HB2 ) 3.9 0.8 0.8 volume=0.319 peak=1886 ppm1=7.322 ppm2=2.033 assign ( resid 88 and name HN ) ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.9 0.8 0.8 volume=0.324 peak=1887 ppm1=7.803 ppm2=2.002 assign ( resid 96 and name HN or resid 98 and name HN ) ( resid 3 and name HG2 or resid 8 and name HG or resid 15 and name HG3 or resid 25 and name HG2 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HB3 or resid 92 and name HG or resid 92 and name HB2 or resid 97 and name HG or resid 97 and name HB2 ) 3.7 0.7 0.7 volume=0.409 peak=1888 ppm1=8.252 ppm2=1.623 assign ( resid 70 and name HN ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.8 0.8 0.8 volume=0.358 peak=1889 ppm1=8.246 ppm2=1.506 assign ( resid 88 and name HN ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.8 0.8 0.8 volume=0.372 peak=1890 ppm1=7.801 ppm2=1.477 assign ( resid 82 and name HN ) ( resid 37 and name HA or resid 65 and name HA or resid 80 and name HA1 or resid 93 and name HA2 ) 3.9 0.8 0.8 volume=0.308 peak=1891 ppm1=9.251 ppm2=3.990 assign ( resid 22 and name HN ) ( resid 2 and name HA or resid 34 and name HA or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.9 0.8 0.8 volume=0.294 peak=1892 ppm1=9.303 ppm2=4.520 assign ( resid 24 and name HN ) ( resid 7 and name HN or resid 16 and name HN or resid 26 and name HN or resid 98 and name HN or resid 100 and name HN or resid 103 and name HN or resid 105 and name HN ) 4.3 0.9 0.9 volume=0.179 peak=1893 ppm1=9.006 ppm2=8.288 assign ( resid 61 and name HN ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 4.6 0.9 0.9 volume=0.239 peak=1894 ppm1=8.176 ppm2=1.021 assign ( resid 62 and name HN ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.8 1.0 1.0 volume=0.278 peak=1895 ppm1=7.841 ppm2=0.888 assign ( resid 32 and name HN ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 81 and name HB2 ) 4.3 0.9 0.9 volume=0.183 peak=1896 ppm1=8.618 ppm2=2.120 assign ( resid 25 and name HN or resid 35 and name HN or resid 48 and name HN ) ( resid 6 and name HB2 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 82 and name HA ) 3.9 0.8 0.8 volume=0.298 peak=1897 ppm1=8.389 ppm2=3.218 assign ( resid 77 and name HN ) ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 94 and name HB3 ) 3.8 0.8 0.8 volume=0.374 peak=1898 ppm1=8.059 ppm2=3.872 assign ( resid 81 and name HN ) ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 94 and name HB3 ) 3.8 0.8 0.8 volume=0.331 peak=1899 ppm1=8.443 ppm2=3.873 assign ( resid 6 and name HN ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) 4.0 0.8 0.8 volume=0.279 peak=1900 ppm1=8.193 ppm2=4.210 assign ( resid 81 and name HN ) ( resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 4.1 0.8 0.8 volume=0.215 peak=1901 ppm1=8.437 ppm2=7.627 assign ( resid 77 and name HN ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.2 0.6 0.6 volume=1.008 peak=1902 ppm1=8.057 ppm2=8.205 assign ( resid 77 and name HN ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.5 0.7 0.7 volume=0.627 peak=1903 ppm1=8.058 ppm2=8.137 assign ( resid 91 and name HN ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.8 0.8 0.8 volume=0.343 peak=1904 ppm1=8.234 ppm2=8.890 assign ( resid 91 and name HN ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.9 0.8 0.8 volume=0.284 peak=1905 ppm1=8.249 ppm2=8.886 assign ( resid 33 and name HN ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 4.3 0.9 0.9 volume=0.177 peak=1906 ppm1=7.654 ppm2=8.386 assign ( resid 27 and name HN ) ( resid 28 and name HN or resid 52 and name HN ) 3.9 0.8 0.8 volume=0.291 peak=1907 ppm1=7.181 ppm2=7.916 assign ( resid 57 and name HN ) ( resid 27 and name HN or resid 57 and name HD21 or resid 83 and name HN ) 3.9 0.8 0.8 volume=0.321 peak=1908 ppm1=7.645 ppm2=7.197 assign ( resid 83 and name HN ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 3.9 0.8 0.8 volume=0.308 peak=1909 ppm1=7.198 ppm2=4.463 assign ( resid 83 and name HN ) ( resid 19 and name HB or resid 81 and name HA ) 3.8 0.8 0.8 volume=0.341 peak=1910 ppm1=7.198 ppm2=4.177 assign ( resid 57 and name HN ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.9 0.8 0.8 volume=0.302 peak=1911 ppm1=7.651 ppm2=4.058 assign ( resid 33 and name HN ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) 4.1 0.8 0.8 volume=0.242 peak=1912 ppm1=7.651 ppm2=4.208 assign ( resid 41 and name HN ) ( resid 9 and name HA or resid 25 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.8 0.8 0.8 volume=0.358 peak=1913 ppm1=7.648 ppm2=4.314 assign ( resid 83 and name HN ) ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 ) 4.2 0.8 0.8 volume=0.210 peak=1914 ppm1=7.196 ppm2=2.670 assign ( resid 41 and name HN ) ( resid 7 and name HB3 or resid 23 and name HB2 or resid 40 and name HE2 or resid 71 and name HB3 or resid 72 and name HB2 ) 4.2 0.8 0.8 volume=0.196 peak=1915 ppm1=7.645 ppm2=2.607 assign ( resid 41 and name HN ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) 3.7 0.7 0.7 volume=0.397 peak=1916 ppm1=7.641 ppm2=1.872 assign ( resid 41 and name HN ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.5 0.7 0.7 volume=0.608 peak=1917 ppm1=7.642 ppm2=1.774 assign ( resid 27 and name HN ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 4.1 0.8 0.8 volume=0.223 peak=1918 ppm1=7.184 ppm2=2.094 assign ( resid 29 and name HN ) ( resid 20 and name HN or resid 30 and name HN ) 3.9 0.8 0.8 volume=0.291 peak=1919 ppm1=7.537 ppm2=8.022 assign ( resid 35 and name HN ) ( resid 36 and name HN ) 4.2 0.8 0.8 volume=0.204 peak=1920 ppm1=8.385 ppm2=8.723 assign ( resid 50 and name HN or resid 56 and name HN ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN ) 3.6 0.7 0.7 volume=0.466 peak=1921 ppm1=7.848 ppm2=7.652 assign ( resid 35 and name HN ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 70 and name HA or resid 84 and name HA ) 3.5 0.7 0.7 volume=0.569 peak=1922 ppm1=8.376 ppm2=4.489 assign ( resid 35 and name HN ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.7 0.7 0.7 volume=0.407 peak=1923 ppm1=8.389 ppm2=3.479 assign ( resid 28 and name HN ) ( resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 83 and name HE3 or resid 83 and name HE2 ) 3.9 0.8 0.8 volume=0.305 peak=1924 ppm1=7.916 ppm2=2.940 assign ( resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.9 0.8 0.8 volume=0.284 peak=1925 ppm1=7.846 ppm2=2.858 assign ( resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 ) 3.9 0.8 0.8 volume=0.304 peak=1926 ppm1=7.848 ppm2=2.746 assign ( resid 28 and name HN ) ( resid 27 and name HB3 or resid 33 and name HB3 or resid 57 and name HB3 ) 4.2 0.8 0.8 volume=0.207 peak=1927 ppm1=7.920 ppm2=2.496 assign ( resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.9 0.8 0.8 volume=0.285 peak=1928 ppm1=7.845 ppm2=1.461 assign ( resid 62 and name HD21 ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.8 1.0 1.0 volume=0.257 peak=1929 ppm1=7.368 ppm2=0.916 assign ( resid 35 and name HN ) ( resid 34 and name HN or resid 67 and name HN or resid 81 and name HN ) 3.4 0.7 0.7 volume=0.740 peak=1930 ppm1=8.377 ppm2=8.466 assign ( resid 20 and name HN ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.7 0.7 0.7 volume=0.400 peak=1931 ppm1=7.990 ppm2=8.133 assign ( resid 52 and name HN ) ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) 4.1 0.8 0.8 volume=0.230 peak=1932 ppm1=7.921 ppm2=4.118 assign ( resid 52 and name HN ) ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 94 and name HB2 ) 4.1 0.8 0.8 volume=0.232 peak=1933 ppm1=7.915 ppm2=3.864 assign ( resid 80 and name HN ) ( resid 19 and name HB or resid 81 and name HA or resid 102 and name HA ) 4.0 0.8 0.8 volume=0.279 peak=1934 ppm1=7.716 ppm2=4.179 assign ( resid 57 and name HD22 ) ( resid 9 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) 3.8 0.8 0.8 volume=0.346 peak=1935 ppm1=6.624 ppm2=4.327 assign ( resid 27 and name HN or resid 57 and name HD21 or resid 83 and name HN ) ( resid 9 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 86 and name HA or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) 3.7 0.7 0.7 volume=0.412 peak=1936 ppm1=7.198 ppm2=4.333 assign ( resid 88 and name HE ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.9 0.8 0.8 volume=0.302 peak=1937 ppm1=7.621 ppm2=1.454 assign ( resid 80 and name HN ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.9 0.8 0.8 volume=0.319 peak=1938 ppm1=7.719 ppm2=1.675 assign ( resid 80 and name HN ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) 4.0 0.8 0.8 volume=0.269 peak=1939 ppm1=7.717 ppm2=1.515 assign ( resid 20 and name HN ) ( resid 13 and name HG3 or resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 60 and name HG12 or resid 81 and name HB3 ) 4.0 0.8 0.8 volume=0.277 peak=1940 ppm1=7.995 ppm2=1.534 assign ( resid 80 and name HN ) ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD2# or resid 107 and name HG1# ) 4.6 0.9 0.9 volume=0.327 peak=1941 ppm1=7.718 ppm2=0.867 assign ( resid 34 and name HN ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 3.8 0.8 0.8 volume=0.332 peak=1942 ppm1=8.471 ppm2=8.622 assign ( resid 4 and name HE1 or resid 85 and name HN or resid 88 and name HN or resid 107 and name HN ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 24 and name HA or resid 31 and name HD2 or resid 80 and name HA2 or resid 87 and name HD2 ) 4.0 0.8 0.8 volume=0.268 peak=1943 ppm1=7.783 ppm2=4.098 assign ( resid 96 and name HN or resid 98 and name HN ) ( resid 9 and name HA or resid 25 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) 3.5 0.7 0.7 volume=0.619 peak=1944 ppm1=8.256 ppm2=4.323 assign ( resid 24 and name HN or resid 40 and name HN or resid 42 and name HN ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.9 0.8 0.8 volume=0.286 peak=1945 ppm1=9.007 ppm2=1.774 assign ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.9 0.8 0.8 volume=0.283 peak=1946 ppm1=8.896 ppm2=1.752 assign ( resid 4 and name HE1 or resid 85 and name HN or resid 88 and name HN ) ( resid 12 and name HN ) 4.0 0.8 0.8 volume=0.276 peak=1947 ppm1=7.805 ppm2=9.517 assign ( resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) ( resid 72 and name HN ) 3.9 0.8 0.8 volume=0.289 peak=1948 ppm1=3.711 ppm2=9.335 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 70 and name HB# ) ( resid 22 and name HN ) 4.3 0.9 0.9 volume=0.317 peak=1949 ppm1=1.015 ppm2=9.289 assign ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HG2 ) ( resid 22 and name HN ) 3.8 0.8 0.8 volume=0.406 peak=1950 ppm1=1.102 ppm2=9.291 assign ( resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) ( resid 22 and name HN ) 4.1 0.8 0.8 volume=0.320 peak=1951 ppm1=1.078 ppm2=9.288 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 40 and name HD3 or resid 59 and name HG2# or resid 65 and name HG1# ) ( resid 22 and name HN ) 4.2 0.8 0.8 volume=0.319 peak=1952 ppm1=1.047 ppm2=9.294 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 82 and name HN ) 3.8 0.8 0.8 volume=0.348 peak=1953 ppm1=1.854 ppm2=9.249 assign ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) ( resid 74 and name HN ) 3.9 0.8 0.8 volume=0.292 peak=1954 ppm1=3.128 ppm2=9.047 assign ( resid 29 and name HG3 ) ( resid 29 and name HE3 or resid 38 and name HD3 or resid 64 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 4.0 0.8 0.8 volume=0.279 peak=1955 ppm1=0.387 ppm2=2.785 assign ( resid 43 and name HG1# ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HG or resid 79 and name HB3 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 4.6 0.9 0.9 volume=0.323 peak=1956 ppm1=0.453 ppm2=1.706 assign ( resid 29 and name HG3 ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.7 0.7 0.7 volume=0.399 peak=1957 ppm1=0.388 ppm2=1.573 assign ( resid 43 and name HG1# ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 4.4 0.9 0.9 volume=0.425 peak=1958 ppm1=0.449 ppm2=1.588 assign ( resid 29 and name HG3 ) ( resid 29 and name HD3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.9 0.8 0.8 volume=0.320 peak=1959 ppm1=0.395 ppm2=1.420 assign ( resid 15 and name HA or resid 42 and name HA or resid 87 and name HD3 ) ( resid 43 and name HG2# ) 4.2 0.8 0.8 volume=0.607 peak=1960 ppm1=3.708 ppm2=-0.123 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 22 and name HA ) 3.7 0.7 0.7 volume=0.413 peak=1961 ppm1=1.513 ppm2=6.030 assign ( resid 59 and name HD1# ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 ) 3.9 0.8 0.8 volume=1.181 peak=1962 ppm1=0.579 ppm2=1.228 assign ( resid 59 and name HD1# ) ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 4.3 0.9 0.9 volume=0.503 peak=1963 ppm1=0.578 ppm2=1.412 assign ( resid 59 and name HD1# ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.8 1.0 1.0 volume=0.785 peak=1964 ppm1=0.590 ppm2=0.915 assign ( resid 21 and name HD1# ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 3.7 0.7 0.7 volume=1.616 peak=1965 ppm1=0.592 ppm2=1.087 assign ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 71 and name HZ or resid 101 and name HZ ) 3.8 0.8 0.8 volume=0.449 peak=1966 ppm1=2.867 ppm2=7.324 assign ( resid 12 and name HG or resid 55 and name HB# or resid 59 and name HG12 ) ( resid 27 and name HN or resid 57 and name HD21 or resid 83 and name HN ) 4.0 0.8 0.8 volume=0.315 peak=1967 ppm1=1.320 ppm2=7.196 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.7 0.7 0.7 volume=0.452 peak=1968 ppm1=1.500 ppm2=8.404 assign ( resid 10 and name HG3 or resid 34 and name HB3 ) ( resid 34 and name HN or resid 67 and name HN or resid 81 and name HN ) 3.9 0.8 0.8 volume=0.310 peak=1969 ppm1=2.534 ppm2=8.467 assign ( resid 10 and name HG3 or resid 34 and name HB3 ) ( resid 3 and name HN or resid 10 and name HN or resid 105 and name HN ) 4.0 0.8 0.8 volume=0.276 peak=1970 ppm1=2.559 ppm2=8.339 assign ( resid 7 and name HB2 or resid 58 and name HB2 or resid 71 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 98 and name HB2 ) ( resid 8 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 3.8 0.8 0.8 volume=0.336 peak=1971 ppm1=2.638 ppm2=7.947 assign ( resid 8 and name HD2# or resid 9 and name HD1# or resid 92 and name HD2# or resid 97 and name HD2# ) ( resid 8 and name HN or resid 28 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 4.3 0.9 0.9 volume=0.484 peak=1972 ppm1=0.831 ppm2=7.946 assign ( resid 90 and name HD1# ) ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD2# or resid 107 and name HG1# ) 3.3 0.7 0.7 volume=7.602 peak=1973 ppm1=0.740 ppm2=0.868 assign ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 38 and name HA or resid 50 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 96 and name HA ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 4.0 0.8 0.8 volume=0.282 peak=1974 ppm1=4.248 ppm2=8.491 assign ( resid 13 and name HE2 ) ( resid 5 and name HB2 or resid 10 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB3 ) 3.5 0.7 0.7 volume=0.598 peak=1975 ppm1=3.167 ppm2=1.928 assign ( resid 6 and name HB2 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 82 and name HA ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) 2.9 0.6 0.6 volume=1.753 peak=1976 ppm1=3.225 ppm2=1.857 assign ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) 3.2 0.6 0.6 volume=1.024 peak=1977 ppm1=3.167 ppm2=1.866 assign ( resid 13 and name HE3 or resid 44 and name HD3 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) 3.6 0.7 0.7 volume=0.494 peak=1978 ppm1=3.063 ppm2=1.866 assign ( resid 3 and name HD3 or resid 3 and name HD2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HG or resid 79 and name HB3 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.2 0.6 0.6 volume=1.012 peak=1979 ppm1=3.149 ppm2=1.711 assign ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) ( resid 8 and name HG or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 ) 3.1 0.6 0.6 volume=1.146 peak=1980 ppm1=3.136 ppm2=1.658 assign ( resid 6 and name HB2 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 82 and name HA ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 31 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 ) 3.0 0.6 0.6 volume=1.581 peak=1981 ppm1=3.226 ppm2=1.605 assign ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 2.8 0.6 0.6 volume=2.417 peak=1982 ppm1=3.137 ppm2=1.486 assign ( resid 3 and name HD3 or resid 3 and name HD2 or resid 32 and name HB or resid 44 and name HD2 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) 2.8 0.6 0.6 volume=2.471 peak=1983 ppm1=3.143 ppm2=1.523 assign ( resid 3 and name HD3 or resid 3 and name HD2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.3 0.7 0.7 volume=0.911 peak=1984 ppm1=3.149 ppm2=1.773 assign ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) 3.0 0.6 0.6 volume=1.464 peak=1985 ppm1=3.166 ppm2=1.567 assign ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) ( resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HB3 or resid 97 and name HB3 ) 3.0 0.6 0.6 volume=1.471 peak=1986 ppm1=3.136 ppm2=1.560 assign ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 81 and name HB2 or resid 87 and name HB3 ) 2.9 0.6 0.6 volume=2.020 peak=1987 ppm1=2.426 ppm2=2.123 assign ( resid 7 and name HB3 or resid 23 and name HB2 or resid 40 and name HE2 or resid 71 and name HB3 or resid 72 and name HB2 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 2.5 0.5 0.5 volume=4.357 peak=1988 ppm1=2.591 ppm2=2.438 assign ( resid 10 and name HG3 or resid 34 and name HB3 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 2.7 0.5 0.5 volume=2.883 peak=1989 ppm1=2.551 ppm2=2.436 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 7 and name HB3 or resid 23 and name HB2 or resid 40 and name HE2 or resid 71 and name HB3 or resid 72 and name HB2 ) 2.5 0.5 0.5 volume=4.050 peak=1990 ppm1=2.437 ppm2=2.585 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 10 and name HG3 or resid 34 and name HB3 ) 2.7 0.5 0.5 volume=2.941 peak=1991 ppm1=2.434 ppm2=2.551 assign ( resid 12 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 ) ( resid 54 and name HB2 or resid 75 and name HB3 or resid 87 and name HB2 or resid 102 and name HG2 ) 2.7 0.5 0.5 volume=3.009 peak=1992 ppm1=2.052 ppm2=2.227 assign ( resid 6 and name HB2 or resid 33 and name HB2 or resid 46 and name HB2 or resid 82 and name HA ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 42 and name HE2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 68 and name HB3 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 2.5 0.5 0.5 volume=4.237 peak=1993 ppm1=3.241 ppm2=2.976 assign ( resid 6 and name HB2 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 82 and name HA ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 42 and name HE2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 68 and name HB3 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 2.7 0.5 0.5 volume=2.962 peak=1994 ppm1=3.226 ppm2=2.977 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 15 and name HG3 or resid 22 and name HG or resid 25 and name HG2 or resid 31 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 6 and name HB2 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 82 and name HA ) 3.1 0.6 0.6 volume=1.111 peak=1995 ppm1=1.601 ppm2=3.222 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 44 and name HD2 or resid 73 and name HB2 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) 3.0 0.6 0.6 volume=1.349 peak=1996 ppm1=1.571 ppm2=3.162 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 ) ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) 3.3 0.7 0.7 volume=0.863 peak=1997 ppm1=1.777 ppm2=3.152 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 44 and name HD2 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) 3.3 0.7 0.7 volume=0.893 peak=1998 ppm1=1.767 ppm2=3.155 assign ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) ( resid 3 and name HD3 or resid 3 and name HD2 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.2 0.6 0.6 volume=1.028 peak=1999 ppm1=1.717 ppm2=3.142 assign ( resid 8 and name HG or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 83 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 ) ( resid 3 and name HD3 or resid 3 and name HD2 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.2 0.6 0.6 volume=0.938 peak=2000 ppm1=1.659 ppm2=3.135 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 2.8 0.6 0.6 volume=2.111 peak=2001 ppm1=1.528 ppm2=3.149 assign ( resid 9 and name HG12 or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 3 and name HD3 or resid 3 and name HD2 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 2.8 0.6 0.6 volume=2.306 peak=2002 ppm1=1.485 ppm2=3.136 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) ( resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.2 0.6 0.6 volume=0.984 peak=2003 ppm1=1.573 ppm2=3.135 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 6 and name HB2 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 82 and name HA ) 3.1 0.6 0.6 volume=1.258 peak=2004 ppm1=1.866 ppm2=3.223 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 6 and name HB2 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 82 and name HA ) 3.1 0.6 0.6 volume=1.218 peak=2005 ppm1=1.855 ppm2=3.223 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 66 and name HA1 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) 3.2 0.6 0.6 volume=0.923 peak=2006 ppm1=1.864 ppm2=3.172 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 31 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.2 0.6 0.6 volume=0.994 peak=2007 ppm1=1.600 ppm2=3.011 assign ( resid 9 and name HG12 or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 4 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 2.9 0.6 0.6 volume=1.718 peak=2008 ppm1=1.486 ppm2=3.014 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 42 and name HE2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 68 and name HB3 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 ) 3.2 0.6 0.6 volume=0.966 peak=2009 ppm1=1.518 ppm2=2.972 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 8 and name HG or resid 15 and name HG3 or resid 25 and name HG2 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HG or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB2 ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) 2.8 0.6 0.6 volume=2.063 peak=2010 ppm1=1.617 ppm2=2.961 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) 3.2 0.6 0.6 volume=1.061 peak=2011 ppm1=1.570 ppm2=2.956 assign ( resid 13 and name HG3 or resid 29 and name HB2 or resid 32 and name HG13 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) 3.2 0.6 0.6 volume=1.057 peak=2012 ppm1=1.549 ppm2=2.960 assign ( resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 104 and name HB2 or resid 105 and name HB3 ) ( resid 13 and name HE3 or resid 34 and name HB2 or resid 44 and name HD3 or resid 100 and name HB2 ) 3.3 0.7 0.7 volume=0.858 peak=2013 ppm1=1.799 ppm2=3.062 assign ( resid 10 and name HB3 or resid 104 and name HB2 or resid 105 and name HB3 ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.4 0.7 0.7 volume=0.705 peak=2014 ppm1=1.821 ppm2=3.006 assign ( resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 104 and name HB2 or resid 105 and name HB3 ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.4 0.7 0.7 volume=0.693 peak=2015 ppm1=1.795 ppm2=3.007 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 ) 3.4 0.7 0.7 volume=0.750 peak=2016 ppm1=1.754 ppm2=2.966 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) 3.5 0.7 0.7 volume=0.624 peak=2017 ppm1=1.775 ppm2=2.965 assign ( resid 40 and name HB3 or resid 87 and name HG3 or resid 89 and name HG13 ) ( resid 12 and name HB2 or resid 25 and name HB3 or resid 40 and name HB2 or resid 54 and name HB3 or resid 56 and name HB2 ) 3.1 0.6 0.6 volume=1.262 peak=2018 ppm1=1.381 ppm2=2.029 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 3.0 0.6 0.6 volume=1.415 peak=2019 ppm1=1.475 ppm2=1.977 assign ( resid 8 and name HG or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 2.7 0.5 0.5 volume=3.067 peak=2020 ppm1=1.664 ppm2=1.985 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) ( resid 5 and name HB2 or resid 10 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB3 ) 2.8 0.6 0.6 volume=2.464 peak=2021 ppm1=1.569 ppm2=1.933 assign ( resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) 2.6 0.5 0.5 volume=3.466 peak=2022 ppm1=1.560 ppm2=1.861 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 ) 2.6 0.5 0.5 volume=3.806 peak=2023 ppm1=1.762 ppm2=2.014 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 2.8 0.6 0.6 volume=2.406 peak=2024 ppm1=1.871 ppm2=2.131 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 81 and name HB2 ) 2.8 0.6 0.6 volume=2.490 peak=2025 ppm1=1.856 ppm2=2.114 assign ( resid 5 and name HB2 or resid 13 and name HG2 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) ( resid 37 and name HB or resid 67 and name HB or resid 87 and name HB2 or resid 102 and name HG2 or resid 102 and name HG3 ) 3.0 0.6 0.6 volume=1.381 peak=2026 ppm1=1.894 ppm2=2.193 assign ( resid 5 and name HB2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 60 and name HB or resid 78 and name HB3 or resid 107 and name HB ) 2.8 0.6 0.6 volume=2.591 peak=2027 ppm1=1.911 ppm2=2.108 assign ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) ( resid 54 and name HB2 or resid 87 and name HB2 or resid 102 and name HG2 or resid 102 and name HG3 ) 2.8 0.6 0.6 volume=2.255 peak=2028 ppm1=1.978 ppm2=2.202 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) 2.6 0.5 0.5 volume=3.420 peak=2029 ppm1=1.768 ppm2=1.398 assign ( resid 5 and name HB2 or resid 10 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) 2.6 0.5 0.5 volume=3.210 peak=2030 ppm1=1.934 ppm2=1.569 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 8 and name HG or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 2.6 0.5 0.5 volume=3.266 peak=2031 ppm1=1.989 ppm2=1.664 assign ( resid 25 and name HB3 or resid 40 and name HB2 or resid 56 and name HB2 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 2.5 0.5 0.5 volume=4.758 peak=2032 ppm1=2.022 ppm2=1.762 assign ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) 2.6 0.5 0.5 volume=3.270 peak=2033 ppm1=1.979 ppm2=1.856 assign ( resid 54 and name HB2 or resid 87 and name HB2 or resid 102 and name HG2 or resid 102 and name HG3 ) ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 2.7 0.5 0.5 volume=2.548 peak=2034 ppm1=2.209 ppm2=1.991 assign ( resid 87 and name HB2 or resid 102 and name HG2 or resid 102 and name HG3 ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 89 and name HB or resid 102 and name HB3 ) 3.0 0.6 0.6 volume=1.416 peak=2035 ppm1=2.204 ppm2=1.913 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 2.7 0.5 0.5 volume=8.051 peak=2036 ppm1=1.752 ppm2=0.918 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 2.6 0.5 0.5 volume=9.373 peak=2037 ppm1=1.593 ppm2=0.896 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 67 and name HG2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# ) 2.7 0.5 0.5 volume=8.903 peak=2038 ppm1=1.753 ppm2=0.877 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 8 and name HD2# or resid 9 and name HG2# or resid 9 and name HD1# or resid 79 and name HD2# or resid 90 and name HD2# or resid 92 and name HD2# or resid 97 and name HD2# ) 2.7 0.5 0.5 volume=7.680 peak=2039 ppm1=1.594 ppm2=0.844 assign ( resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 97 and name HD2# or resid 107 and name HG1# ) 3.0 0.6 0.6 volume=4.737 peak=2040 ppm1=1.480 ppm2=0.869 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 2.9 0.6 0.6 volume=3.761 peak=2041 ppm1=1.578 ppm2=1.027 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 3.0 0.6 0.6 volume=2.465 peak=2042 ppm1=1.572 ppm2=0.776 assign ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 21 and name HD2# or resid 90 and name HD1# ) 3.2 0.6 0.6 volume=3.088 peak=2043 ppm1=1.490 ppm2=0.735 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 21 and name HD2# or resid 90 and name HD1# ) 3.3 0.7 0.7 volume=2.367 peak=2044 ppm1=1.578 ppm2=0.727 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 3.3 0.7 0.7 volume=1.519 peak=2045 ppm1=1.511 ppm2=0.780 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 21 and name HD2# or resid 90 and name HD1# ) 3.2 0.6 0.6 volume=3.171 peak=2046 ppm1=1.514 ppm2=0.723 assign ( resid 9 and name HG12 or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 3.3 0.7 0.7 volume=1.533 peak=2047 ppm1=1.485 ppm2=0.785 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 92 and name HD2# or resid 97 and name HD2# ) 3.1 0.6 0.6 volume=3.614 peak=2048 ppm1=1.467 ppm2=0.825 assign ( resid 12 and name HG or resid 59 and name HG12 or resid 83 and name HG3 ) ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 67 and name HG2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# ) 3.3 0.7 0.7 volume=2.576 peak=2049 ppm1=1.301 ppm2=0.878 assign ( resid 22 and name HD1# or resid 55 and name HB# ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 3.3 0.7 0.7 volume=4.644 peak=2050 ppm1=1.355 ppm2=1.026 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 70 and name HB# ) 3.1 0.6 0.6 volume=2.126 peak=2051 ppm1=1.522 ppm2=1.013 assign ( resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HB3 or resid 97 and name HB3 ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 65 and name HG2# ) 3.1 0.6 0.6 volume=2.368 peak=2052 ppm1=1.562 ppm2=0.954 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 9 and name HG13 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HG2 or resid 42 and name HG2 ) 2.6 0.5 0.5 volume=3.733 peak=2053 ppm1=1.473 ppm2=1.115 assign ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 105 and name HG2 or resid 105 and name HG3 ) ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD2# or resid 107 and name HG1# ) 3.2 0.6 0.6 volume=3.106 peak=2054 ppm1=1.413 ppm2=0.868 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 92 and name HD2# or resid 97 and name HD2# ) 3.4 0.7 0.7 volume=2.030 peak=2055 ppm1=1.763 ppm2=0.825 assign ( resid 29 and name HD3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 87 and name HG3 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) ( resid 21 and name HD2# or resid 90 and name HD1# ) 3.6 0.7 0.7 volume=1.545 peak=2056 ppm1=1.423 ppm2=0.740 assign ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) ( resid 12 and name HD1# or resid 45 and name HG1# ) 3.2 0.6 0.6 volume=4.992 peak=2057 ppm1=0.794 ppm2=0.632 assign ( resid 40 and name HB3 or resid 87 and name HG3 or resid 89 and name HG13 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 2.6 0.5 0.5 volume=3.131 peak=2058 ppm1=1.391 ppm2=1.757 assign ( resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 2.6 0.5 0.5 volume=3.436 peak=2059 ppm1=1.396 ppm2=1.684 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 2.6 0.5 0.5 volume=3.426 peak=2060 ppm1=1.511 ppm2=1.762 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 2.7 0.5 0.5 volume=3.098 peak=2061 ppm1=1.510 ppm2=1.700 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 2.8 0.6 0.6 volume=2.324 peak=2062 ppm1=1.469 ppm2=1.756 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HG or resid 79 and name HB3 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 2.5 0.5 0.5 volume=4.807 peak=2063 ppm1=1.470 ppm2=1.703 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 2.4 0.5 0.5 volume=5.740 peak=2064 ppm1=1.453 ppm2=1.690 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 8 and name HG or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 ) 2.9 0.6 0.6 volume=1.894 peak=2065 ppm1=1.477 ppm2=1.657 assign ( resid 22 and name HD1# or resid 55 and name HB# ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 31 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.4 0.7 0.7 volume=1.921 peak=2066 ppm1=1.357 ppm2=1.603 assign ( resid 22 and name HD1# or resid 55 and name HB# ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.4 0.7 0.7 volume=2.201 peak=2067 ppm1=1.354 ppm2=1.582 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 8 and name HG or resid 15 and name HG3 or resid 25 and name HG2 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB2 ) 2.6 0.5 0.5 volume=3.270 peak=2068 ppm1=1.452 ppm2=1.617 assign ( resid 15 and name HG2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 87 and name HB3 or resid 102 and name HG3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 94 and name HA ) 2.9 0.6 0.6 volume=1.808 peak=2069 ppm1=2.170 ppm2=4.388 assign ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 81 and name HB2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 2.9 0.6 0.6 volume=1.973 peak=2070 ppm1=2.124 ppm2=4.370 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 2.9 0.6 0.6 volume=1.948 peak=2071 ppm1=1.985 ppm2=4.370 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 2.9 0.6 0.6 volume=1.919 peak=2072 ppm1=1.857 ppm2=4.373 assign ( resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HB3 or resid 97 and name HB3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.0 0.6 0.6 volume=1.538 peak=2073 ppm1=1.566 ppm2=4.375 assign ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) ( resid 14 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 86 and name HA or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) 3.0 0.6 0.6 volume=1.475 peak=2074 ppm1=1.953 ppm2=4.339 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 9 and name HA or resid 25 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) 2.7 0.5 0.5 volume=2.806 peak=2075 ppm1=1.593 ppm2=4.323 assign ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 81 and name HB2 ) ( resid 3 and name HA or resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.0 0.6 0.6 volume=1.569 peak=2076 ppm1=2.122 ppm2=4.293 assign ( resid 5 and name HG3 or resid 5 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) ( resid 3 and name HA or resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.9 0.6 0.6 volume=1.858 peak=2077 ppm1=2.092 ppm2=4.293 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 3 and name HA or resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 77 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.6 0.5 0.5 volume=3.245 peak=2078 ppm1=1.997 ppm2=4.289 assign ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) ( resid 3 and name HA or resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.0 0.6 0.6 volume=1.612 peak=2079 ppm1=2.136 ppm2=4.281 assign ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 60 and name HB or resid 81 and name HB2 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.9 0.6 0.6 volume=1.863 peak=2080 ppm1=2.125 ppm2=4.270 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.8 0.6 0.6 volume=2.228 peak=2081 ppm1=1.871 ppm2=4.272 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.6 0.5 0.5 volume=3.413 peak=2082 ppm1=1.760 ppm2=4.271 assign ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name 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and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.8 0.6 0.6 volume=2.281 peak=2085 ppm1=1.580 ppm2=4.274 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.0 0.6 0.6 volume=1.598 peak=2086 ppm1=1.515 ppm2=4.270 assign ( resid 22 and name HD1# or resid 55 and name HB# ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA ) 3.5 0.7 0.7 volume=1.714 peak=2087 ppm1=1.356 ppm2=4.255 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 81 and name HA or resid 102 and name HA ) 3.0 0.6 0.6 volume=1.598 peak=2088 ppm1=1.512 ppm2=4.183 assign ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 102 and name HB3 ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.0 0.6 0.6 volume=1.477 peak=2089 ppm1=1.916 ppm2=4.211 assign ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.1 0.6 0.6 volume=1.156 peak=2090 ppm1=2.425 ppm2=4.366 assign ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.4 0.7 0.7 volume=0.644 peak=2091 ppm1=2.363 ppm2=4.373 assign ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.4 0.7 0.7 volume=0.699 peak=2092 ppm1=2.352 ppm2=4.370 assign ( resid 13 and name HB2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.4 0.7 0.7 volume=0.670 peak=2093 ppm1=2.329 ppm2=4.373 assign ( resid 17 and name HB or resid 75 and name HB3 or resid 75 and name HB2 ) ( resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 90 and name HA or resid 94 and name HA ) 3.2 0.6 0.6 volume=0.962 peak=2094 ppm1=2.269 ppm2=4.408 assign ( resid 54 and name HB2 or resid 87 and name HB2 or resid 102 and name HG2 ) ( resid 9 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) 3.3 0.7 0.7 volume=0.900 peak=2095 ppm1=2.229 ppm2=4.331 assign ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 81 and name HB2 ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) 2.9 0.6 0.6 volume=2.011 peak=2096 ppm1=2.121 ppm2=4.200 assign ( resid 12 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 ) ( resid 9 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) 3.2 0.6 0.6 volume=0.973 peak=2097 ppm1=2.055 ppm2=4.330 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 5 and name HA or resid 20 and name HA2 or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.4 0.7 0.7 volume=0.662 peak=2098 ppm1=1.991 ppm2=4.217 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.5 0.7 0.7 volume=0.560 peak=2099 ppm1=1.995 ppm2=3.633 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.3 0.7 0.7 volume=0.796 peak=2100 ppm1=1.861 ppm2=4.208 assign ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.2 0.6 0.6 volume=1.013 peak=2101 ppm1=1.932 ppm2=4.271 assign ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 92 and name HA or resid 106 and name HA ) 3.4 0.7 0.7 volume=0.677 peak=2102 ppm1=1.763 ppm2=4.355 assign ( resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 81 and name HD3 or resid 81 and name HD2 or resid 104 and name HB2 or resid 105 and name HB3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.3 0.7 0.7 volume=0.836 peak=2103 ppm1=1.793 ppm2=4.372 assign ( resid 10 and name HB3 or resid 13 and name HD3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 104 and name HB2 or resid 105 and name HB3 ) ( resid 3 and name HA or resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.2 0.6 0.6 volume=0.968 peak=2104 ppm1=1.814 ppm2=4.286 assign ( resid 31 and name HG2 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 104 and name HB3 or resid 106 and name HB3 ) ( resid 5 and name HA or resid 20 and name HA2 or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.2 0.6 0.6 volume=1.028 peak=2105 ppm1=1.725 ppm2=4.216 assign ( resid 8 and name HG or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB3 ) ( resid 5 and name HA or resid 20 and name HA2 or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.2 0.6 0.6 volume=0.959 peak=2106 ppm1=1.666 ppm2=4.218 assign ( resid 8 and name HG or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 83 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.4 0.7 0.7 volume=0.692 peak=2107 ppm1=1.652 ppm2=4.209 assign ( resid 9 and name HG12 or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.3 0.7 0.7 volume=0.812 peak=2108 ppm1=1.485 ppm2=4.379 assign ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.2 0.6 0.6 volume=1.068 peak=2109 ppm1=1.410 ppm2=4.374 assign ( resid 40 and name HB3 or resid 87 and name HG3 or resid 89 and name HG13 ) ( resid 3 and name HA or resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.3 0.7 0.7 volume=0.895 peak=2110 ppm1=1.383 ppm2=4.286 assign ( resid 22 and name HD1# or resid 55 and name HB# or resid 59 and name HG12 ) ( resid 9 and name HA or resid 35 and name HB2 or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 86 and name HA or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) 3.8 0.8 0.8 volume=0.595 peak=2111 ppm1=1.338 ppm2=4.335 assign ( resid 12 and name HG or resid 83 and name HG3 ) ( resid 3 and name HA or resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.4 0.7 0.7 volume=0.698 peak=2112 ppm1=1.280 ppm2=4.280 assign ( resid 9 and name HG13 or resid 39 and name HB3 or resid 42 and name HG2 ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.2 0.6 0.6 volume=1.064 peak=2113 ppm1=1.124 ppm2=4.304 assign ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.3 0.7 0.7 volume=1.086 peak=2114 ppm1=1.090 ppm2=4.306 assign ( resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 59 and name HG2# or resid 65 and name HG1# ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA ) 3.6 0.7 0.7 volume=0.814 peak=2115 ppm1=1.068 ppm2=4.251 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA ) 3.8 0.8 0.8 volume=0.735 peak=2116 ppm1=1.035 ppm2=4.250 assign ( resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) ( resid 5 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 60 and name HA or resid 79 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.5 0.7 0.7 volume=0.779 peak=2117 ppm1=1.070 ppm2=4.230 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 65 and name HG2# ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.0 0.6 0.6 volume=4.686 peak=2118 ppm1=0.946 ppm2=4.265 assign ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 107 and name HG1# ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.9 0.6 0.6 volume=5.344 peak=2119 ppm1=0.873 ppm2=4.265 assign ( resid 8 and name HD1# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.1 0.6 0.6 volume=3.360 peak=2120 ppm1=0.912 ppm2=4.376 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 65 and name HG2# ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.1 0.6 0.6 volume=3.463 peak=2121 ppm1=0.947 ppm2=4.202 assign ( resid 8 and name HD1# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.2 0.6 0.6 volume=2.879 peak=2122 ppm1=0.913 ppm2=4.203 assign ( resid 8 and name HD2# or resid 9 and name HD1# or resid 92 and name HD2# or resid 97 and name HD2# ) ( resid 9 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) 3.2 0.6 0.6 volume=3.191 peak=2123 ppm1=0.843 ppm2=4.324 assign ( resid 8 and name HD2# or resid 9 and name HD1# or resid 92 and name HD2# or resid 97 and name HD2# ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.2 0.6 0.6 volume=3.159 peak=2124 ppm1=0.840 ppm2=4.310 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) ( resid 19 and name HA or resid 71 and name HA ) 3.7 0.7 0.7 volume=0.398 peak=2125 ppm1=1.568 ppm2=4.989 assign ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.8 0.8 0.8 volume=0.359 peak=2126 ppm1=4.072 ppm2=1.572 assign ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 ) ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) 3.6 0.7 0.7 volume=0.532 peak=2127 ppm1=2.672 ppm2=1.523 assign ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.7 0.7 0.7 volume=0.392 peak=2128 ppm1=2.733 ppm2=1.483 assign ( resid 29 and name HE3 or resid 64 and name HB3 or resid 95 and name HB3 ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.5 0.7 0.7 volume=0.540 peak=2129 ppm1=2.790 ppm2=1.500 assign ( resid 29 and name HE3 or resid 64 and name HB3 or resid 95 and name HB3 ) ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.7 0.7 0.7 volume=0.431 peak=2130 ppm1=2.791 ppm2=1.412 assign ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.6 0.7 0.7 volume=0.517 peak=2131 ppm1=2.879 ppm2=1.415 assign ( resid 10 and name HG3 or resid 34 and name HB3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 81 and name HB2 ) 3.5 0.7 0.7 volume=0.620 peak=2132 ppm1=2.549 ppm2=2.122 assign ( resid 10 and name HG3 or resid 34 and name HB3 ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 44 and name HB2 or resid 59 and name HB or resid 83 and name HB2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.6 0.7 0.7 volume=0.488 peak=2133 ppm1=2.545 ppm2=1.961 assign ( resid 10 and name HG3 or resid 34 and name HB3 ) ( resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 104 and name HB2 or resid 105 and name HB3 ) 3.6 0.7 0.7 volume=0.501 peak=2134 ppm1=2.553 ppm2=1.806 assign ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 98 and name HB2 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 3.6 0.7 0.7 volume=0.479 peak=2135 ppm1=2.619 ppm2=1.986 assign ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) ( resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 104 and name HB2 or resid 105 and name HB3 ) 3.5 0.7 0.7 volume=0.606 peak=2136 ppm1=2.430 ppm2=1.807 assign ( resid 13 and name HB2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 104 and name HB2 or resid 105 and name HB3 ) 3.5 0.7 0.7 volume=0.614 peak=2137 ppm1=2.329 ppm2=1.806 assign ( resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 65 and name HG2# ) ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.0 0.6 0.6 volume=2.921 peak=2138 ppm1=0.968 ppm2=1.997 assign ( resid 9 and name HG13 or resid 39 and name HB3 or resid 42 and name HG2 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 2.9 0.6 0.6 volume=1.961 peak=2139 ppm1=1.129 ppm2=1.984 assign ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 89 and name HB or resid 102 and name HB3 ) ( resid 3 and name HD3 or resid 3 and name HD2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 ) 3.6 0.7 0.7 volume=0.509 peak=2140 ppm1=1.923 ppm2=3.174 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 13 and name HE3 or resid 44 and name HD3 ) 3.6 0.7 0.7 volume=0.501 peak=2141 ppm1=1.859 ppm2=3.067 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 4 and name HB3 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.7 0.7 0.7 volume=0.444 peak=2142 ppm1=1.853 ppm2=3.010 assign ( resid 10 and name HB3 or resid 13 and name HD3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 104 and name HB2 or resid 105 and name HB3 ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 ) 3.6 0.7 0.7 volume=0.490 peak=2143 ppm1=1.813 ppm2=2.968 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) ( resid 13 and name HE3 or resid 44 and name HD3 ) 3.6 0.7 0.7 volume=0.473 peak=2144 ppm1=1.453 ppm2=3.083 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) ( resid 13 and name HE3 or resid 44 and name HD3 ) 3.4 0.7 0.7 volume=0.697 peak=2145 ppm1=1.572 ppm2=3.082 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 15 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.7 0.7 0.7 volume=0.430 peak=2146 ppm1=1.524 ppm2=3.604 assign ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) ( resid 81 and name HN ) 3.6 0.7 0.7 volume=0.509 peak=2147 ppm1=2.153 ppm2=8.442 assign ( resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 83 and name HE3 or resid 83 and name HE2 ) ( resid 23 and name HA or resid 68 and name HA ) 3.1 0.6 0.6 volume=1.129 peak=2148 ppm1=2.947 ppm2=5.184 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 24 and name HN or resid 40 and name HN or resid 42 and name HN ) 3.9 0.8 0.8 volume=0.284 peak=2149 ppm1=1.989 ppm2=9.006 assign ( resid 21 and name HD2# ) ( resid 3 and name HG2 or resid 3 and name HG3 or resid 8 and name HG or resid 15 and name HG3 or resid 25 and name HG2 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HB3 or resid 92 and name HG or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB2 ) 3.9 0.8 0.8 volume=0.924 peak=2150 ppm1=0.722 ppm2=1.619 assign ( resid 22 and name HD1# or resid 55 and name HB# or resid 59 and name HG12 ) ( resid 5 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.2 0.6 0.6 volume=1.653 peak=2151 ppm1=1.336 ppm2=4.232 assign ( resid 3 and name HN or resid 10 and name HN or resid 105 and name HN ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 45 and name HG2# or resid 92 and name HD2# or resid 97 and name HD2# ) 4.5 0.9 0.9 volume=0.407 peak=2152 ppm1=8.338 ppm2=0.823 assign ( resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 ) ( resid 23 and name HA ) 3.8 0.8 0.8 volume=0.383 peak=2153 ppm1=3.201 ppm2=5.162 assign ( resid 8 and name HB3 or resid 9 and name HG12 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) ( resid 19 and name HA ) 3.7 0.7 0.7 volume=0.410 peak=2154 ppm1=1.456 ppm2=4.989 assign ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) ( resid 21 and name HA ) 4.6 0.9 0.9 volume=0.240 peak=2155 ppm1=1.038 ppm2=5.239 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 71 and name HD# ) 4.3 0.9 0.9 volume=0.337 peak=2156 ppm1=1.994 ppm2=6.933 assign ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG2 ) ( resid 45 and name HG1# ) 4.5 0.9 0.9 volume=0.397 peak=2157 ppm1=2.370 ppm2=0.632 assign ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) ( resid 9 and name HG13 or resid 39 and name HB3 or resid 40 and name HG2 or resid 42 and name HG2 ) 3.9 0.8 0.8 volume=0.288 peak=2158 ppm1=8.889 ppm2=1.117 assign ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 45 and name HG2# or resid 92 and name HD2# or resid 97 and name HD2# ) 4.8 1.0 1.0 volume=0.278 peak=2159 ppm1=8.890 ppm2=0.819 assign ( resid 4 and name HE1 or resid 85 and name HN or resid 88 and name HN ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 ) 3.7 0.7 0.7 volume=0.396 peak=2160 ppm1=7.793 ppm2=2.741 assign ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# ) 4.3 0.9 0.9 volume=0.482 peak=2161 ppm1=2.871 ppm2=0.877 assign ( resid 10 and name HG3 or resid 34 and name HB3 ) ( resid 9 and name HG2# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 67 and name HG2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.3 0.9 0.9 volume=0.522 peak=2162 ppm1=2.553 ppm2=0.882 assign ( resid 10 and name HG3 or resid 34 and name HB3 ) ( resid 12 and name HD1# ) 4.5 0.9 0.9 volume=0.387 peak=2163 ppm1=2.555 ppm2=0.613 assign ( resid 10 and name HN or resid 14 and name HN or resid 35 and name HN or resid 48 and name HN ) ( resid 4 and name HD2 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 95 and name HD21 ) 4.0 0.8 0.8 volume=0.316 peak=2164 ppm1=8.371 ppm2=6.902 assign ( resid 24 and name HN or resid 40 and name HN or resid 42 and name HN ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.7 0.7 0.7 volume=0.406 peak=2165 ppm1=9.011 ppm2=1.987 assign ( resid 24 and name HA or resid 52 and name HA2 or resid 80 and name HA2 or resid 87 and name HD2 ) ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 52 and name HA1 or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB2 ) 3.6 0.7 0.7 volume=0.475 peak=2166 ppm1=4.111 ppm2=3.853 assign ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 3.7 0.7 0.7 volume=0.804 peak=2167 ppm1=1.984 ppm2=0.790 assign ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 39 and name HB2 or resid 59 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) ( resid 9 and name HD1# or resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 3.7 0.7 0.7 volume=0.863 peak=2168 ppm1=1.968 ppm2=0.794 assign ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) ( resid 18 and name HG3 or resid 24 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG2 ) 3.9 0.8 0.8 volume=0.288 peak=2169 ppm1=4.128 ppm2=2.387 assign ( resid 11 and name HB3 or resid 36 and name HB2 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 ) ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.4 0.7 0.7 volume=0.655 peak=2170 ppm1=2.727 ppm2=2.415 assign ( resid 9 and name HG13 or resid 39 and name HB3 or resid 42 and name HG2 ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 3.7 0.7 0.7 volume=0.404 peak=2171 ppm1=1.126 ppm2=2.853 assign ( resid 86 and name HN ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 103 and name HB2 or resid 106 and name HB2 ) 3.9 0.8 0.8 volume=0.286 peak=2172 ppm1=8.832 ppm2=1.857 assign ( resid 43 and name HG1# ) ( resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 4.8 1.0 1.0 volume=0.274 peak=2173 ppm1=0.452 ppm2=2.154 assign ( resid 45 and name HG2# ) ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 4.3 0.9 0.9 volume=0.510 peak=2174 ppm1=0.795 ppm2=1.992 assign ( resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 63 and name HD1# or resid 65 and name HG2# or resid 79 and name HD1# or resid 89 and name HG2# ) 4.3 0.9 0.9 volume=0.388 peak=2175 ppm1=2.681 ppm2=0.946 assign ( resid 7 and name HB2 or resid 58 and name HB2 or resid 77 and name HB2 or resid 77 and name HB3 or resid 98 and name HB2 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 ) 3.7 0.7 0.7 volume=0.521 peak=2176 ppm1=2.645 ppm2=1.234 assign ( resid 11 and name HB3 or resid 38 and name HD3 or resid 49 and name HB2 or resid 86 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 89 and name HB or resid 102 and name HB3 ) 3.7 0.7 0.7 volume=0.396 peak=2177 ppm1=2.757 ppm2=1.916 assign ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 89 and name HB or resid 102 and name HB3 ) 3.6 0.7 0.7 volume=0.456 peak=2178 ppm1=2.877 ppm2=1.923 assign ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.7 0.7 0.7 volume=0.426 peak=2179 ppm1=1.880 ppm2=2.873 assign ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) ( resid 8 and name HG or resid 15 and name HG3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HB3 or resid 92 and name HB2 or resid 97 and name HG or resid 97 and name HB2 or resid 99 and name HB3 ) 4.0 0.8 0.8 volume=0.282 peak=2180 ppm1=8.550 ppm2=1.629 assign ( resid 68 and name HN ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 4.1 0.8 0.8 volume=0.302 peak=2181 ppm1=8.166 ppm2=1.086 assign ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) ( resid 22 and name HD1# or resid 40 and name HB3 or resid 87 and name HG3 or resid 89 and name HG13 ) 3.6 0.7 0.7 volume=0.607 peak=2182 ppm1=2.957 ppm2=1.379 assign ( resid 4 and name HB2 or resid 6 and name HB3 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.3 0.7 0.7 volume=0.781 peak=2183 ppm1=2.961 ppm2=1.454 assign ( resid 13 and name HE3 or resid 44 and name HD3 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.5 0.7 0.7 volume=0.582 peak=2184 ppm1=3.079 ppm2=1.455 assign ( resid 3 and name HG2 or resid 3 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 31 and name HG3 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) ( resid 27 and name HN or resid 57 and name HD21 or resid 83 and name HN ) 3.8 0.8 0.8 volume=0.330 peak=2185 ppm1=1.597 ppm2=7.195 assign ( resid 13 and name HG3 or resid 29 and name HB2 or resid 32 and name HG13 or resid 43 and name HB or resid 44 and name HG2 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 ) ( resid 27 and name HN or resid 57 and name HD21 or resid 83 and name HN ) 4.0 0.8 0.8 volume=0.261 peak=2186 ppm1=1.548 ppm2=7.197 assign ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 27 and name HN or resid 57 and name HD21 or resid 83 and name HN ) 4.0 0.8 0.8 volume=0.275 peak=2187 ppm1=1.501 ppm2=7.187 assign ( resid 19 and name HB ) ( resid 19 and name HG2# or resid 40 and name HG3 or resid 42 and name HG2 or resid 83 and name HG2 ) 3.2 0.6 0.6 volume=1.236 peak=1 ppm1=4.195 ppm2=1.179 assign ( resid 19 and name HB ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.7 0.9 0.9 volume=0.291 peak=2 ppm1=4.185 ppm2=0.630 assign ( resid 19 and name HB ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 4.0 0.8 0.8 volume=0.254 peak=3 ppm1=4.190 ppm2=1.510 assign ( resid 19 and name HB ) ( resid 19 and name HA or resid 71 and name HA ) 3.4 0.7 0.7 volume=0.730 peak=4 ppm1=4.189 ppm2=5.007 assign ( resid 19 and name HB ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.4 0.7 0.7 volume=0.698 peak=5 ppm1=4.189 ppm2=8.113 assign ( resid 19 and name HB ) ( resid 20 and name HN or resid 30 and name HN or resid 101 and name HN ) 3.5 0.7 0.7 volume=0.576 peak=6 ppm1=4.181 ppm2=7.991 assign ( resid 76 and name HA ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.1 0.8 0.8 volume=0.620 peak=7 ppm1=3.879 ppm2=0.936 assign ( resid 76 and name HA ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.5 0.7 0.7 volume=0.581 peak=8 ppm1=3.875 ppm2=1.775 assign ( resid 76 and name HA ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.8 0.8 0.8 volume=0.358 peak=9 ppm1=3.874 ppm2=1.687 assign ( resid 76 and name HA ) ( resid 13 and name HG3 or resid 21 and name HG or resid 21 and name HB2 or resid 22 and name HB3 or resid 29 and name HD2 or resid 32 and name HG13 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HB2 ) 3.7 0.7 0.7 volume=0.387 peak=10 ppm1=3.870 ppm2=1.545 assign ( resid 76 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 4.0 0.8 0.8 volume=0.268 peak=11 ppm1=3.867 ppm2=2.137 assign ( resid 76 and name HA ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 44 and name HD2 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.7 0.7 0.7 volume=0.404 peak=12 ppm1=3.868 ppm2=3.164 assign ( resid 76 and name HA ) ( resid 76 and name HN ) 3.7 0.7 0.7 volume=0.394 peak=13 ppm1=3.872 ppm2=9.436 assign ( resid 35 and name HB2 ) ( resid 36 and name HN ) 3.9 0.8 0.8 volume=0.325 peak=14 ppm1=4.303 ppm2=8.707 assign ( resid 35 and name HB2 ) ( resid 10 and name HN or resid 14 and name HN or resid 35 and name HN or resid 48 and name HN or resid 106 and name HN ) 3.9 0.8 0.8 volume=0.319 peak=15 ppm1=4.293 ppm2=8.366 assign ( resid 35 and name HB3 ) ( resid 10 and name HN or resid 14 and name HN or resid 35 and name HN or resid 48 and name HN or resid 106 and name HN ) 3.4 0.7 0.7 volume=0.652 peak=16 ppm1=4.059 ppm2=8.366 assign ( resid 35 and name HB2 ) ( resid 20 and name HN or resid 30 and name HN or resid 37 and name HN or resid 77 and name HN or resid 101 and name HN ) 4.0 0.8 0.8 volume=0.280 peak=17 ppm1=4.305 ppm2=8.026 assign ( resid 35 and name HB3 ) ( resid 20 and name HN or resid 30 and name HN or resid 37 and name HN or resid 77 and name HN or resid 101 and name HN ) 4.0 0.8 0.8 volume=0.274 peak=18 ppm1=4.057 ppm2=8.024 assign ( resid 35 and name HB3 ) ( resid 36 and name HN ) 4.1 0.8 0.8 volume=0.238 peak=19 ppm1=4.061 ppm2=8.708 assign ( resid 49 and name HA ) ( resid 49 and name HN ) 3.7 0.7 0.7 volume=0.407 peak=20 ppm1=3.950 ppm2=9.179 assign ( resid 60 and name HA ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.7 0.7 0.7 volume=0.403 peak=21 ppm1=4.268 ppm2=8.888 assign ( resid 35 and name HB3 ) ( resid 7 and name HA or resid 35 and name HA or resid 62 and name HA ) 3.7 0.7 0.7 volume=0.397 peak=22 ppm1=4.069 ppm2=4.641 assign ( resid 35 and name HB2 ) ( resid 7 and name HA or resid 8 and name HA or resid 35 and name HA ) 3.5 0.7 0.7 volume=0.593 peak=23 ppm1=4.309 ppm2=4.627 assign ( resid 35 and name HB3 ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.0 0.6 0.6 volume=1.494 peak=24 ppm1=4.063 ppm2=4.313 assign ( resid 35 and name HB2 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.0 0.6 0.6 volume=1.464 peak=25 ppm1=4.312 ppm2=4.075 assign ( resid 35 and name HB2 ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 4.0 0.8 0.8 volume=0.331 peak=26 ppm1=4.313 ppm2=1.096 assign ( resid 35 and name HB3 ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# or resid 65 and name HG1# ) 4.2 0.8 0.8 volume=0.274 peak=27 ppm1=4.074 ppm2=1.082 assign ( resid 60 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.7 0.7 0.7 volume=1.266 peak=28 ppm1=4.269 ppm2=0.904 assign ( resid 60 and name HA ) ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 4.0 0.8 0.8 volume=0.507 peak=29 ppm1=4.265 ppm2=0.790 assign ( resid 31 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.6 0.7 0.7 volume=0.477 peak=30 ppm1=4.286 ppm2=1.586 assign ( resid 60 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.8 0.8 0.8 volume=0.365 peak=31 ppm1=4.263 ppm2=1.566 assign ( resid 31 and name HA ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 5 and name HB2 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) 3.5 0.7 0.7 volume=0.542 peak=32 ppm1=4.284 ppm2=1.893 assign ( resid 60 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.9 0.8 0.8 volume=0.319 peak=33 ppm1=4.255 ppm2=2.132 assign ( resid 31 and name HA or resid 39 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.4 0.7 0.7 volume=0.759 peak=34 ppm1=4.291 ppm2=2.139 assign ( resid 31 and name HA ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 4.1 0.8 0.8 volume=0.446 peak=35 ppm1=4.289 ppm2=1.029 assign ( resid 60 and name HA ) ( resid 22 and name HD2# or resid 29 and name HG2 or resid 29 and name HB3 or resid 65 and name HG1# or resid 65 and name HG2# or resid 70 and name HB# ) 4.1 0.8 0.8 volume=0.380 peak=36 ppm1=4.260 ppm2=1.010 assign ( resid 31 and name HA ) ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 3.6 0.7 0.7 volume=0.888 peak=37 ppm1=4.292 ppm2=0.791 assign ( resid 49 and name HA ) ( resid 11 and name HB3 or resid 29 and name HE3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 64 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 3.8 0.8 0.8 volume=0.384 peak=38 ppm1=3.942 ppm2=2.767 assign ( resid 49 and name HA ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.3 0.7 0.7 volume=0.770 peak=39 ppm1=3.957 ppm2=3.020 assign ( resid 39 and name HA ) ( resid 24 and name HN or resid 40 and name HN ) 3.4 0.7 0.7 volume=0.756 peak=40 ppm1=4.317 ppm2=9.012 assign ( resid 59 and name HA ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.6 0.7 0.7 volume=0.455 peak=41 ppm1=4.342 ppm2=8.883 assign ( resid 59 and name HA ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 3.9 0.8 0.8 volume=0.317 peak=42 ppm1=4.321 ppm2=8.868 assign ( resid 15 and name HA ) ( resid 47 and name HN or resid 86 and name HN ) 3.8 0.8 0.8 volume=0.363 peak=43 ppm1=3.693 ppm2=8.812 assign ( resid 1 and name HB2 or resid 11 and name HA or resid 94 and name HB2 ) ( resid 11 and name HN or resid 89 and name HN ) 3.6 0.7 0.7 volume=0.479 peak=44 ppm1=3.840 ppm2=8.755 assign ( resid 37 and name HA or resid 65 and name HA ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN or resid 65 and name HN ) 4.0 0.8 0.8 volume=0.270 peak=45 ppm1=4.003 ppm2=8.564 assign ( resid 37 and name HA or resid 65 and name HA ) ( resid 25 and name HN or resid 34 and name HN or resid 38 and name HN or resid 63 and name HN or resid 67 and name HN or resid 81 and name HN ) 3.0 0.6 0.6 volume=1.572 peak=46 ppm1=4.017 ppm2=8.445 assign ( resid 15 and name HA ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.4 0.7 0.7 volume=0.695 peak=47 ppm1=3.711 ppm2=8.253 assign ( resid 37 and name HA or resid 65 and name HA ) ( resid 30 and name HN or resid 37 and name HN or resid 77 and name HN ) 3.8 0.8 0.8 volume=0.378 peak=48 ppm1=4.023 ppm2=8.037 assign ( resid 50 and name HB3 ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) 3.6 0.7 0.7 volume=0.480 peak=49 ppm1=3.893 ppm2=7.856 assign ( resid 50 and name HB2 ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) 3.9 0.8 0.8 volume=0.320 peak=50 ppm1=3.650 ppm2=7.851 assign ( resid 11 and name HA ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 88 and name HN or resid 100 and name HE1 ) 4.0 0.8 0.8 volume=0.275 peak=51 ppm1=3.859 ppm2=7.837 assign ( resid 50 and name HB3 ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 101 and name HE# or resid 101 and name HZ ) 4.0 0.8 0.8 volume=0.344 peak=52 ppm1=3.886 ppm2=7.337 assign ( resid 50 and name HB2 ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 101 and name HE# ) 4.1 0.8 0.8 volume=0.286 peak=53 ppm1=3.635 ppm2=7.360 assign ( resid 107 and name HA ) ( resid 68 and name HD21 or resid 80 and name HN or resid 85 and name HN or resid 107 and name HN ) 3.6 0.7 0.7 volume=0.455 peak=54 ppm1=4.057 ppm2=7.758 assign ( resid 87 and name HA ) ( resid 48 and name HD21 or resid 85 and name HN or resid 88 and name HN ) 3.9 0.8 0.8 volume=0.301 peak=55 ppm1=5.104 ppm2=7.804 assign ( resid 39 and name HA ) ( resid 41 and name HA or resid 73 and name HA or resid 87 and name HA ) 3.6 0.7 0.7 volume=0.494 peak=56 ppm1=4.308 ppm2=5.108 assign ( resid 15 and name HA ) ( resid 10 and name HA or resid 19 and name HA or resid 36 and name HA or resid 46 and name HA ) 3.5 0.7 0.7 volume=0.583 peak=57 ppm1=3.703 ppm2=4.965 assign ( resid 50 and name HB2 ) ( resid 3 and name HA or resid 5 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 32 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 102 and name HA or resid 103 and name HA ) 3.2 0.6 0.6 volume=0.930 peak=58 ppm1=3.631 ppm2=4.248 assign ( resid 2 and name HB2 or resid 94 and name HB3 ) ( resid 2 and name HA or resid 4 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.1 0.6 0.6 volume=1.331 peak=59 ppm1=3.931 ppm2=4.552 assign ( resid 2 and name HB3 or resid 94 and name HB2 ) ( resid 2 and name HA or resid 4 and name HA or resid 16 and name HA2 or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.0 0.6 0.6 volume=1.335 peak=60 ppm1=3.868 ppm2=4.545 assign ( resid 1 and name HB3 or resid 2 and name HB2 or resid 94 and name HB3 ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 2.7 0.5 0.5 volume=2.551 peak=61 ppm1=3.904 ppm2=4.468 assign ( resid 1 and name HB2 or resid 2 and name HB3 or resid 94 and name HB2 ) ( resid 28 and name HA1 or resid 63 and name HA or resid 67 and name HA or resid 75 and name HA or resid 84 and name HA or resid 90 and name HA or resid 94 and name HA ) 2.8 0.6 0.6 volume=2.042 peak=62 ppm1=3.847 ppm2=4.436 assign ( resid 50 and name HB3 ) ( resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 2.9 0.6 0.6 volume=1.724 peak=63 ppm1=3.894 ppm2=3.637 assign ( resid 50 and name HB2 ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 1 and name HB3 or resid 2 and name HB3 or resid 2 and name HB2 or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB3 ) 2.9 0.6 0.6 volume=1.679 peak=64 ppm1=3.632 ppm2=3.892 assign ( resid 50 and name HB2 ) ( resid 10 and name HG2 or resid 18 and name HG2 or resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 45 and name HB or resid 46 and name HB3 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.7 0.7 0.7 volume=0.412 peak=65 ppm1=3.636 ppm2=2.398 assign ( resid 50 and name HB3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 60 and name HB or resid 78 and name HB3 or resid 107 and name HB ) 3.7 0.7 0.7 volume=0.419 peak=66 ppm1=3.895 ppm2=2.096 assign ( resid 50 and name HB2 ) ( resid 12 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.7 0.7 0.7 volume=0.407 peak=67 ppm1=3.630 ppm2=2.016 assign ( resid 15 and name HA ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 56 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.6 0.7 0.7 volume=0.482 peak=68 ppm1=3.705 ppm2=1.988 assign ( resid 37 and name HA or resid 65 and name HA ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.4 0.7 0.7 volume=0.707 peak=69 ppm1=3.998 ppm2=2.005 assign ( resid 15 and name HA ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 104 and name HB2 or resid 106 and name HB2 ) 3.6 0.7 0.7 volume=0.472 peak=70 ppm1=3.707 ppm2=1.856 assign ( resid 15 and name HA ) ( resid 3 and name HG2 or resid 8 and name HG or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 ) 3.8 0.8 0.8 volume=0.332 peak=71 ppm1=3.699 ppm2=1.623 assign ( resid 1 and name HB2 or resid 2 and name HB3 or resid 94 and name HB2 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.8 0.8 0.8 volume=0.370 peak=72 ppm1=3.852 ppm2=1.587 assign ( resid 11 and name HA or resid 94 and name HB2 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 4.0 0.8 0.8 volume=0.271 peak=73 ppm1=3.831 ppm2=1.485 assign ( resid 37 and name HA or resid 65 and name HA ) ( resid 8 and name HG or resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 4.0 0.8 0.8 volume=0.264 peak=74 ppm1=4.026 ppm2=1.681 assign ( resid 37 and name HA or resid 65 and name HA ) ( resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB2 or resid 102 and name HG2 or resid 102 and name HG3 ) 3.9 0.8 0.8 volume=0.320 peak=75 ppm1=4.025 ppm2=2.181 assign ( resid 50 and name HB3 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.9 0.8 0.8 volume=0.324 peak=76 ppm1=3.889 ppm2=2.428 assign ( resid 50 and name HB3 ) ( resid 10 and name HG2 or resid 18 and name HG2 or resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 45 and name HB or resid 46 and name HB3 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.8 0.8 0.8 volume=0.359 peak=77 ppm1=3.914 ppm2=2.398 assign ( resid 11 and name HA ) ( resid 13 and name HB2 or resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG3 or resid 75 and name HG2 ) 4.0 0.8 0.8 volume=0.277 peak=78 ppm1=3.853 ppm2=2.368 assign ( resid 15 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 4.0 0.8 0.8 volume=0.285 peak=79 ppm1=3.707 ppm2=2.160 assign ( resid 50 and name HB2 ) ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.9 0.8 0.8 volume=0.314 peak=80 ppm1=3.614 ppm2=2.417 assign ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 94 and name HB2 ) ( resid 11 and name HB2 or resid 20 and name HA1 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 64 and name HB2 ) 3.8 0.8 0.8 volume=0.372 peak=81 ppm1=3.841 ppm2=2.903 assign ( resid 87 and name HA ) ( resid 7 and name HB3 or resid 10 and name HG3 or resid 23 and name HB2 or resid 34 and name HB3 or resid 40 and name HE2 or resid 72 and name HB2 ) 3.9 0.8 0.8 volume=0.315 peak=82 ppm1=5.096 ppm2=2.581 assign ( resid 87 and name HA ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.8 0.8 0.8 volume=0.376 peak=83 ppm1=5.104 ppm2=2.439 assign ( resid 87 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.1 0.6 0.6 volume=1.215 peak=84 ppm1=5.094 ppm2=2.158 assign ( resid 87 and name HA ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.6 0.7 0.7 volume=0.534 peak=85 ppm1=5.093 ppm2=1.974 assign ( resid 87 and name HA ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 104 and name HB2 or resid 106 and name HB2 ) 3.7 0.7 0.7 volume=0.398 peak=86 ppm1=5.105 ppm2=1.853 assign ( resid 87 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.5 0.9 0.9 volume=0.387 peak=87 ppm1=5.101 ppm2=0.909 assign ( resid 87 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.5 0.9 0.9 volume=0.400 peak=88 ppm1=5.081 ppm2=0.912 assign ( resid 87 and name HA ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.7 0.9 0.9 volume=0.310 peak=89 ppm1=5.109 ppm2=0.631 assign ( resid 39 and name HA ) ( resid 9 and name HG13 or resid 19 and name HG2# or resid 39 and name HB3 or resid 42 and name HG2 ) 3.7 0.7 0.7 volume=0.510 peak=90 ppm1=4.310 ppm2=1.151 assign ( resid 59 and name HA ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# or resid 65 and name HG1# ) 3.4 0.7 0.7 volume=0.988 peak=91 ppm1=4.343 ppm2=1.083 assign ( resid 37 and name HA or resid 65 and name HA ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# or resid 65 and name HG1# ) 3.2 0.6 0.6 volume=1.447 peak=92 ppm1=4.010 ppm2=1.082 assign ( resid 65 and name HA ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 65 and name HG2# or resid 70 and name HB# ) 3.7 0.7 0.7 volume=0.888 peak=93 ppm1=3.996 ppm2=0.980 assign ( resid 1 and name HB2 or resid 1 and name HB3 or resid 2 and name HB3 or resid 2 and name HB2 or resid 94 and name HB3 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.9 0.8 0.8 volume=0.851 peak=94 ppm1=3.893 ppm2=0.889 assign ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 94 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 97 and name HD2# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.6 0.7 0.7 volume=1.457 peak=95 ppm1=3.843 ppm2=0.884 assign ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 94 and name HB2 ) ( resid 21 and name HD2# or resid 42 and name HG3 or resid 60 and name HD1# or resid 90 and name HD1# ) 4.1 0.8 0.8 volume=0.452 peak=96 ppm1=3.847 ppm2=0.752 assign ( resid 50 and name HB3 ) ( resid 12 and name HD1# or resid 45 and name HG1# ) 4.3 0.9 0.9 volume=0.538 peak=97 ppm1=3.896 ppm2=0.648 assign ( resid 50 and name HB2 ) ( resid 12 and name HD1# or resid 45 and name HG1# ) 4.0 0.8 0.8 volume=0.753 peak=98 ppm1=3.641 ppm2=0.652 assign ( resid 59 and name HA ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 59 and name HD1# ) 4.6 0.9 0.9 volume=0.336 peak=99 ppm1=4.333 ppm2=0.593 assign ( resid 37 and name HA or resid 65 and name HA ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 or resid 83 and name HG3 ) 3.4 0.7 0.7 volume=0.773 peak=100 ppm1=4.027 ppm2=1.263 assign ( resid 87 and name HA ) ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.9 0.8 0.8 volume=0.302 peak=101 ppm1=5.108 ppm2=1.409 assign ( resid 32 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.9 0.8 0.8 volume=0.303 peak=102 ppm1=4.214 ppm2=1.586 assign ( resid 43 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 22 and name HB3 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) 3.7 0.7 0.7 volume=0.410 peak=103 ppm1=3.626 ppm2=1.555 assign ( resid 43 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) 3.7 0.7 0.7 volume=0.426 peak=104 ppm1=3.601 ppm2=1.558 assign ( resid 74 and name HA ) ( resid 22 and name HD1# or resid 29 and name HD3 or resid 40 and name HB3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) 3.9 0.8 0.8 volume=0.342 peak=105 ppm1=3.804 ppm2=1.381 assign ( resid 74 and name HA ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 40 and name HG3 or resid 59 and name HG13 or resid 83 and name HG2 ) 3.7 0.7 0.7 volume=0.446 peak=106 ppm1=3.808 ppm2=1.231 assign ( resid 74 and name HA ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 3.7 0.7 0.7 volume=0.481 peak=107 ppm1=3.798 ppm2=1.104 assign ( resid 17 and name HA ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG1# ) 3.1 0.6 0.6 volume=3.085 peak=108 ppm1=4.262 ppm2=0.959 assign ( resid 32 and name HA ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG2# ) 3.5 0.7 0.7 volume=1.588 peak=109 ppm1=4.212 ppm2=0.940 assign ( resid 67 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.2 0.6 0.6 volume=2.958 peak=110 ppm1=4.403 ppm2=0.921 assign ( resid 67 and name HA ) ( resid 21 and name HD2# or resid 90 and name HD1# ) 4.3 0.9 0.9 volume=0.481 peak=111 ppm1=4.413 ppm2=0.730 assign ( resid 67 and name HA ) ( resid 21 and name HD2# or resid 90 and name HD1# ) 4.6 0.9 0.9 volume=0.352 peak=112 ppm1=4.384 ppm2=0.729 assign ( resid 67 and name HA ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.7 0.9 0.9 volume=0.305 peak=113 ppm1=4.395 ppm2=0.602 assign ( resid 67 and name HA ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 59 and name HD1# ) 4.8 1.0 1.0 volume=0.278 peak=114 ppm1=4.423 ppm2=0.585 assign ( resid 43 and name HA ) ( resid 43 and name HG1# ) 4.1 0.8 0.8 volume=0.636 peak=115 ppm1=3.607 ppm2=0.467 assign ( resid 43 and name HA ) ( resid 43 and name HG2# ) 4.1 0.8 0.8 volume=0.675 peak=116 ppm1=3.612 ppm2=-0.109 assign ( resid 67 and name HA ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# or resid 65 and name HG1# ) 4.2 0.8 0.8 volume=0.256 peak=117 ppm1=4.405 ppm2=1.082 assign ( resid 17 and name HA or resid 77 and name HA ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.6 0.7 0.7 volume=0.530 peak=118 ppm1=4.267 ppm2=3.156 assign ( resid 32 and name HA ) ( resid 3 and name HD3 or resid 32 and name HB or resid 44 and name HD3 or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.8 0.8 0.8 volume=0.337 peak=119 ppm1=4.221 ppm2=3.130 assign ( resid 77 and name HA ) ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 71 and name HB3 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 3.7 0.7 0.7 volume=0.413 peak=120 ppm1=4.279 ppm2=2.663 assign ( resid 17 and name HA or resid 77 and name HA ) ( resid 17 and name HB or resid 54 and name HB2 or resid 75 and name HB3 or resid 75 and name HB2 or resid 102 and name HG2 ) 3.0 0.6 0.6 volume=1.403 peak=121 ppm1=4.263 ppm2=2.256 assign ( resid 67 and name HA ) ( resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 102 and name HG3 ) 3.0 0.6 0.6 volume=1.583 peak=122 ppm1=4.406 ppm2=2.174 assign ( resid 32 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.6 0.7 0.7 volume=0.496 peak=123 ppm1=4.205 ppm2=2.141 assign ( resid 39 and name HA ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 3.4 0.7 0.7 volume=0.639 peak=124 ppm1=4.307 ppm2=1.996 assign ( resid 59 and name HA ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.4 0.7 0.7 volume=0.754 peak=125 ppm1=4.347 ppm2=1.970 assign ( resid 39 and name HA ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.8 0.8 0.8 volume=0.366 peak=126 ppm1=4.314 ppm2=1.768 assign ( resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 94 and name HB2 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 91 and name HB3 or resid 95 and name HB3 ) 3.6 0.7 0.7 volume=0.528 peak=127 ppm1=3.856 ppm2=2.747 assign ( resid 74 and name HA ) ( resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.8 0.8 0.8 volume=0.370 peak=128 ppm1=3.821 ppm2=3.448 assign ( resid 74 and name HA ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.8 0.8 0.8 volume=0.378 peak=129 ppm1=3.795 ppm2=3.353 assign ( resid 43 and name HA ) ( resid 4 and name HD2 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 95 and name HD21 ) 3.7 0.7 0.7 volume=0.496 peak=130 ppm1=3.598 ppm2=6.897 assign ( resid 43 and name HA ) ( resid 44 and name HN or resid 79 and name HN or resid 84 and name HN or resid 88 and name HE or resid 91 and name HD21 or resid 95 and name HD22 ) 3.5 0.7 0.7 volume=0.614 peak=131 ppm1=3.623 ppm2=7.603 assign ( resid 43 and name HA ) ( resid 44 and name HN or resid 79 and name HN or resid 84 and name HN or resid 88 and name HE or resid 91 and name HD21 or resid 95 and name HD22 ) 3.3 0.7 0.7 volume=0.808 peak=132 ppm1=3.604 ppm2=7.600 assign ( resid 43 and name HA ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.9 0.8 0.8 volume=0.297 peak=133 ppm1=3.606 ppm2=8.135 assign ( resid 74 and name HA ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 4.1 0.8 0.8 volume=0.238 peak=134 ppm1=3.807 ppm2=8.125 assign ( resid 77 and name HA ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN or resid 107 and name HN ) 3.9 0.8 0.8 volume=0.288 peak=135 ppm1=4.260 ppm2=7.728 assign ( resid 17 and name HA or resid 77 and name HA ) ( resid 30 and name HN or resid 37 and name HN or resid 77 and name HN ) 3.9 0.8 0.8 volume=0.300 peak=136 ppm1=4.266 ppm2=8.060 assign ( resid 17 and name HA or resid 77 and name HA ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.5 0.7 0.7 volume=0.619 peak=137 ppm1=4.268 ppm2=8.213 assign ( resid 67 and name HA ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.6 0.7 0.7 volume=0.532 peak=138 ppm1=4.399 ppm2=8.484 assign ( resid 67 and name HA ) ( resid 6 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 75 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.6 0.7 0.7 volume=0.533 peak=139 ppm1=4.408 ppm2=8.178 assign ( resid 32 and name HA ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 3.8 0.8 0.8 volume=0.357 peak=140 ppm1=4.207 ppm2=8.622 assign ( resid 17 and name HA or resid 77 and name HA ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 3.9 0.8 0.8 volume=0.315 peak=141 ppm1=4.260 ppm2=8.604 assign ( resid 37 and name HA or resid 65 and name HA ) ( resid 66 and name HN or resid 74 and name HN ) 3.0 0.6 0.6 volume=1.476 peak=142 ppm1=4.001 ppm2=9.073 assign ( resid 77 and name HA ) ( resid 82 and name HN ) 3.9 0.8 0.8 volume=0.314 peak=143 ppm1=4.274 ppm2=9.254 assign ( resid 74 and name HA ) ( resid 40 and name HN or resid 66 and name HN or resid 74 and name HN ) 4.0 0.8 0.8 volume=0.257 peak=144 ppm1=3.812 ppm2=9.047 assign ( resid 9 and name HA ) ( resid 7 and name HN or resid 10 and name HN or resid 26 and name HN or resid 35 and name HN or resid 105 and name HN ) 2.8 0.6 0.6 volume=2.351 peak=145 ppm1=4.319 ppm2=8.324 assign ( resid 26 and name HA ) ( resid 7 and name HN or resid 10 and name HN or resid 16 and name HN or resid 26 and name HN or resid 100 and name HN or resid 105 and name HN ) 3.6 0.7 0.7 volume=0.512 peak=146 ppm1=4.058 ppm2=8.297 assign ( resid 19 and name HA ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.5 0.7 0.7 volume=0.631 peak=147 ppm1=4.991 ppm2=8.128 assign ( resid 19 and name HA ) ( resid 8 and name HN or resid 20 and name HN or resid 64 and name HD21 or resid 101 and name HN ) 3.3 0.7 0.7 volume=0.796 peak=148 ppm1=4.996 ppm2=7.977 assign ( resid 26 and name HA ) ( resid 27 and name HN or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 4.0 0.8 0.8 volume=0.285 peak=149 ppm1=4.080 ppm2=7.193 assign ( resid 26 and name HA ) ( resid 27 and name HN or resid 36 and name HD# or resid 57 and name HD21 or resid 83 and name HN ) 4.0 0.8 0.8 volume=0.287 peak=150 ppm1=4.051 ppm2=7.180 assign ( resid 19 and name HA ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 58 and name HA or resid 81 and name HA or resid 102 and name HA ) 3.4 0.7 0.7 volume=0.668 peak=151 ppm1=5.002 ppm2=4.198 assign ( resid 19 and name HA ) ( resid 23 and name HA or resid 44 and name HA ) 3.4 0.7 0.7 volume=0.640 peak=152 ppm1=4.998 ppm2=5.143 assign ( resid 26 and name HA ) ( resid 6 and name HB2 or resid 26 and name HB2 or resid 33 and name HB2 or resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 or resid 82 and name HA ) 3.5 0.7 0.7 volume=0.567 peak=153 ppm1=4.075 ppm2=3.277 assign ( resid 26 and name HA ) ( resid 26 and name HB3 or resid 29 and name HE3 or resid 64 and name HB3 or resid 71 and name HB2 or resid 91 and name HB2 or resid 95 and name HB2 or resid 95 and name HB3 ) 3.4 0.7 0.7 volume=0.649 peak=154 ppm1=4.065 ppm2=2.814 assign ( resid 9 and name HA ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.3 0.7 0.7 volume=0.859 peak=155 ppm1=4.321 ppm2=1.787 assign ( resid 9 and name HA ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.9 0.8 0.8 volume=0.288 peak=156 ppm1=4.326 ppm2=1.966 assign ( resid 19 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 4.0 0.8 0.8 volume=0.279 peak=157 ppm1=4.987 ppm2=1.594 assign ( resid 19 and name HA ) ( resid 19 and name HG2# or resid 40 and name HG3 or resid 42 and name HG2 or resid 83 and name HG2 ) 3.4 0.7 0.7 volume=0.879 peak=158 ppm1=4.992 ppm2=1.178 assign ( resid 19 and name HA ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 4.1 0.8 0.8 volume=0.233 peak=159 ppm1=4.992 ppm2=1.456 assign ( resid 26 and name HA ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 44 and name HG3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.8 0.8 0.8 volume=0.359 peak=160 ppm1=4.067 ppm2=1.435 assign ( resid 26 and name HA ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 4.4 0.9 0.9 volume=0.313 peak=161 ppm1=4.058 ppm2=1.030 assign ( resid 9 and name HA ) ( resid 9 and name HG13 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HG2 or resid 42 and name HG2 ) 3.6 0.7 0.7 volume=0.533 peak=162 ppm1=4.322 ppm2=1.129 assign ( resid 9 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD2# or resid 67 and name HG2# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 97 and name HD2# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.4 0.7 0.7 volume=2.043 peak=163 ppm1=4.316 ppm2=0.879 assign ( resid 89 and name HA ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.8 0.8 0.8 volume=0.361 peak=164 ppm1=4.371 ppm2=1.481 assign ( resid 9 and name HA ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.5 0.7 0.7 volume=0.569 peak=165 ppm1=4.321 ppm2=1.478 assign ( resid 50 and name HA ) ( resid 12 and name HD1# or resid 45 and name HG1# ) 4.3 0.9 0.9 volume=0.499 peak=166 ppm1=4.255 ppm2=0.650 assign ( resid 89 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.5 0.7 0.7 volume=1.638 peak=167 ppm1=4.372 ppm2=0.915 assign ( resid 58 and name HA ) ( resid 21 and name HB3 or resid 22 and name HD2# or resid 29 and name HB3 or resid 40 and name HD3 or resid 59 and name HG2# or resid 65 and name HG1# or resid 70 and name HB# ) 4.0 0.8 0.8 volume=0.430 peak=168 ppm1=4.236 ppm2=1.052 assign ( resid 24 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.1 0.8 0.8 volume=0.673 peak=169 ppm1=4.120 ppm2=0.916 assign ( resid 47 and name HA or resid 53 and name HA or resid 88 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.5 0.9 0.9 volume=0.399 peak=170 ppm1=4.056 ppm2=0.913 assign ( resid 88 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.7 0.9 0.9 volume=0.318 peak=171 ppm1=4.034 ppm2=0.900 assign ( resid 78 and name HA ) ( resid 3 and name HG2 or resid 8 and name HG or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 ) 3.2 0.6 0.6 volume=0.919 peak=172 ppm1=3.848 ppm2=1.622 assign ( resid 78 and name HA ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.5 0.7 0.7 volume=0.572 peak=173 ppm1=3.853 ppm2=1.476 assign ( resid 50 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 60 and name HB or resid 78 and name HB3 or resid 87 and name HB3 or resid 107 and name HB ) 3.9 0.8 0.8 volume=0.337 peak=174 ppm1=4.239 ppm2=2.103 assign ( resid 24 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 31 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 60 and name HB or resid 78 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 107 and name HB ) 2.8 0.6 0.6 volume=2.138 peak=175 ppm1=4.120 ppm2=2.110 assign ( resid 47 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 60 and name HB or resid 78 and name HB3 or resid 107 and name HB ) 2.9 0.6 0.6 volume=1.723 peak=176 ppm1=4.089 ppm2=2.092 assign ( resid 47 and name HA or resid 88 and name HA ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 2.9 0.6 0.6 volume=2.004 peak=177 ppm1=4.069 ppm2=2.079 assign ( resid 47 and name HA or resid 88 and name HA ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.4 0.7 0.7 volume=0.724 peak=178 ppm1=4.066 ppm2=1.967 assign ( resid 78 and name HA ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 3.6 0.7 0.7 volume=0.462 peak=179 ppm1=3.848 ppm2=2.076 assign ( resid 24 and name HA ) ( resid 10 and name HG3 or resid 27 and name HB3 or resid 33 and name HB3 or resid 34 and name HB3 or resid 57 and name HB3 ) 3.5 0.7 0.7 volume=0.609 peak=180 ppm1=4.120 ppm2=2.516 assign ( resid 75 and name HA ) ( resid 10 and name HG2 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 54 and name HG2 or resid 54 and name HG3 or resid 69 and name HB2 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.7 0.7 0.7 volume=0.443 peak=181 ppm1=4.412 ppm2=2.409 assign ( resid 50 and name HA ) ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.9 0.8 0.8 volume=0.313 peak=182 ppm1=4.235 ppm2=2.373 assign ( resid 24 and name HA ) ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.1 0.6 0.6 volume=1.114 peak=183 ppm1=4.115 ppm2=2.373 assign ( resid 47 and name HA or resid 88 and name HA ) ( resid 13 and name HB2 or resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 ) 3.2 0.6 0.6 volume=1.002 peak=184 ppm1=4.063 ppm2=2.353 assign ( resid 75 and name HA ) ( resid 17 and name HB or resid 54 and name HB2 or resid 75 and name HB3 or resid 75 and name HB2 ) 3.3 0.7 0.7 volume=0.890 peak=185 ppm1=4.405 ppm2=2.274 assign ( resid 24 and name HA ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 ) 3.6 0.7 0.7 volume=0.530 peak=186 ppm1=4.115 ppm2=2.957 assign ( resid 50 and name HA ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 1 and name HB3 or resid 2 and name HB3 or resid 2 and name HB2 or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 94 and name HB3 ) 3.2 0.6 0.6 volume=1.035 peak=187 ppm1=4.248 ppm2=3.895 assign ( resid 50 and name HA ) ( resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.2 0.6 0.6 volume=0.991 peak=188 ppm1=4.246 ppm2=3.634 assign ( resid 89 and name HA ) ( resid 10 and name HA or resid 36 and name HA or resid 46 and name HA ) 3.7 0.7 0.7 volume=0.436 peak=189 ppm1=4.366 ppm2=4.939 assign ( resid 58 and name HA ) ( resid 22 and name HA ) 3.8 0.8 0.8 volume=0.338 peak=190 ppm1=4.227 ppm2=6.040 assign ( resid 50 and name HA ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 101 and name HE# ) 3.8 0.8 0.8 volume=0.514 peak=191 ppm1=4.243 ppm2=7.345 assign ( resid 47 and name HA or resid 53 and name HA ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 101 and name HE# or resid 101 and name HZ ) 4.0 0.8 0.8 volume=0.337 peak=192 ppm1=4.052 ppm2=7.333 assign ( resid 24 and name HA ) ( resid 27 and name HN or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 3.8 0.8 0.8 volume=0.412 peak=193 ppm1=4.128 ppm2=7.194 assign ( resid 24 and name HA ) ( resid 24 and name HN or resid 40 and name HN or resid 42 and name HN ) 3.4 0.7 0.7 volume=0.738 peak=194 ppm1=4.123 ppm2=9.000 assign ( resid 89 and name HA ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.3 0.7 0.7 volume=0.867 peak=195 ppm1=4.376 ppm2=8.885 assign ( resid 58 and name HA ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 3.3 0.7 0.7 volume=0.799 peak=196 ppm1=4.229 ppm2=8.878 assign ( resid 47 and name HA or resid 88 and name HA ) ( resid 47 and name HN or resid 86 and name HN ) 3.4 0.7 0.7 volume=0.673 peak=197 ppm1=4.074 ppm2=8.810 assign ( resid 89 and name HA ) ( resid 11 and name HN or resid 89 and name HN ) 3.7 0.7 0.7 volume=0.389 peak=198 ppm1=4.371 ppm2=8.751 assign ( resid 58 and name HA ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.7 0.7 0.7 volume=0.425 peak=199 ppm1=4.238 ppm2=8.559 assign ( resid 9 and name HA ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.5 0.7 0.7 volume=0.598 peak=200 ppm1=4.319 ppm2=8.542 assign ( resid 78 and name HA ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 70 and name HN or resid 78 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.5 0.7 0.7 volume=0.549 peak=201 ppm1=3.843 ppm2=8.208 assign ( resid 75 and name HA ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.7 0.7 0.7 volume=0.415 peak=202 ppm1=4.398 ppm2=8.129 assign ( resid 50 and name HA ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) 3.5 0.7 0.7 volume=0.617 peak=203 ppm1=4.239 ppm2=7.852 assign ( resid 47 and name HA or resid 88 and name HA ) ( resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 85 and name HN or resid 88 and name HN ) 3.9 0.8 0.8 volume=0.285 peak=204 ppm1=4.077 ppm2=7.815 assign ( resid 47 and name HA or resid 88 and name HA ) ( resid 48 and name HD21 or resid 85 and name HN or resid 88 and name HN ) 3.5 0.7 0.7 volume=0.560 peak=205 ppm1=4.057 ppm2=7.806 assign ( resid 78 and name HA ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 4.0 0.8 0.8 volume=0.256 peak=206 ppm1=3.842 ppm2=7.638 assign ( resid 88 and name HA ) ( resid 11 and name HN or resid 36 and name HN or resid 89 and name HN ) 4.7 0.9 0.9 volume=0.105 peak=207 ppm1=4.044 ppm2=8.745 assign ( resid 86 and name HA ) ( resid 47 and name HN or resid 71 and name HN or resid 86 and name HN ) 3.7 0.7 0.7 volume=0.399 peak=208 ppm1=4.363 ppm2=8.839 assign ( resid 45 and name HA ) ( resid 46 and name HN ) 3.3 0.7 0.7 volume=0.815 peak=209 ppm1=5.263 ppm2=9.743 assign ( resid 73 and name HA ) ( resid 24 and name HN or resid 40 and name HN or resid 74 and name HN ) 3.4 0.7 0.7 volume=0.696 peak=210 ppm1=5.101 ppm2=9.026 assign ( resid 23 and name HA ) ( resid 24 and name HN or resid 40 and name HN or resid 42 and name HN ) 3.3 0.7 0.7 volume=0.871 peak=211 ppm1=5.168 ppm2=9.000 assign ( resid 46 and name HA ) ( resid 47 and name HN or resid 86 and name HN ) 3.7 0.7 0.7 volume=0.443 peak=212 ppm1=4.967 ppm2=8.808 assign ( resid 23 and name HA ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.6 0.7 0.7 volume=0.526 peak=213 ppm1=5.167 ppm2=8.468 assign ( resid 46 and name HA ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.6 0.7 0.7 volume=0.486 peak=214 ppm1=4.970 ppm2=8.250 assign ( resid 36 and name HA ) ( resid 20 and name HN or resid 30 and name HN or resid 37 and name HN or resid 77 and name HN or resid 101 and name HN ) 3.5 0.7 0.7 volume=0.562 peak=215 ppm1=4.946 ppm2=8.024 assign ( resid 45 and name HA ) ( resid 6 and name HN or resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.7 0.7 0.7 volume=0.392 peak=216 ppm1=5.268 ppm2=8.154 assign ( resid 42 and name HA ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.4 0.7 0.7 volume=0.740 peak=217 ppm1=3.712 ppm2=8.135 assign ( resid 25 and name HA ) ( resid 14 and name HN or resid 25 and name HN or resid 48 and name HN or resid 63 and name HN or resid 81 and name HN or resid 106 and name HN ) 3.3 0.7 0.7 volume=0.911 peak=218 ppm1=4.292 ppm2=8.412 assign ( resid 13 and name HA or resid 86 and name HA ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.2 0.6 0.6 volume=1.064 peak=219 ppm1=4.374 ppm2=8.373 assign ( resid 13 and name HA or resid 86 and name HA ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.6 0.7 0.7 volume=0.507 peak=220 ppm1=4.374 ppm2=8.549 assign ( resid 25 and name HA ) ( resid 7 and name HN or resid 10 and name HN or resid 16 and name HN or resid 26 and name HN or resid 100 and name HN or resid 105 and name HN ) 3.7 0.7 0.7 volume=0.398 peak=221 ppm1=4.302 ppm2=8.296 assign ( resid 94 and name HA ) ( resid 6 and name HN or resid 16 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 4.2 0.8 0.8 volume=0.197 peak=222 ppm1=4.403 ppm2=8.222 assign ( resid 33 and name HA ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN ) 3.6 0.7 0.7 volume=0.497 peak=223 ppm1=4.863 ppm2=7.663 assign ( resid 36 and name HA ) ( resid 27 and name HN or resid 36 and name HD# ) 3.9 0.8 0.8 volume=0.422 peak=224 ppm1=4.944 ppm2=7.152 assign ( resid 101 and name HA ) ( resid 6 and name HD# or resid 51 and name HE# or resid 57 and name HD21 or resid 74 and name HZ3 or resid 74 and name HD1 or resid 83 and name HN or resid 101 and name HD# ) 3.3 0.7 0.7 volume=0.990 peak=225 ppm1=4.561 ppm2=7.236 assign ( resid 42 and name HA ) ( resid 19 and name HA or resid 64 and name HA or resid 71 and name HA ) 3.6 0.7 0.7 volume=0.460 peak=226 ppm1=3.719 ppm2=5.019 assign ( resid 73 and name HA ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA or resid 106 and name HA ) 3.5 0.7 0.7 volume=0.619 peak=227 ppm1=5.097 ppm2=4.320 assign ( resid 2 and name HA ) ( resid 1 and name HB3 or resid 2 and name HB2 or resid 31 and name HD3 or resid 49 and name HA or resid 50 and name HB3 or resid 93 and name HA1 or resid 94 and name HB3 ) 2.8 0.6 0.6 volume=2.425 peak=228 ppm1=4.548 ppm2=3.929 assign ( resid 1 and name HA ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 1 and name HB3 or resid 2 and name HB3 or resid 2 and name HB2 or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB3 ) 2.6 0.5 0.5 volume=3.898 peak=229 ppm1=4.477 ppm2=3.892 assign ( resid 94 and name HA ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 1 and name HB3 or resid 2 and name HB3 or resid 11 and name HA or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB3 or resid 94 and name HB2 ) 2.7 0.5 0.5 volume=2.552 peak=230 ppm1=4.423 ppm2=3.879 assign ( resid 101 and name HA ) ( resid 3 and name HD3 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 2.8 0.6 0.6 volume=2.164 peak=231 ppm1=4.560 ppm2=3.134 assign ( resid 101 and name HA ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 2.7 0.5 0.5 volume=2.612 peak=232 ppm1=4.559 ppm2=3.023 assign ( resid 46 and name HA ) ( resid 12 and name HA or resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 3.4 0.7 0.7 volume=0.699 peak=233 ppm1=4.956 ppm2=3.716 assign ( resid 23 and name HA ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.3 0.7 0.7 volume=0.857 peak=234 ppm1=5.171 ppm2=3.473 assign ( resid 73 and name HA ) ( resid 73 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.7 0.7 0.7 volume=0.439 peak=235 ppm1=5.095 ppm2=3.396 assign ( resid 36 and name HA ) ( resid 26 and name HB2 or resid 33 and name HB2 or resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 or resid 74 and name HB3 ) 3.4 0.7 0.7 volume=0.640 peak=236 ppm1=4.940 ppm2=3.305 assign ( resid 33 and name HA ) ( resid 26 and name HB2 or resid 33 and name HB2 or resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 or resid 82 and name HA ) 3.2 0.6 0.6 volume=1.046 peak=237 ppm1=4.878 ppm2=3.280 assign ( resid 46 and name HA ) ( resid 6 and name HB2 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 82 and name HA ) 3.7 0.7 0.7 volume=0.439 peak=238 ppm1=4.964 ppm2=3.220 assign ( resid 45 and name HA ) ( resid 12 and name HA or resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 3.8 0.8 0.8 volume=0.374 peak=239 ppm1=5.272 ppm2=3.713 assign ( resid 45 and name HA ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 92 and name HA or resid 106 and name HA ) 3.9 0.8 0.8 volume=0.302 peak=240 ppm1=5.267 ppm2=4.377 assign ( resid 73 and name HA ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.8 0.8 0.8 volume=0.373 peak=241 ppm1=5.096 ppm2=3.148 assign ( resid 23 and name HA ) ( resid 29 and name HE3 or resid 38 and name HD3 or resid 49 and name HB2 or resid 64 and name HB3 or resid 91 and name HB2 or resid 95 and name HB2 or resid 95 and name HB3 ) 3.9 0.8 0.8 volume=0.326 peak=242 ppm1=5.155 ppm2=2.788 assign ( resid 36 and name HA ) ( resid 11 and name HB3 or resid 29 and name HE3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 3.8 0.8 0.8 volume=0.377 peak=243 ppm1=4.934 ppm2=2.762 assign ( resid 45 and name HA ) ( resid 11 and name HB3 or resid 29 and name HE3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 91 and name HB3 or resid 95 and name HB3 ) 4.0 0.8 0.8 volume=0.271 peak=244 ppm1=5.256 ppm2=2.750 assign ( resid 23 and name HA ) ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 3.6 0.7 0.7 volume=0.534 peak=245 ppm1=5.170 ppm2=2.635 assign ( resid 72 and name HA ) ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 40 and name HE2 or resid 58 and name HB2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 77 and name HB2 or resid 77 and name HB3 or resid 98 and name HB2 ) 3.9 0.8 0.8 volume=0.293 peak=246 ppm1=5.368 ppm2=2.625 assign ( resid 33 and name HA ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 27 and name HB3 or resid 33 and name HB3 or resid 40 and name HE3 or resid 57 and name HB3 or resid 69 and name HB2 ) 3.3 0.7 0.7 volume=0.855 peak=247 ppm1=4.871 ppm2=2.475 assign ( resid 46 and name HA ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.6 0.7 0.7 volume=0.487 peak=248 ppm1=4.954 ppm2=2.439 assign ( resid 45 and name HA ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.5 0.7 0.7 volume=0.595 peak=249 ppm1=5.262 ppm2=2.425 assign ( resid 86 and name HA ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB3 ) 4.0 0.8 0.8 volume=0.282 peak=250 ppm1=4.386 ppm2=2.738 assign ( resid 58 and name HA ) ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 71 and name HB3 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 4.0 0.8 0.8 volume=0.272 peak=251 ppm1=4.231 ppm2=2.660 assign ( resid 25 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 60 and name HB or resid 78 and name HB3 or resid 107 and name HB ) 3.2 0.6 0.6 volume=1.128 peak=252 ppm1=4.295 ppm2=2.098 assign ( resid 25 and name HA ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.1 0.6 0.6 volume=1.293 peak=253 ppm1=4.298 ppm2=2.000 assign ( resid 53 and name HA ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 104 and name HB2 or resid 106 and name HB2 ) 2.7 0.5 0.5 volume=2.944 peak=254 ppm1=4.040 ppm2=1.859 assign ( resid 13 and name HA or resid 86 and name HA ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 104 and name HB2 or resid 106 and name HB2 ) 3.1 0.6 0.6 volume=1.262 peak=255 ppm1=4.383 ppm2=1.860 assign ( resid 53 and name HA ) ( resid 3 and name HB3 or resid 8 and name HB2 or resid 12 and name HB3 or resid 22 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 103 and name HB3 or resid 104 and name HD2 or resid 104 and name HD3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 or resid 106 and name HB3 ) 3.3 0.7 0.7 volume=0.798 peak=256 ppm1=4.038 ppm2=1.726 assign ( resid 25 and name HA ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HG or resid 83 and name HB3 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.3 0.7 0.7 volume=0.886 peak=257 ppm1=4.299 ppm2=1.709 assign ( resid 94 and name HA ) ( resid 3 and name HG2 or resid 8 and name HG or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 ) 3.8 0.8 0.8 volume=0.357 peak=258 ppm1=4.417 ppm2=1.623 assign ( resid 25 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.6 0.7 0.7 volume=0.506 peak=259 ppm1=4.292 ppm2=1.600 assign ( resid 13 and name HA or resid 86 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.5 0.7 0.7 volume=0.620 peak=260 ppm1=4.379 ppm2=1.565 assign ( resid 42 and name HA ) ( resid 13 and name HG3 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) 3.5 0.7 0.7 volume=0.634 peak=261 ppm1=3.730 ppm2=1.532 assign ( resid 53 and name HA ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.1 0.6 0.6 volume=1.285 peak=262 ppm1=4.044 ppm2=1.508 assign ( resid 25 and name HA ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.5 0.7 0.7 volume=0.629 peak=263 ppm1=4.289 ppm2=1.502 assign ( resid 47 and name HA or resid 88 and name HA ) ( resid 22 and name HD1# or resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 4.0 0.8 0.8 volume=0.278 peak=264 ppm1=4.044 ppm2=1.402 assign ( resid 50 and name HA ) ( resid 12 and name HG or resid 22 and name HD1# or resid 40 and name HB3 or resid 55 and name HB# or resid 59 and name HG12 ) 3.4 0.7 0.7 volume=0.950 peak=265 ppm1=4.237 ppm2=1.348 assign ( resid 58 and name HA ) ( resid 12 and name HG or resid 22 and name HD1# or resid 40 and name HB3 or resid 55 and name HB# or resid 59 and name HG12 ) 4.2 0.8 0.8 volume=0.274 peak=266 ppm1=4.240 ppm2=1.334 assign ( resid 42 and name HA ) ( resid 19 and name HG2# or resid 40 and name HG3 or resid 42 and name HG2 ) 4.1 0.8 0.8 volume=0.304 peak=267 ppm1=3.729 ppm2=1.169 assign ( resid 94 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.4 0.9 0.9 volume=0.459 peak=268 ppm1=4.418 ppm2=0.906 assign ( resid 40 and name HA ) ( resid 22 and name HD1# or resid 29 and name HD3 or resid 40 and name HB3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) 3.6 0.7 0.7 volume=0.516 peak=269 ppm1=4.806 ppm2=1.382 assign ( resid 40 and name HA ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 40 and name HG3 or resid 59 and name HG13 or resid 83 and name HG2 ) 3.9 0.8 0.8 volume=0.377 peak=270 ppm1=4.815 ppm2=1.240 assign ( resid 40 and name HA ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 3.6 0.7 0.7 volume=0.629 peak=271 ppm1=4.812 ppm2=1.105 assign ( resid 33 and name HA ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 107 and name HG2# ) 4.5 0.9 0.9 volume=0.309 peak=272 ppm1=4.882 ppm2=0.955 assign ( resid 23 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.8 0.8 0.8 volume=1.001 peak=273 ppm1=5.163 ppm2=0.919 assign ( resid 45 and name HA ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 3.7 0.7 0.7 volume=0.894 peak=274 ppm1=5.272 ppm2=0.801 assign ( resid 45 and name HA ) ( resid 12 and name HD1# or resid 45 and name HG1# ) 4.6 0.9 0.9 volume=0.356 peak=275 ppm1=5.267 ppm2=0.643 assign ( resid 42 and name HA ) ( resid 43 and name HG2# ) 4.7 0.9 0.9 volume=0.299 peak=276 ppm1=3.711 ppm2=-0.109 assign ( resid 71 and name HA ) ( resid 43 and name HG2# ) 4.3 0.9 0.9 volume=0.523 peak=277 ppm1=5.009 ppm2=-0.109 assign ( resid 34 and name HA or resid 63 and name HA ) ( resid 22 and name HD2# or resid 29 and name HG2 or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 4.0 0.8 0.8 volume=0.434 peak=278 ppm1=4.500 ppm2=1.013 assign ( resid 3 and name HA or resid 27 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.1 0.8 0.8 volume=0.728 peak=279 ppm1=4.274 ppm2=0.907 assign ( resid 3 and name HA or resid 5 and name HA or resid 99 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.4 0.9 0.9 volume=0.459 peak=280 ppm1=4.222 ppm2=0.915 assign ( resid 63 and name HA or resid 84 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.3 0.7 0.7 volume=2.615 peak=281 ppm1=4.466 ppm2=0.900 assign ( resid 48 and name HA or resid 84 and name HA ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.5 0.9 0.9 volume=0.397 peak=282 ppm1=4.473 ppm2=0.632 assign ( resid 12 and name HA ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 3.9 0.8 0.8 volume=0.930 peak=283 ppm1=3.751 ppm2=0.632 assign ( resid 54 and name HA or resid 106 and name HA ) ( resid 17 and name HB or resid 54 and name HB2 or resid 75 and name HB3 or resid 75 and name HB2 or resid 87 and name HB2 or resid 102 and name HG2 ) 3.2 0.6 0.6 volume=1.006 peak=284 ppm1=4.329 ppm2=2.250 assign ( resid 3 and name HA or resid 27 and name HA or resid 99 and name HA or resid 102 and name HA ) ( resid 37 and name HB or resid 54 and name HB2 or resid 67 and name HB or resid 87 and name HB2 or resid 102 and name HG2 or resid 102 and name HG3 ) 3.0 0.6 0.6 volume=1.465 peak=285 ppm1=4.227 ppm2=2.212 assign ( resid 81 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.5 0.7 0.7 volume=0.649 peak=286 ppm1=4.186 ppm2=2.154 assign ( resid 3 and name HA or resid 27 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 31 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 60 and name HB or resid 78 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 107 and name HB ) 4.0 0.8 0.8 volume=0.285 peak=287 ppm1=4.272 ppm2=2.113 assign ( resid 54 and name HA or resid 106 and name HA ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 3.3 0.7 0.7 volume=0.878 peak=288 ppm1=4.343 ppm2=2.060 assign ( resid 3 and name HA or resid 99 and name HA or resid 102 and name HA ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.0 0.6 0.6 volume=1.511 peak=289 ppm1=4.225 ppm2=1.998 assign ( resid 106 and name HA ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 104 and name HB2 or resid 106 and name HB2 ) 3.3 0.7 0.7 volume=0.786 peak=290 ppm1=4.357 ppm2=1.859 assign ( resid 81 and name HA ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.5 0.7 0.7 volume=0.588 peak=291 ppm1=4.185 ppm2=1.780 assign ( resid 27 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 2.4 0.5 0.5 volume=5.144 peak=292 ppm1=4.282 ppm2=1.771 assign ( resid 3 and name HA or resid 99 and name HA or resid 102 and name HA ) ( resid 3 and name HB3 or resid 8 and name HB2 or resid 12 and name HB3 or resid 22 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HD2 or resid 104 and name HD3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 2.7 0.5 0.5 volume=2.656 peak=293 ppm1=4.226 ppm2=1.736 assign ( resid 27 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 2.8 0.6 0.6 volume=2.070 peak=294 ppm1=4.283 ppm2=1.589 assign ( resid 81 and name HA ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 60 and name HG12 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.1 0.6 0.6 volume=1.300 peak=295 ppm1=4.181 ppm2=1.519 assign ( resid 3 and name HA or resid 5 and name HA or resid 99 and name HA ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 2.8 0.6 0.6 volume=2.431 peak=296 ppm1=4.226 ppm2=1.502 assign ( resid 54 and name HA or resid 106 and name HA ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.8 0.8 0.8 volume=0.361 peak=297 ppm1=4.354 ppm2=1.463 assign ( resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 2.9 0.6 0.6 volume=1.762 peak=298 ppm1=4.294 ppm2=1.449 assign ( resid 4 and name HA or resid 100 and name HA ) ( resid 3 and name HB3 or resid 12 and name HB3 or resid 22 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HD2 or resid 104 and name HD3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.7 0.7 0.7 volume=0.396 peak=299 ppm1=4.558 ppm2=1.737 assign ( resid 34 and name HA or resid 63 and name HA or resid 84 and name HA ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 31 and name HG2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.1 0.6 0.6 volume=1.159 peak=300 ppm1=4.468 ppm2=1.746 assign ( resid 34 and name HA or resid 63 and name HA or resid 84 and name HA ) ( resid 3 and name HB3 or resid 12 and name HB3 or resid 22 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.1 0.6 0.6 volume=1.199 peak=301 ppm1=4.488 ppm2=1.740 assign ( resid 34 and name HA or resid 63 and name HA or resid 84 and name HA ) ( resid 3 and name HG2 or resid 8 and name HG or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 ) 3.2 0.6 0.6 volume=1.096 peak=302 ppm1=4.472 ppm2=1.619 assign ( resid 100 and name HA ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.8 0.8 0.8 volume=0.348 peak=303 ppm1=4.540 ppm2=1.503 assign ( resid 34 and name HA or resid 63 and name HA ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 4.0 0.8 0.8 volume=0.275 peak=304 ppm1=4.471 ppm2=1.507 assign ( resid 56 and name HA or resid 83 and name HA ) ( resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 2.9 0.6 0.6 volume=1.716 peak=305 ppm1=4.280 ppm2=2.009 assign ( resid 27 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 or resid 103 and name HB2 or resid 104 and name HB2 or resid 106 and name HB2 ) 3.5 0.7 0.7 volume=0.558 peak=306 ppm1=4.276 ppm2=1.866 assign ( resid 3 and name HA or resid 99 and name HA or resid 102 and name HA ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 89 and name HB or resid 102 and name HB3 ) 3.8 0.8 0.8 volume=0.371 peak=307 ppm1=4.217 ppm2=1.918 assign ( resid 76 and name HA ) ( resid 25 and name HN or resid 38 and name HN or resid 63 and name HN or resid 81 and name HN ) 3.9 0.8 0.8 volume=0.298 peak=308 ppm1=3.870 ppm2=8.440 assign ( resid 76 and name HA ) ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 3.5 0.7 0.7 volume=0.625 peak=309 ppm1=3.875 ppm2=2.674 assign ( resid 31 and name HA ) ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 4.2 0.8 0.8 volume=0.191 peak=310 ppm1=4.288 ppm2=1.406 assign ( resid 31 and name HA ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 4.1 0.8 0.8 volume=0.238 peak=311 ppm1=4.295 ppm2=8.885 assign ( resid 50 and name HB3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 3.9 0.8 0.8 volume=0.316 peak=312 ppm1=3.892 ppm2=1.996 assign ( resid 77 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 4.0 0.8 0.8 volume=0.253 peak=313 ppm1=4.253 ppm2=1.581 assign ( resid 74 and name HA ) ( resid 12 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 40 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 87 and name HG2 or resid 102 and name HB2 ) 3.9 0.8 0.8 volume=0.309 peak=314 ppm1=3.806 ppm2=2.030 assign ( resid 74 and name HA ) ( resid 7 and name HB3 or resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 71 and name HB3 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 4.1 0.8 0.8 volume=0.221 peak=315 ppm1=3.816 ppm2=2.655 assign ( resid 26 and name HA ) ( resid 21 and name HD2# or resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# or resid 90 and name HD1# ) 4.8 1.0 1.0 volume=0.186 peak=316 ppm1=4.056 ppm2=0.768 assign ( resid 24 and name HA ) ( resid 23 and name HA or resid 44 and name HA or resid 68 and name HA ) 4.2 0.8 0.8 volume=0.191 peak=317 ppm1=4.120 ppm2=5.182 assign ( resid 46 and name HA ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 4.1 0.8 0.8 volume=0.228 peak=318 ppm1=4.957 ppm2=2.078 assign ( resid 46 and name HA ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 104 and name HB2 or resid 106 and name HB2 ) 4.0 0.8 0.8 volume=0.258 peak=319 ppm1=4.954 ppm2=1.850 assign ( resid 42 and name HA ) ( resid 21 and name HD2# or resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# or resid 90 and name HD1# ) 4.7 0.9 0.9 volume=0.203 peak=320 ppm1=3.709 ppm2=0.774 assign ( resid 72 and name HA ) ( resid 12 and name HN or resid 73 and name HN ) 3.4 0.7 0.7 volume=0.691 peak=321 ppm1=5.365 ppm2=9.564 assign ( resid 72 and name HA ) ( resid 22 and name HN or resid 72 and name HN ) 4.2 0.8 0.8 volume=0.197 peak=322 ppm1=5.388 ppm2=9.330 assign ( resid 72 and name HA ) ( resid 68 and name HD22 or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) 4.1 0.8 0.8 volume=0.268 peak=323 ppm1=5.393 ppm2=6.985 assign ( resid 72 and name HA ) ( resid 41 and name HA or resid 64 and name HA or resid 73 and name HA or resid 87 and name HA ) 4.1 0.8 0.8 volume=0.230 peak=324 ppm1=5.383 ppm2=5.080 assign ( resid 86 and name HA ) ( resid 19 and name HB or resid 24 and name HA or resid 52 and name HA2 or resid 81 and name HA or resid 87 and name HD2 ) 3.8 0.8 0.8 volume=0.356 peak=325 ppm1=4.356 ppm2=4.163 assign ( resid 13 and name HA or resid 86 and name HA ) ( resid 12 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 3.5 0.7 0.7 volume=0.549 peak=326 ppm1=4.361 ppm2=3.751 assign ( resid 13 and name HA or resid 86 and name HA ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 44 and name HD2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) 4.0 0.8 0.8 volume=0.248 peak=327 ppm1=4.375 ppm2=3.172 assign ( resid 13 and name HA or resid 86 and name HA ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 57 and name HB3 or resid 69 and name HB2 ) 4.0 0.8 0.8 volume=0.261 peak=328 ppm1=4.378 ppm2=2.467 assign ( resid 86 and name HA ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 ) 4.1 0.8 0.8 volume=0.239 peak=329 ppm1=4.349 ppm2=2.452 assign ( resid 13 and name HA or resid 86 and name HA ) ( resid 13 and name HB2 or resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 ) 3.8 0.8 0.8 volume=0.354 peak=330 ppm1=4.377 ppm2=2.343 assign ( resid 13 and name HA or resid 86 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.8 0.8 0.8 volume=0.396 peak=331 ppm1=4.372 ppm2=2.136 assign ( resid 86 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 12 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 4.2 0.8 0.8 volume=0.193 peak=332 ppm1=4.392 ppm2=2.085 assign ( resid 13 and name HA ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.7 0.7 0.7 volume=0.392 peak=333 ppm1=4.399 ppm2=1.978 assign ( resid 81 and name HA ) ( resid 25 and name HN or resid 34 and name HN or resid 38 and name HN or resid 63 and name HN or resid 67 and name HN or resid 81 and name HN ) 3.5 0.7 0.7 volume=0.595 peak=334 ppm1=4.191 ppm2=8.441 assign ( resid 48 and name HA ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 4.1 0.8 0.8 volume=0.236 peak=335 ppm1=4.467 ppm2=8.399 assign ( resid 71 and name HA ) ( resid 22 and name HN or resid 72 and name HN ) 3.5 0.7 0.7 volume=0.574 peak=336 ppm1=5.016 ppm2=9.333 assign ( resid 48 and name HA ) ( resid 49 and name HN ) 3.9 0.8 0.8 volume=0.313 peak=337 ppm1=4.477 ppm2=9.169 assign ( resid 81 and name HA ) ( resid 82 and name HN ) 3.8 0.8 0.8 volume=0.354 peak=338 ppm1=4.190 ppm2=9.257 assign ( resid 71 and name HA ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 4.1 0.8 0.8 volume=0.225 peak=339 ppm1=5.004 ppm2=8.126 assign ( resid 3 and name HA or resid 27 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA ) ( resid 8 and name HN or resid 28 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 3.2 0.6 0.6 volume=0.982 peak=340 ppm1=4.261 ppm2=7.915 assign ( resid 106 and name HA ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN or resid 107 and name HN ) 2.8 0.6 0.6 volume=2.079 peak=341 ppm1=4.354 ppm2=7.739 assign ( resid 4 and name HA or resid 100 and name HA ) ( resid 14 and name HE22 or resid 71 and name HD# or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) 4.1 0.8 0.8 volume=0.304 peak=342 ppm1=4.551 ppm2=6.961 assign ( resid 34 and name HA or resid 63 and name HA ) ( resid 4 and name HD2 or resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HD# or resid 72 and name HE# or resid 91 and name HD22 or resid 95 and name HD21 or resid 100 and name HD2 ) 4.2 0.8 0.8 volume=0.252 peak=343 ppm1=4.502 ppm2=6.940 assign ( resid 63 and name HA or resid 84 and name HA ) ( resid 4 and name HD2 or resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 95 and name HD21 ) 3.8 0.8 0.8 volume=0.435 peak=344 ppm1=4.460 ppm2=6.923 assign ( resid 54 and name HA or resid 106 and name HA ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 71 and name HE# or resid 74 and name HH2 or resid 101 and name HZ ) 3.9 0.8 0.8 volume=0.366 peak=345 ppm1=4.333 ppm2=7.318 assign ( resid 3 and name HA or resid 99 and name HA or resid 102 and name HA ) ( resid 6 and name HD# or resid 51 and name HE# or resid 71 and name HE# or resid 74 and name HZ3 or resid 74 and name HD1 or resid 74 and name HH2 or resid 101 and name HD# ) 4.2 0.8 0.8 volume=0.288 peak=346 ppm1=4.226 ppm2=7.259 assign ( resid 63 and name HA or resid 84 and name HA ) ( resid 27 and name HN or resid 51 and name HE# or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 3.9 0.8 0.8 volume=0.344 peak=347 ppm1=4.462 ppm2=7.201 assign ( resid 106 and name HA ) ( resid 27 and name HN or resid 51 and name HE# or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 4.0 0.8 0.8 volume=0.298 peak=348 ppm1=4.345 ppm2=7.197 assign ( resid 3 and name HA or resid 27 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA ) ( resid 27 and name HN or resid 36 and name HD# or resid 57 and name HD21 or resid 83 and name HN ) 3.6 0.7 0.7 volume=0.585 peak=349 ppm1=4.267 ppm2=7.184 assign ( resid 34 and name HA ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE ) 3.8 0.8 0.8 volume=0.367 peak=350 ppm1=4.506 ppm2=7.644 assign ( resid 54 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE ) 3.9 0.8 0.8 volume=0.319 peak=351 ppm1=4.321 ppm2=7.645 assign ( resid 63 and name HA or resid 84 and name HA ) ( resid 29 and name HN or resid 44 and name HN or resid 74 and name HZ2 or resid 84 and name HN or resid 88 and name HE or resid 91 and name HD21 or resid 95 and name HD22 ) 3.5 0.7 0.7 volume=0.595 peak=352 ppm1=4.464 ppm2=7.577 assign ( resid 34 and name HA or resid 63 and name HA ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.1 0.6 0.6 volume=1.189 peak=353 ppm1=4.501 ppm2=8.483 assign ( resid 69 and name HA ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 54 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.9 0.8 0.8 volume=0.302 peak=354 ppm1=4.530 ppm2=8.489 assign ( resid 3 and name HA or resid 27 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.8 0.8 0.8 volume=0.347 peak=355 ppm1=4.256 ppm2=8.250 assign ( resid 27 and name HA or resid 96 and name HA or resid 103 and name HA ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.8 0.8 0.8 volume=0.357 peak=356 ppm1=4.281 ppm2=8.232 assign ( resid 69 and name HA ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.2 0.6 0.6 volume=0.928 peak=357 ppm1=4.539 ppm2=8.230 assign ( resid 69 and name HA ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.2 0.6 0.6 volume=0.967 peak=358 ppm1=4.521 ppm2=8.230 assign ( resid 18 and name HA ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 2.9 0.6 0.6 volume=1.856 peak=359 ppm1=4.378 ppm2=8.112 assign ( resid 18 and name HA ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 3.7 0.7 0.7 volume=0.424 peak=360 ppm1=4.373 ppm2=8.613 assign ( resid 38 and name HA ) ( resid 25 and name HN or resid 34 and name HN or resid 38 and name HN or resid 63 and name HN or resid 67 and name HN or resid 81 and name HN ) 3.3 0.7 0.7 volume=0.828 peak=361 ppm1=4.283 ppm2=8.444 assign ( resid 12 and name HA ) ( resid 12 and name HN ) 3.5 0.7 0.7 volume=0.614 peak=362 ppm1=3.764 ppm2=9.514 assign ( resid 48 and name HA ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.3 0.7 0.7 volume=0.864 peak=363 ppm1=4.497 ppm2=2.880 assign ( resid 81 and name HA ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 20 and name HA1 or resid 27 and name HB2 or resid 42 and name HE2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.9 0.8 0.8 volume=0.319 peak=364 ppm1=4.187 ppm2=2.970 assign ( resid 81 and name HA ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 107 and name HG2# ) 4.7 0.9 0.9 volume=0.249 peak=365 ppm1=4.185 ppm2=0.954 assign ( resid 71 and name HA ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.7 0.7 0.7 volume=0.404 peak=366 ppm1=5.017 ppm2=1.504 assign ( resid 34 and name HA or resid 63 and name HA or resid 84 and name HA ) ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 2.9 0.6 0.6 volume=1.790 peak=367 ppm1=4.469 ppm2=2.684 assign ( resid 71 and name HA ) ( resid 12 and name HA or resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 3.6 0.7 0.7 volume=0.472 peak=368 ppm1=5.008 ppm2=3.739 assign ( resid 71 and name HA ) ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 3.7 0.7 0.7 volume=0.407 peak=369 ppm1=5.004 ppm2=2.639 assign ( resid 71 and name HA ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 4.0 0.8 0.8 volume=0.248 peak=370 ppm1=5.014 ppm2=2.855 assign ( resid 27 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 44 and name HD2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 2.9 0.6 0.6 volume=1.740 peak=371 ppm1=4.278 ppm2=3.169 assign ( resid 3 and name HA or resid 5 and name HA or resid 27 and name HA or resid 99 and name HA ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.2 0.6 0.6 volume=1.015 peak=372 ppm1=4.228 ppm2=3.150 assign ( resid 54 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.6 0.7 0.7 volume=0.497 peak=373 ppm1=4.307 ppm2=3.018 assign ( resid 3 and name HA or resid 102 and name HA ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.5 0.7 0.7 volume=0.634 peak=374 ppm1=4.216 ppm2=3.018 assign ( resid 27 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.3 0.7 0.7 volume=0.778 peak=375 ppm1=4.277 ppm2=3.005 assign ( resid 27 and name HA or resid 99 and name HA or resid 103 and name HA ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) 3.5 0.7 0.7 volume=0.538 peak=376 ppm1=4.257 ppm2=2.954 assign ( resid 3 and name HA or resid 27 and name HA or resid 99 and name HA ) ( resid 10 and name HG3 or resid 27 and name HB3 or resid 34 and name HB3 or resid 57 and name HB3 ) 3.8 0.8 0.8 volume=0.371 peak=377 ppm1=4.251 ppm2=2.529 assign ( resid 27 and name HA or resid 96 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) ( resid 27 and name HB3 or resid 33 and name HB3 or resid 34 and name HB3 or resid 57 and name HB3 ) 3.7 0.7 0.7 volume=0.425 peak=378 ppm1=4.277 ppm2=2.506 assign ( resid 54 and name HA or resid 106 and name HA ) ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 45 and name HB or resid 46 and name HB3 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.1 0.6 0.6 volume=1.212 peak=379 ppm1=4.327 ppm2=2.387 assign ( resid 34 and name HA or resid 63 and name HA or resid 84 and name HA ) ( resid 10 and name HG3 or resid 34 and name HB3 or resid 40 and name HE2 ) 3.4 0.7 0.7 volume=0.713 peak=380 ppm1=4.483 ppm2=2.556 assign ( resid 34 and name HA or resid 63 and name HA ) ( resid 10 and name HG3 or resid 27 and name HB3 or resid 34 and name HB3 ) 3.5 0.7 0.7 volume=0.554 peak=381 ppm1=4.504 ppm2=2.543 assign ( resid 100 and name HA ) ( resid 4 and name HB3 or resid 6 and name HB3 or resid 13 and name HE3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 2.4 0.5 0.5 volume=5.115 peak=382 ppm1=4.543 ppm2=3.026 assign ( resid 48 and name HA or resid 84 and name HA ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 2.9 0.6 0.6 volume=1.982 peak=383 ppm1=4.474 ppm2=3.019 assign ( resid 69 and name HA ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.0 0.8 0.8 volume=0.807 peak=384 ppm1=4.532 ppm2=0.607 assign ( resid 29 and name HA ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 59 and name HG2# or resid 65 and name HG1# or resid 70 and name HB# ) 4.0 0.8 0.8 volume=0.535 peak=385 ppm1=4.084 ppm2=1.037 assign ( resid 29 and name HA ) ( resid 3 and name HG2 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.7 0.7 0.7 volume=0.426 peak=386 ppm1=4.081 ppm2=1.602 assign ( resid 69 and name HA ) ( resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 102 and name HG3 ) 3.7 0.7 0.7 volume=0.447 peak=387 ppm1=4.526 ppm2=2.171 assign ( resid 38 and name HA ) ( resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.0 0.6 0.6 volume=1.604 peak=388 ppm1=4.286 ppm2=3.652 assign ( resid 29 and name HA ) ( resid 20 and name HN or resid 30 and name HN or resid 37 and name HN or resid 101 and name HN ) 3.2 0.6 0.6 volume=0.996 peak=389 ppm1=4.074 ppm2=8.015 assign ( resid 29 and name HA ) ( resid 29 and name HN or resid 74 and name HZ2 or resid 84 and name HN or resid 91 and name HD21 ) 3.7 0.7 0.7 volume=0.428 peak=390 ppm1=4.078 ppm2=7.550 assign ( resid 30 and name HA ) ( resid 20 and name HN or resid 30 and name HN or resid 37 and name HN or resid 77 and name HN or resid 101 and name HN ) 3.9 0.8 0.8 volume=0.321 peak=391 ppm1=5.214 ppm2=8.018 assign ( resid 29 and name HA ) ( resid 10 and name HA or resid 36 and name HA or resid 46 and name HA ) 3.8 0.8 0.8 volume=0.375 peak=392 ppm1=4.084 ppm2=4.947 assign ( resid 30 and name HA ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 24 and name HA or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 52 and name HA2 or resid 55 and name HA or resid 80 and name HA2 or resid 87 and name HD2 or resid 88 and name HA ) 3.4 0.7 0.7 volume=0.644 peak=393 ppm1=5.216 ppm2=4.088 assign ( resid 30 and name HA ) ( resid 1 and name HB3 or resid 2 and name HB2 or resid 31 and name HD3 or resid 49 and name HA or resid 93 and name HA2 or resid 93 and name HA1 or resid 94 and name HB3 ) 3.5 0.7 0.7 volume=0.624 peak=394 ppm1=5.213 ppm2=3.938 assign ( resid 92 and name HA or resid 97 and name HA ) ( resid 3 and name HG2 or resid 8 and name HG or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 ) 2.4 0.5 0.5 volume=5.230 peak=395 ppm1=4.319 ppm2=1.611 assign ( resid 92 and name HA or resid 97 and name HA ) ( resid 8 and name HD2# or resid 9 and name HG2# or resid 9 and name HD1# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# or resid 92 and name HD2# or resid 97 and name HD2# or resid 107 and name HG1# ) 2.9 0.6 0.6 volume=5.373 peak=396 ppm1=4.325 ppm2=0.860 assign ( resid 30 and name HA ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 44 and name HD2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 4.0 0.8 0.8 volume=0.275 peak=397 ppm1=5.219 ppm2=3.166 assign ( resid 30 and name HA ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 ) 4.2 0.8 0.8 volume=0.189 peak=398 ppm1=5.231 ppm2=3.491 assign ( resid 30 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 4.0 0.8 0.8 volume=0.269 peak=399 ppm1=5.233 ppm2=1.588 assign ( resid 29 and name HA ) ( resid 29 and name HG3 ) 3.8 0.8 0.8 volume=0.363 peak=400 ppm1=4.059 ppm2=0.405 assign ( resid 56 and name HA or resid 83 and name HA or resid 97 and name HA ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 88 and name HN or resid 100 and name HE1 ) 3.9 0.8 0.8 volume=0.302 peak=401 ppm1=4.301 ppm2=7.832 assign ( resid 56 and name HA or resid 97 and name HA ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE ) 3.5 0.7 0.7 volume=0.538 peak=402 ppm1=4.281 ppm2=7.642 assign ( resid 92 and name HA or resid 97 and name HA ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.5 0.7 0.7 volume=0.583 peak=403 ppm1=4.320 ppm2=8.229 assign ( resid 41 and name HA ) ( resid 42 and name HN ) 3.4 0.7 0.7 volume=0.661 peak=404 ppm1=5.072 ppm2=8.952 assign ( resid 10 and name HA ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 3.8 0.8 0.8 volume=0.341 peak=405 ppm1=4.938 ppm2=8.875 assign ( resid 10 and name HA ) ( resid 11 and name HN or resid 89 and name HN ) 3.6 0.7 0.7 volume=0.529 peak=406 ppm1=4.937 ppm2=8.765 assign ( resid 8 and name HA ) ( resid 9 and name HN or resid 13 and name HN or resid 21 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.7 0.7 0.7 volume=0.415 peak=407 ppm1=4.576 ppm2=8.538 assign ( resid 7 and name HA ) ( resid 8 and name HN or resid 28 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 2.8 0.6 0.6 volume=2.213 peak=408 ppm1=4.605 ppm2=7.932 assign ( resid 41 and name HA ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE ) 3.8 0.8 0.8 volume=0.333 peak=409 ppm1=5.091 ppm2=7.643 assign ( resid 55 and name HA ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 74 and name HH2 or resid 101 and name HZ ) 3.5 0.7 0.7 volume=0.676 peak=410 ppm1=4.063 ppm2=7.320 assign ( resid 55 and name HA ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 88 and name HN or resid 100 and name HE1 ) 4.0 0.8 0.8 volume=0.262 peak=411 ppm1=4.065 ppm2=7.831 assign ( resid 90 and name HA ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.6 0.7 0.7 volume=0.509 peak=412 ppm1=4.379 ppm2=8.885 assign ( resid 10 and name HA ) ( resid 7 and name HN or resid 10 and name HN or resid 26 and name HN or resid 105 and name HN ) 4.1 0.8 0.8 volume=0.229 peak=413 ppm1=4.944 ppm2=8.315 assign ( resid 10 and name HA ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 92 and name HA or resid 106 and name HA ) 3.4 0.7 0.7 volume=0.639 peak=414 ppm1=4.934 ppm2=4.376 assign ( resid 14 and name HA ) ( resid 15 and name HD3 or resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.4 0.7 0.7 volume=0.739 peak=415 ppm1=4.368 ppm2=3.607 assign ( resid 14 and name HA ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 24 and name HA or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 87 and name HD2 or resid 88 and name HA ) 3.3 0.7 0.7 volume=0.865 peak=416 ppm1=4.369 ppm2=4.086 assign ( resid 14 and name HA ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 ) 3.6 0.7 0.7 volume=0.485 peak=417 ppm1=4.354 ppm2=2.450 assign ( resid 7 and name HA ) ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 2.8 0.6 0.6 volume=2.470 peak=418 ppm1=4.600 ppm2=2.647 assign ( resid 98 and name HA ) ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 71 and name HB3 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 2.6 0.5 0.5 volume=3.707 peak=419 ppm1=4.553 ppm2=2.661 assign ( resid 55 and name HA ) ( resid 12 and name HG or resid 22 and name HD1# or resid 40 and name HB3 or resid 55 and name HB# or resid 59 and name HG12 ) 2.8 0.6 0.6 volume=3.199 peak=420 ppm1=4.061 ppm2=1.343 assign ( resid 10 and name HA ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.7 0.7 0.7 volume=0.404 peak=421 ppm1=4.942 ppm2=1.963 assign ( resid 41 and name HA ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 89 and name HB or resid 102 and name HB3 ) 3.4 0.7 0.7 volume=0.654 peak=422 ppm1=5.069 ppm2=1.922 assign ( resid 10 and name HA ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 104 and name HB2 or resid 105 and name HB2 or resid 105 and name HB3 ) 3.6 0.7 0.7 volume=0.468 peak=423 ppm1=4.935 ppm2=1.794 assign ( resid 41 and name HA ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.5 0.7 0.7 volume=0.555 peak=424 ppm1=5.071 ppm2=1.788 assign ( resid 10 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.1 0.8 0.8 volume=0.655 peak=425 ppm1=4.941 ppm2=0.912 assign ( resid 10 and name HA ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 4.0 0.8 0.8 volume=0.254 peak=426 ppm1=4.924 ppm2=1.507 assign ( resid 8 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.8 0.8 0.8 volume=1.067 peak=427 ppm1=4.572 ppm2=0.917 assign ( resid 90 and name HA ) ( resid 8 and name HD2# or resid 9 and name HG2# or resid 9 and name HD1# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 97 and name HD2# or resid 107 and name HG1# ) 4.0 0.8 0.8 volume=0.836 peak=428 ppm1=4.413 ppm2=0.870 assign ( resid 79 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.3 0.7 0.7 volume=2.404 peak=429 ppm1=4.259 ppm2=0.886 assign ( resid 8 and name HA ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 45 and name HG2# or resid 79 and name HD2# or resid 90 and name HD2# or resid 92 and name HD2# or resid 97 and name HD2# ) 3.5 0.7 0.7 volume=1.756 peak=430 ppm1=4.583 ppm2=0.841 assign ( resid 90 and name HA ) ( resid 21 and name HD2# or resid 42 and name HG3 or resid 60 and name HD1# or resid 90 and name HD1# ) 3.3 0.7 0.7 volume=1.594 peak=431 ppm1=4.392 ppm2=0.753 assign ( resid 8 and name HA ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB2 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.3 0.7 0.7 volume=0.877 peak=432 ppm1=4.577 ppm2=1.693 assign ( resid 8 and name HA ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.3 0.7 0.7 volume=0.867 peak=433 ppm1=4.579 ppm2=1.467 assign ( resid 79 and name HA ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.1 0.6 0.6 volume=1.231 peak=434 ppm1=4.264 ppm2=1.760 assign ( resid 90 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.6 0.7 0.7 volume=0.536 peak=435 ppm1=4.414 ppm2=1.594 assign ( resid 14 and name HA or resid 90 and name HA ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 44 and name HG3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.5 0.7 0.7 volume=0.571 peak=436 ppm1=4.395 ppm2=1.435 assign ( resid 14 and name HA ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.3 0.7 0.7 volume=0.846 peak=437 ppm1=4.376 ppm2=2.139 assign ( resid 14 and name HA ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 3.5 0.7 0.7 volume=0.602 peak=438 ppm1=4.366 ppm2=1.996 assign ( resid 82 and name HA ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 104 and name HB2 or resid 106 and name HB2 ) 3.4 0.7 0.7 volume=0.712 peak=439 ppm1=3.258 ppm2=1.858 assign ( resid 82 and name HA ) ( resid 3 and name HG2 or resid 8 and name HG or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 ) 3.4 0.7 0.7 volume=0.747 peak=440 ppm1=3.251 ppm2=1.609 assign ( resid 44 and name HA ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# or resid 97 and name HD2# ) 4.5 0.9 0.9 volume=0.277 peak=441 ppm1=5.138 ppm2=0.806 assign ( resid 44 and name HA ) ( resid 12 and name HD1# or resid 45 and name HG1# ) 4.6 0.9 0.9 volume=0.348 peak=442 ppm1=5.138 ppm2=0.639 assign ( resid 44 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.6 0.7 0.7 volume=0.491 peak=443 ppm1=5.154 ppm2=1.595 assign ( resid 44 and name HA ) ( resid 19 and name HA or resid 71 and name HA ) 3.5 0.7 0.7 volume=0.578 peak=444 ppm1=5.145 ppm2=5.004 assign ( resid 82 and name HA ) ( resid 22 and name HN or resid 82 and name HN ) 3.7 0.7 0.7 volume=0.398 peak=445 ppm1=3.275 ppm2=9.265 assign ( resid 14 and name HA ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.7 0.7 0.7 volume=0.443 peak=446 ppm1=4.378 ppm2=8.376 assign ( resid 44 and name HA ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.3 0.7 0.7 volume=0.760 peak=447 ppm1=5.133 ppm2=8.141 assign ( resid 21 and name HA ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 60 and name HG12 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.6 0.7 0.7 volume=0.461 peak=448 ppm1=5.260 ppm2=1.519 assign ( resid 21 and name HA ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 3.9 0.8 0.8 volume=0.918 peak=449 ppm1=5.250 ppm2=0.604 assign ( resid 21 and name HA ) ( resid 21 and name HB3 or resid 22 and name HD2# or resid 29 and name HB3 or resid 59 and name HG2# or resid 65 and name HG1# or resid 70 and name HB# ) 4.3 0.9 0.9 volume=0.292 peak=450 ppm1=5.260 ppm2=1.041 assign ( resid 21 and name HA ) ( resid 2 and name HA or resid 34 and name HA or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.7 0.7 0.7 volume=0.401 peak=451 ppm1=5.249 ppm2=4.532 assign ( resid 21 and name HA ) ( resid 22 and name HN or resid 72 and name HN ) 3.5 0.7 0.7 volume=0.621 peak=452 ppm1=5.240 ppm2=9.299 assign ( resid 21 and name HA ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 54 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.8 0.8 0.8 volume=0.363 peak=453 ppm1=5.243 ppm2=8.491 assign ( resid 21 and name HA ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.9 0.8 0.8 volume=0.328 peak=454 ppm1=5.251 ppm2=8.219 assign ( resid 22 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.8 0.8 0.8 volume=0.336 peak=455 ppm1=6.038 ppm2=1.576 assign ( resid 22 and name HA ) ( resid 21 and name HB3 or resid 22 and name HD2# or resid 29 and name HB3 or resid 40 and name HD3 or resid 59 and name HG2# or resid 65 and name HG1# or resid 70 and name HB# ) 3.9 0.8 0.8 volume=0.532 peak=456 ppm1=6.032 ppm2=1.046 assign ( resid 91 and name HA ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 91 and name HB3 ) 3.2 0.6 0.6 volume=1.059 peak=457 ppm1=4.837 ppm2=2.745 assign ( resid 91 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.6 0.7 0.7 volume=0.481 peak=458 ppm1=4.833 ppm2=1.594 assign ( resid 91 and name HA ) ( resid 8 and name HD2# or resid 9 and name HG2# or resid 9 and name HD1# or resid 63 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# or resid 92 and name HD2# or resid 97 and name HD2# ) 4.1 0.8 0.8 volume=0.645 peak=459 ppm1=4.833 ppm2=0.848 assign ( resid 22 and name HA ) ( resid 3 and name HA or resid 5 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 32 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 102 and name HA or resid 103 and name HA ) 4.0 0.8 0.8 volume=0.245 peak=460 ppm1=6.012 ppm2=4.251 assign ( resid 22 and name HA ) ( resid 23 and name HN or resid 73 and name HN ) 3.4 0.7 0.7 volume=0.647 peak=461 ppm1=6.037 ppm2=9.609 assign ( resid 22 and name HA ) ( resid 22 and name HN or resid 72 and name HN ) 4.1 0.8 0.8 volume=0.240 peak=462 ppm1=6.036 ppm2=9.303 assign ( resid 22 and name HA ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 4.1 0.8 0.8 volume=0.233 peak=463 ppm1=6.033 ppm2=8.891 assign ( resid 68 and name HA ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) 3.7 0.7 0.7 volume=0.453 peak=464 ppm1=5.194 ppm2=2.951 assign ( resid 68 and name HA ) ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 3.5 0.7 0.7 volume=0.551 peak=465 ppm1=5.194 ppm2=2.673 assign ( resid 68 and name HA ) ( resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB2 or resid 102 and name HG2 or resid 102 and name HG3 ) 3.8 0.8 0.8 volume=0.375 peak=466 ppm1=5.183 ppm2=2.183 assign ( resid 68 and name HA ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.4 0.9 0.9 volume=0.473 peak=467 ppm1=5.185 ppm2=0.914 assign ( resid 68 and name HA ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 59 and name HD1# ) 4.5 0.9 0.9 volume=0.366 peak=468 ppm1=5.200 ppm2=0.599 assign ( resid 15 and name HD2 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 57 and name HB3 or resid 69 and name HB2 ) 4.1 0.8 0.8 volume=0.229 peak=469 ppm1=4.098 ppm2=2.466 assign ( resid 15 and name HD3 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 ) 3.7 0.7 0.7 volume=0.411 peak=470 ppm1=3.602 ppm2=2.456 assign ( resid 15 and name HD2 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.6 0.7 0.7 volume=0.541 peak=471 ppm1=4.065 ppm2=2.157 assign ( resid 15 and name HD3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.5 0.7 0.7 volume=0.663 peak=472 ppm1=3.610 ppm2=2.150 assign ( resid 15 and name HD2 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.8 0.8 0.8 volume=0.355 peak=473 ppm1=4.070 ppm2=1.989 assign ( resid 15 and name HD3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 3.7 0.7 0.7 volume=0.395 peak=474 ppm1=3.599 ppm2=1.992 assign ( resid 15 and name HD3 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 104 and name HB2 or resid 106 and name HB2 ) 3.9 0.8 0.8 volume=0.322 peak=475 ppm1=3.576 ppm2=1.855 assign ( resid 15 and name HD2 ) ( resid 3 and name HG2 or resid 8 and name HG or resid 15 and name HG3 or resid 25 and name HG2 or resid 31 and name HG3 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 79 and name HB3 or resid 82 and name HB3 or resid 83 and name HB3 or resid 92 and name HG or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 ) 3.8 0.8 0.8 volume=0.368 peak=476 ppm1=4.083 ppm2=1.629 assign ( resid 15 and name HD3 ) ( resid 8 and name HG or resid 15 and name HG3 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 79 and name HB3 or resid 83 and name HB3 or resid 92 and name HB2 or resid 97 and name HB2 or resid 99 and name HB3 ) 3.7 0.7 0.7 volume=0.394 peak=477 ppm1=3.605 ppm2=1.641 assign ( resid 15 and name HD2 ) ( resid 73 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 4.0 0.8 0.8 volume=0.255 peak=478 ppm1=4.074 ppm2=3.399 assign ( resid 15 and name HD3 ) ( resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 or resid 58 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.8 0.8 0.8 volume=0.370 peak=479 ppm1=3.587 ppm2=3.344 assign ( resid 15 and name HD2 ) ( resid 15 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.1 0.6 0.6 volume=1.107 peak=480 ppm1=4.079 ppm2=3.598 assign ( resid 15 and name HD3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.2 0.6 0.6 volume=0.948 peak=481 ppm1=3.605 ppm2=4.083 assign ( resid 15 and name HD2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 92 and name HA or resid 106 and name HA ) 3.2 0.6 0.6 volume=0.972 peak=482 ppm1=4.087 ppm2=4.373 assign ( resid 15 and name HD3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 92 and name HA or resid 106 and name HA ) 3.1 0.6 0.6 volume=1.290 peak=483 ppm1=3.589 ppm2=4.375 assign ( resid 68 and name HA ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 54 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.0 0.6 0.6 volume=1.388 peak=484 ppm1=5.200 ppm2=8.490 assign ( resid 68 and name HA ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.5 0.7 0.7 volume=0.587 peak=485 ppm1=5.187 ppm2=8.186 assign ( resid 64 and name HA ) ( resid 13 and name HN or resid 18 and name HN or resid 32 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.0 0.6 0.6 volume=1.615 peak=486 ppm1=5.047 ppm2=8.586 assign ( resid 64 and name HA ) ( resid 4 and name HD2 or resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 95 and name HD21 ) 3.9 0.8 0.8 volume=0.368 peak=487 ppm1=5.057 ppm2=6.919 assign ( resid 64 and name HA ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 3.4 0.7 0.7 volume=0.717 peak=488 ppm1=5.045 ppm2=2.865 assign ( resid 64 and name HA ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.8 0.8 0.8 volume=0.347 peak=489 ppm1=5.057 ppm2=2.002 assign ( resid 64 and name HA ) ( resid 21 and name HB3 or resid 22 and name HD2# or resid 29 and name HB3 or resid 40 and name HD3 or resid 59 and name HG2# or resid 65 and name HG1# or resid 70 and name HB# ) 4.2 0.8 0.8 volume=0.324 peak=490 ppm1=5.066 ppm2=1.049 assign ( resid 64 and name HA ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HG2# or resid 107 and name HG2# ) 4.8 1.0 1.0 volume=0.242 peak=491 ppm1=5.053 ppm2=0.948 assign ( resid 87 and name HD3 ) ( resid 12 and name HB2 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.8 0.8 0.8 volume=0.364 peak=492 ppm1=3.722 ppm2=2.019 assign ( resid 39 and name HD2 or resid 39 and name HD3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.8 0.8 0.8 volume=0.374 peak=493 ppm1=3.647 ppm2=2.002 assign ( resid 39 and name HD2 or resid 39 and name HD3 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.1 0.6 0.6 volume=1.251 peak=494 ppm1=3.642 ppm2=1.772 assign ( resid 31 and name HD3 ) ( resid 8 and name HB2 or resid 12 and name HB3 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 103 and name HB3 or resid 104 and name HD2 or resid 104 and name HD3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 or resid 106 and name HB3 ) 3.7 0.7 0.7 volume=0.423 peak=495 ppm1=3.944 ppm2=1.722 assign ( resid 31 and name HD3 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.9 0.8 0.8 volume=0.325 peak=496 ppm1=3.942 ppm2=1.590 assign ( resid 31 and name HD2 or resid 87 and name HD2 ) ( resid 3 and name HB3 or resid 8 and name HB2 or resid 12 and name HB3 or resid 22 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 103 and name HB3 or resid 104 and name HD2 or resid 104 and name HD3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 or resid 106 and name HB3 ) 4.2 0.8 0.8 volume=0.186 peak=497 ppm1=4.100 ppm2=1.729 assign ( resid 31 and name HD3 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 5 and name HB2 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 or resid 106 and name HB2 ) 4.1 0.8 0.8 volume=0.211 peak=498 ppm1=3.937 ppm2=1.889 assign ( resid 31 and name HD2 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 4.3 0.9 0.9 volume=0.174 peak=499 ppm1=4.089 ppm2=1.574 assign ( resid 87 and name HD2 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.9 0.8 0.8 volume=0.315 peak=500 ppm1=4.120 ppm2=2.151 assign ( resid 31 and name HD2 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 5 and name HB2 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 or resid 106 and name HB2 ) 3.9 0.8 0.8 volume=0.301 peak=501 ppm1=4.088 ppm2=1.888 assign ( resid 31 and name HD3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 78 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 107 and name HB ) 4.1 0.8 0.8 volume=0.234 peak=502 ppm1=3.933 ppm2=2.125 assign ( resid 39 and name HD2 or resid 39 and name HD3 ) ( resid 9 and name HG13 or resid 19 and name HG2# or resid 39 and name HB3 or resid 42 and name HG2 ) 3.9 0.8 0.8 volume=0.379 peak=503 ppm1=3.631 ppm2=1.144 assign ( resid 70 and name HA ) ( resid 22 and name HD1# or resid 40 and name HB3 or resid 55 and name HB# ) 3.8 0.8 0.8 volume=0.607 peak=504 ppm1=4.514 ppm2=1.361 assign ( resid 70 and name HA ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 3.6 0.7 0.7 volume=1.000 peak=505 ppm1=4.525 ppm2=1.030 assign ( resid 87 and name HD3 ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# or resid 97 and name HD2# ) 4.5 0.9 0.9 volume=0.294 peak=506 ppm1=3.716 ppm2=0.807 assign ( resid 87 and name HD3 ) ( resid 43 and name HG1# ) 4.6 0.9 0.9 volume=0.325 peak=507 ppm1=3.721 ppm2=0.448 assign ( resid 87 and name HD2 ) ( resid 12 and name HA or resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 3.4 0.7 0.7 volume=0.652 peak=508 ppm1=4.143 ppm2=3.725 assign ( resid 87 and name HD3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 94 and name HA or resid 106 and name HA ) 3.6 0.7 0.7 volume=0.532 peak=509 ppm1=3.719 ppm2=4.381 assign ( resid 39 and name HD2 or resid 39 and name HD3 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.0 0.6 0.6 volume=1.447 peak=510 ppm1=3.651 ppm2=4.286 assign ( resid 87 and name HD3 ) ( resid 24 and name HA or resid 31 and name HD2 or resid 52 and name HA2 or resid 80 and name HA2 or resid 87 and name HD2 ) 3.6 0.7 0.7 volume=0.529 peak=511 ppm1=3.723 ppm2=4.128 assign ( resid 31 and name HD3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 24 and name HA or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 52 and name HA2 or resid 55 and name HA or resid 80 and name HA2 or resid 87 and name HD2 ) 3.2 0.6 0.6 volume=0.971 peak=512 ppm1=3.936 ppm2=4.099 assign ( resid 31 and name HD2 ) ( resid 2 and name HB2 or resid 31 and name HD3 or resid 49 and name HA or resid 80 and name HA1 or resid 93 and name HA2 or resid 93 and name HA1 ) 3.1 0.6 0.6 volume=1.101 peak=513 ppm1=4.090 ppm2=3.953 assign ( resid 87 and name HD2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 92 and name HA or resid 106 and name HA ) 3.7 0.7 0.7 volume=0.426 peak=514 ppm1=4.126 ppm2=4.375 assign ( resid 31 and name HD2 ) ( resid 21 and name HA or resid 30 and name HA or resid 45 and name HA or resid 68 and name HA ) 3.4 0.7 0.7 volume=0.722 peak=515 ppm1=4.094 ppm2=5.230 assign ( resid 31 and name HD3 ) ( resid 21 and name HA or resid 30 and name HA or resid 68 and name HA ) 3.4 0.7 0.7 volume=0.663 peak=516 ppm1=3.948 ppm2=5.218 assign ( resid 70 and name HA ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 3.3 0.7 0.7 volume=0.843 peak=517 ppm1=4.518 ppm2=8.879 assign ( resid 39 and name HD2 or resid 39 and name HD3 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.7 0.7 0.7 volume=0.407 peak=518 ppm1=3.630 ppm2=8.459 assign ( resid 87 and name HD2 ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 4.1 0.8 0.8 volume=0.238 peak=519 ppm1=4.129 ppm2=1.975 assign ( resid 87 and name HD2 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 44 and name HG3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.9 0.8 0.8 volume=0.292 peak=520 ppm1=4.128 ppm2=1.430 assign ( resid 87 and name HD3 ) ( resid 8 and name HB3 or resid 29 and name HD3 or resid 44 and name HG3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 4.0 0.8 0.8 volume=0.254 peak=521 ppm1=3.724 ppm2=1.428 assign ( resid 70 and name HA ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.9 0.8 0.8 volume=0.306 peak=522 ppm1=4.516 ppm2=1.590 assign ( resid 21 and name HB2 ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 3.7 0.7 0.7 volume=0.539 peak=523 ppm1=1.587 ppm2=1.107 assign ( resid 21 and name HB2 ) ( resid 21 and name HD2# or resid 90 and name HD1# ) 4.2 0.8 0.8 volume=0.547 peak=524 ppm1=1.595 ppm2=0.737 assign ( resid 21 and name HB2 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.7 0.9 0.9 volume=0.281 peak=525 ppm1=1.573 ppm2=0.603 assign ( resid 21 and name HB3 ) ( resid 21 and name HD2# or resid 90 and name HD1# ) 4.4 0.9 0.9 volume=0.457 peak=526 ppm1=1.082 ppm2=0.734 assign ( resid 21 and name HB3 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.3 0.9 0.9 volume=0.519 peak=527 ppm1=1.093 ppm2=0.603 assign ( resid 21 and name HB3 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.5 0.7 0.7 volume=0.547 peak=528 ppm1=1.091 ppm2=1.566 assign ( resid 21 and name HB3 ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 88 and name HD3 ) 4.0 0.8 0.8 volume=0.261 peak=529 ppm1=1.098 ppm2=3.501 assign ( resid 21 and name HB2 ) ( resid 21 and name HA or resid 30 and name HA or resid 45 and name HA ) 4.0 0.8 0.8 volume=0.258 peak=530 ppm1=1.590 ppm2=5.256 assign ( resid 21 and name HB3 ) ( resid 21 and name HA or resid 45 and name HA ) 3.8 0.8 0.8 volume=0.342 peak=531 ppm1=1.095 ppm2=5.269 assign ( resid 21 and name HB2 ) ( resid 9 and name HN or resid 21 and name HN or resid 34 and name HN or resid 54 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.8 0.8 0.8 volume=0.338 peak=532 ppm1=1.567 ppm2=8.502 assign ( resid 21 and name HB3 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 4.0 0.8 0.8 volume=0.253 peak=533 ppm1=1.086 ppm2=8.486 assign ( resid 80 and name HA2 ) ( resid 25 and name HN or resid 38 and name HN or resid 63 and name HN or resid 81 and name HN ) 3.9 0.8 0.8 volume=0.302 peak=534 ppm1=4.097 ppm2=8.438 assign ( resid 80 and name HA1 ) ( resid 25 and name HN or resid 38 and name HN or resid 48 and name HN or resid 63 and name HN or resid 81 and name HN ) 3.9 0.8 0.8 volume=0.313 peak=535 ppm1=3.978 ppm2=8.433 assign ( resid 80 and name HA1 ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN or resid 107 and name HN ) 3.3 0.7 0.7 volume=0.770 peak=536 ppm1=3.994 ppm2=7.721 assign ( resid 80 and name HA2 ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN or resid 107 and name HN ) 3.3 0.7 0.7 volume=0.798 peak=537 ppm1=4.106 ppm2=7.725 assign ( resid 80 and name HA2 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 4.1 0.8 0.8 volume=0.239 peak=538 ppm1=4.086 ppm2=1.597 assign ( resid 80 and name HA1 ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 4.0 0.8 0.8 volume=0.274 peak=539 ppm1=3.973 ppm2=1.511 assign ( resid 93 and name HA1 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.3 0.9 0.9 volume=0.540 peak=540 ppm1=3.934 ppm2=0.910 assign ( resid 22 and name HB2 or resid 63 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.5 0.7 0.7 volume=1.705 peak=541 ppm1=1.748 ppm2=0.916 assign ( resid 63 and name HB3 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.4 0.7 0.7 volume=1.917 peak=542 ppm1=1.615 ppm2=0.915 assign ( resid 22 and name HB3 ) ( resid 21 and name HB3 or resid 22 and name HD2# or resid 29 and name HB3 or resid 40 and name HD3 or resid 59 and name HG2# or resid 65 and name HG1# or resid 70 and name HB# ) 4.0 0.8 0.8 volume=0.417 peak=543 ppm1=1.509 ppm2=1.049 assign ( resid 22 and name HB2 or resid 63 and name HB2 ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 59 and name HG2# or resid 65 and name HG1# or resid 70 and name HB# ) 4.1 0.8 0.8 volume=0.515 peak=544 ppm1=1.745 ppm2=1.035 assign ( resid 22 and name HB2 ) ( resid 22 and name HD1# or resid 40 and name HB3 or resid 55 and name HB# ) 4.1 0.8 0.8 volume=0.401 peak=545 ppm1=1.758 ppm2=1.362 assign ( resid 22 and name HB3 ) ( resid 22 and name HD1# or resid 40 and name HB3 or resid 55 and name HB# ) 4.0 0.8 0.8 volume=0.450 peak=546 ppm1=1.525 ppm2=1.358 assign ( resid 22 and name HB2 ) ( resid 13 and name HG3 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HB2 or resid 99 and name HG2 or resid 99 and name HG3 ) 3.8 0.8 0.8 volume=0.376 peak=547 ppm1=1.746 ppm2=1.534 assign ( resid 22 and name HB3 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.6 0.7 0.7 volume=0.482 peak=548 ppm1=1.517 ppm2=1.760 assign ( resid 66 and name HA1 ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 4.1 0.8 0.8 volume=0.282 peak=549 ppm1=3.186 ppm2=1.098 assign ( resid 20 and name HA1 ) ( resid 21 and name HB3 or resid 22 and name HD2# or resid 29 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# or resid 65 and name HG1# ) 3.9 0.8 0.8 volume=0.459 peak=550 ppm1=2.931 ppm2=1.078 assign ( resid 66 and name HA2 ) ( resid 21 and name HB3 or resid 22 and name HD2# or resid 29 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# or resid 65 and name HG1# ) 4.3 0.9 0.9 volume=0.271 peak=551 ppm1=3.478 ppm2=1.062 assign ( resid 66 and name HA2 ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.5 0.9 0.9 volume=0.384 peak=552 ppm1=3.474 ppm2=0.924 assign ( resid 20 and name HA1 ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 4.2 0.8 0.8 volume=0.404 peak=553 ppm1=2.940 ppm2=0.803 assign ( resid 66 and name HA1 ) ( resid 21 and name HD2# or resid 90 and name HD1# ) 4.3 0.9 0.9 volume=0.477 peak=554 ppm1=3.197 ppm2=0.732 assign ( resid 66 and name HA2 ) ( resid 21 and name HD2# or resid 90 and name HD1# ) 4.8 1.0 1.0 volume=0.277 peak=555 ppm1=3.484 ppm2=0.730 assign ( resid 20 and name HA1 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.4 0.9 0.9 volume=0.415 peak=556 ppm1=2.923 ppm2=0.606 assign ( resid 66 and name HA1 ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HG2# or resid 107 and name HG2# ) 5.0 1.0 1.0 volume=0.190 peak=557 ppm1=3.208 ppm2=0.947 assign ( resid 20 and name HA2 ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# or resid 97 and name HD2# ) 4.3 0.9 0.9 volume=0.388 peak=558 ppm1=4.255 ppm2=0.806 assign ( resid 20 and name HA2 ) ( resid 21 and name HB3 or resid 22 and name HD2# or resid 29 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 59 and name HG2# or resid 65 and name HG1# ) 3.9 0.8 0.8 volume=0.475 peak=559 ppm1=4.262 ppm2=1.059 assign ( resid 66 and name HA2 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 4.0 0.8 0.8 volume=0.243 peak=560 ppm1=3.460 ppm2=1.567 assign ( resid 66 and name HA1 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 4.0 0.8 0.8 volume=0.277 peak=561 ppm1=3.204 ppm2=1.591 assign ( resid 20 and name HA1 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.3 0.7 0.7 volume=0.891 peak=562 ppm1=2.922 ppm2=4.263 assign ( resid 66 and name HA2 ) ( resid 23 and name HA or resid 30 and name HA or resid 44 and name HA or resid 68 and name HA ) 3.8 0.8 0.8 volume=0.361 peak=563 ppm1=3.468 ppm2=5.187 assign ( resid 28 and name HA1 ) ( resid 8 and name HN or resid 28 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 3.5 0.7 0.7 volume=0.575 peak=564 ppm1=4.444 ppm2=7.918 assign ( resid 28 and name HA1 ) ( resid 29 and name HN or resid 54 and name HE22 or resid 74 and name HZ2 or resid 84 and name HN or resid 91 and name HD21 ) 3.9 0.8 0.8 volume=0.300 peak=565 ppm1=4.437 ppm2=7.543 assign ( resid 28 and name HA1 ) ( resid 27 and name HN or resid 36 and name HD# ) 4.2 0.8 0.8 volume=0.255 peak=566 ppm1=4.438 ppm2=7.155 assign ( resid 28 and name HA1 ) ( resid 4 and name HD2 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 72 and name HE# or resid 95 and name HD21 ) 4.2 0.8 0.8 volume=0.234 peak=567 ppm1=4.429 ppm2=6.891 assign ( resid 28 and name HA2 ) ( resid 8 and name HN or resid 28 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 3.4 0.7 0.7 volume=0.681 peak=568 ppm1=3.742 ppm2=7.918 assign ( resid 28 and name HA2 ) ( resid 29 and name HN or resid 54 and name HE22 or resid 74 and name HZ2 or resid 84 and name HN or resid 91 and name HD21 ) 3.8 0.8 0.8 volume=0.345 peak=569 ppm1=3.736 ppm2=7.548 assign ( resid 66 and name HA2 ) ( resid 66 and name HN or resid 74 and name HN ) 3.7 0.7 0.7 volume=0.445 peak=570 ppm1=3.473 ppm2=9.074 assign ( resid 66 and name HA2 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.5 0.7 0.7 volume=0.539 peak=571 ppm1=3.468 ppm2=8.484 assign ( resid 66 and name HA2 ) ( resid 6 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.7 0.7 0.7 volume=0.413 peak=572 ppm1=3.466 ppm2=8.179 assign ( resid 66 and name HA1 ) ( resid 66 and name HN or resid 74 and name HN ) 3.6 0.7 0.7 volume=0.471 peak=573 ppm1=3.208 ppm2=9.063 assign ( resid 66 and name HA1 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.6 0.7 0.7 volume=0.494 peak=574 ppm1=3.199 ppm2=8.479 assign ( resid 20 and name HA2 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 54 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.4 0.7 0.7 volume=0.674 peak=575 ppm1=4.257 ppm2=8.491 assign ( resid 20 and name HA2 ) ( resid 8 and name HN or resid 20 and name HN or resid 64 and name HD21 or resid 101 and name HN ) 3.8 0.8 0.8 volume=0.383 peak=576 ppm1=4.248 ppm2=7.973 assign ( resid 20 and name HA1 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 54 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.7 0.7 0.7 volume=0.400 peak=577 ppm1=2.950 ppm2=8.489 assign ( resid 20 and name HA1 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 54 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.6 0.7 0.7 volume=0.495 peak=578 ppm1=2.915 ppm2=8.491 assign ( resid 20 and name HA1 ) ( resid 20 and name HN or resid 30 and name HN or resid 64 and name HD21 or resid 101 and name HN ) 3.9 0.8 0.8 volume=0.321 peak=579 ppm1=2.931 ppm2=7.985 assign ( resid 63 and name HB3 ) ( resid 14 and name HN or resid 25 and name HN or resid 48 and name HN or resid 63 and name HN or resid 81 and name HN or resid 106 and name HN ) 3.4 0.7 0.7 volume=0.712 peak=580 ppm1=1.623 ppm2=8.407 assign ( resid 63 and name HB2 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.2 0.6 0.6 volume=0.914 peak=581 ppm1=1.748 ppm2=8.398 assign ( resid 22 and name HB2 or resid 63 and name HB2 ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.9 0.8 0.8 volume=0.299 peak=582 ppm1=1.777 ppm2=8.230 assign ( resid 63 and name HB3 ) ( resid 4 and name HD2 or resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 95 and name HD21 ) 4.1 0.8 0.8 volume=0.261 peak=583 ppm1=1.608 ppm2=6.921 assign ( resid 63 and name HB2 ) ( resid 4 and name HD2 or resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 95 and name HD21 ) 3.8 0.8 0.8 volume=0.462 peak=584 ppm1=1.753 ppm2=6.915 assign ( resid 63 and name HB3 ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 69 and name HA or resid 70 and name HA or resid 84 and name HA ) 3.3 0.7 0.7 volume=0.800 peak=585 ppm1=1.612 ppm2=4.491 assign ( resid 63 and name HB2 ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 3.2 0.6 0.6 volume=0.986 peak=586 ppm1=1.753 ppm2=4.479 assign ( resid 28 and name HA2 ) ( resid 28 and name HA1 or resid 63 and name HA or resid 67 and name HA or resid 75 and name HA or resid 84 and name HA or resid 90 and name HA or resid 94 and name HA ) 4.0 0.8 0.8 volume=0.269 peak=587 ppm1=3.733 ppm2=4.436 assign ( resid 28 and name HA1 ) ( resid 12 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 3.0 0.6 0.6 volume=1.528 peak=588 ppm1=4.434 ppm2=3.746 assign ( resid 66 and name HA1 ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.5 0.7 0.7 volume=0.574 peak=589 ppm1=3.188 ppm2=3.473 assign ( resid 66 and name HA2 ) ( resid 6 and name HB2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 ) 3.5 0.7 0.7 volume=0.561 peak=590 ppm1=3.483 ppm2=3.209 assign ( resid 20 and name HA2 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.6 0.9 0.9 volume=0.340 peak=591 ppm1=4.240 ppm2=0.601 assign ( resid 20 and name HA2 ) ( resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 83 and name HE3 or resid 83 and name HE2 ) 3.4 0.7 0.7 volume=0.708 peak=592 ppm1=4.262 ppm2=2.932 assign ( resid 52 and name HA2 ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 101 and name HE# or resid 101 and name HZ ) 4.0 0.8 0.8 volume=0.349 peak=593 ppm1=4.138 ppm2=7.331 assign ( resid 52 and name HA1 ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 101 and name HE# or resid 101 and name HZ ) 4.2 0.8 0.8 volume=0.249 peak=594 ppm1=3.855 ppm2=7.338 assign ( resid 63 and name HB3 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 31 and name HG2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 2.6 0.5 0.5 volume=3.474 peak=595 ppm1=1.621 ppm2=1.750 assign ( resid 16 and name HA1 ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG1# ) 4.3 0.9 0.9 volume=0.403 peak=596 ppm1=3.838 ppm2=0.958 assign ( resid 16 and name HA2 ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 107 and name HG2# ) 4.1 0.8 0.8 volume=0.533 peak=597 ppm1=4.583 ppm2=0.957 assign ( resid 52 and name HA2 ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 13 and name HE3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.8 0.8 0.8 volume=0.359 peak=598 ppm1=4.131 ppm2=3.024 assign ( resid 16 and name HA2 ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 11 and name HA or resid 16 and name HA1 or resid 74 and name HA or resid 78 and name HA or resid 94 and name HB2 ) 3.0 0.6 0.6 volume=1.338 peak=599 ppm1=4.565 ppm2=3.826 assign ( resid 52 and name HA2 ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 16 and name HA1 or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB3 or resid 94 and name HB2 ) 3.0 0.6 0.6 volume=1.362 peak=600 ppm1=4.123 ppm2=3.865 assign ( resid 52 and name HA1 ) ( resid 24 and name HA or resid 31 and name HD2 or resid 52 and name HA2 or resid 80 and name HA2 or resid 87 and name HD2 ) 3.0 0.6 0.6 volume=1.546 peak=601 ppm1=3.863 ppm2=4.130 assign ( resid 16 and name HA1 ) ( resid 2 and name HA or resid 4 and name HA or resid 7 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.2 0.6 0.6 volume=1.081 peak=602 ppm1=3.817 ppm2=4.580 assign ( resid 16 and name HA1 ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.4 0.7 0.7 volume=0.655 peak=603 ppm1=3.838 ppm2=8.237 assign ( resid 16 and name HA2 ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.4 0.7 0.7 volume=0.671 peak=604 ppm1=4.575 ppm2=8.236 assign ( resid 38 and name HD2 ) ( resid 11 and name HB3 or resid 29 and name HE3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 64 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 2.4 0.5 0.5 volume=5.120 peak=605 ppm1=2.873 ppm2=2.772 assign ( resid 38 and name HD3 ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 2.4 0.5 0.5 volume=5.131 peak=606 ppm1=2.765 ppm2=2.884 assign ( resid 38 and name HD2 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 5 and name HB2 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) 3.2 0.6 0.6 volume=0.992 peak=607 ppm1=2.878 ppm2=1.899 assign ( resid 38 and name HD3 ) ( resid 5 and name HB2 or resid 13 and name HG2 or resid 13 and name HD2 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) 3.3 0.7 0.7 volume=0.826 peak=608 ppm1=2.764 ppm2=1.906 assign ( resid 38 and name HD2 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB2 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.0 0.6 0.6 volume=1.581 peak=609 ppm1=2.872 ppm2=1.693 assign ( resid 38 and name HD3 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB2 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.1 0.6 0.6 volume=1.276 peak=610 ppm1=2.769 ppm2=1.690 assign ( resid 41 and name HD2 or resid 41 and name HD3 ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 89 and name HB or resid 102 and name HB3 ) 3.0 0.6 0.6 volume=1.512 peak=611 ppm1=3.308 ppm2=1.919 assign ( resid 3 and name HD3 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.5 0.7 0.7 volume=1.854 peak=612 ppm1=3.153 ppm2=0.909 assign ( resid 79 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.9 0.8 0.8 volume=0.884 peak=613 ppm1=1.748 ppm2=0.912 assign ( resid 85 and name HA2 ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.3 0.7 0.7 volume=0.803 peak=614 ppm1=4.310 ppm2=3.377 assign ( resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA or resid 106 and name HA ) 3.1 0.6 0.6 volume=1.113 peak=615 ppm1=3.373 ppm2=4.321 assign ( resid 3 and name HD3 or resid 44 and name HD2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.8 0.6 0.6 volume=2.403 peak=616 ppm1=3.149 ppm2=4.265 assign ( resid 78 and name HD3 ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 2.9 0.6 0.6 volume=1.665 peak=617 ppm1=3.050 ppm2=3.375 assign ( resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 4 and name HB3 or resid 13 and name HE3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 2.8 0.6 0.6 volume=2.113 peak=618 ppm1=3.378 ppm2=3.032 assign ( resid 78 and name HD3 ) ( resid 8 and name HG or resid 15 and name HG3 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 79 and name HB3 or resid 83 and name HB3 or resid 92 and name HB2 or resid 97 and name HB2 or resid 99 and name HB3 ) 3.2 0.6 0.6 volume=0.975 peak=619 ppm1=3.030 ppm2=1.641 assign ( resid 78 and name HD3 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.7 0.7 0.7 volume=0.441 peak=620 ppm1=3.036 ppm2=1.461 assign ( resid 3 and name HD3 or resid 44 and name HD2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 2.2 0.4 0.4 volume=9.458 peak=621 ppm1=3.145 ppm2=1.518 assign ( resid 3 and name HD3 or resid 44 and name HD2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) ( resid 3 and name HG2 or resid 8 and name HG or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 ) 2.4 0.5 0.5 volume=5.550 peak=622 ppm1=3.170 ppm2=1.613 assign ( resid 3 and name HD3 or resid 44 and name HD2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 31 and name HG2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 2.5 0.5 0.5 volume=4.535 peak=623 ppm1=3.150 ppm2=1.753 assign ( resid 3 and name HD3 or resid 96 and name HD2 or resid 96 and name HD3 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 5 and name HB2 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) 2.8 0.6 0.6 volume=2.399 peak=624 ppm1=3.173 ppm2=1.880 assign ( resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.3 0.7 0.7 volume=0.894 peak=625 ppm1=3.356 ppm2=1.977 assign ( resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.3 0.7 0.7 volume=0.862 peak=626 ppm1=3.389 ppm2=1.589 assign ( resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 104 and name HG3 or resid 104 and name HG2 ) 3.3 0.7 0.7 volume=0.817 peak=627 ppm1=3.381 ppm2=1.480 assign ( resid 41 and name HD2 or resid 41 and name HD3 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 104 and name HB2 or resid 105 and name HB2 or resid 105 and name HB3 ) 2.8 0.6 0.6 volume=2.411 peak=628 ppm1=3.307 ppm2=1.795 assign ( resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 47 and name HN or resid 86 and name HN ) 3.6 0.7 0.7 volume=0.478 peak=629 ppm1=3.370 ppm2=8.832 assign ( resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 48 and name HD21 or resid 85 and name HN or resid 88 and name HN or resid 107 and name HN ) 3.6 0.7 0.7 volume=0.496 peak=630 ppm1=3.362 ppm2=7.784 assign ( resid 85 and name HA2 ) ( resid 47 and name HN or resid 86 and name HN ) 3.7 0.7 0.7 volume=0.453 peak=631 ppm1=4.323 ppm2=8.836 assign ( resid 85 and name HA2 ) ( resid 48 and name HD21 or resid 85 and name HN or resid 88 and name HN or resid 107 and name HN ) 3.6 0.7 0.7 volume=0.493 peak=632 ppm1=4.299 ppm2=7.781 assign ( resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 3.9 0.8 0.8 volume=0.294 peak=633 ppm1=3.362 ppm2=7.633 assign ( resid 3 and name HD3 or resid 44 and name HD2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.9 0.8 0.8 volume=0.315 peak=634 ppm1=3.157 ppm2=8.124 assign ( resid 79 and name HB3 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 3.8 0.8 0.8 volume=0.340 peak=635 ppm1=1.677 ppm2=7.635 assign ( resid 79 and name HB2 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 3.7 0.7 0.7 volume=0.413 peak=636 ppm1=1.744 ppm2=7.639 assign ( resid 79 and name HB2 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 50 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.7 0.7 0.7 volume=0.450 peak=637 ppm1=1.758 ppm2=4.276 assign ( resid 79 and name HB3 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.5 0.7 0.7 volume=0.545 peak=638 ppm1=1.680 ppm2=4.267 assign ( resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.7 0.7 0.7 volume=0.438 peak=639 ppm1=3.367 ppm2=4.067 assign ( resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 88 and name HD3 ) 3.2 0.6 0.6 volume=0.979 peak=640 ppm1=3.366 ppm2=3.535 assign ( resid 88 and name HD3 ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.3 0.7 0.7 volume=0.836 peak=641 ppm1=3.534 ppm2=3.373 assign ( resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# or resid 65 and name HG1# ) 4.3 0.9 0.9 volume=0.237 peak=642 ppm1=3.362 ppm2=1.083 assign ( resid 88 and name HD3 ) ( resid 21 and name HB3 or resid 22 and name HD2# or resid 29 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# or resid 65 and name HG1# ) 4.4 0.9 0.9 volume=0.238 peak=643 ppm1=3.542 ppm2=1.077 assign ( resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.5 0.9 0.9 volume=0.404 peak=644 ppm1=3.372 ppm2=0.894 assign ( resid 88 and name HD3 ) ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 4.4 0.9 0.9 volume=0.265 peak=645 ppm1=3.521 ppm2=0.792 assign ( resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 21 and name HD2# or resid 42 and name HG3 or resid 60 and name HD1# or resid 90 and name HD1# ) 4.3 0.9 0.9 volume=0.343 peak=646 ppm1=3.360 ppm2=0.760 assign ( resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# ) 4.6 0.9 0.9 volume=0.321 peak=647 ppm1=3.366 ppm2=0.637 assign ( resid 85 and name HA2 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.3 0.9 0.9 volume=0.495 peak=648 ppm1=4.292 ppm2=0.636 assign ( resid 88 and name HD3 ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 4.0 0.8 0.8 volume=0.253 peak=649 ppm1=3.541 ppm2=1.512 assign ( resid 88 and name HD3 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 104 and name HG3 or resid 104 and name HG2 ) 3.6 0.7 0.7 volume=0.463 peak=650 ppm1=3.521 ppm2=1.480 assign ( resid 88 and name HD3 ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.5 0.7 0.7 volume=0.597 peak=651 ppm1=3.526 ppm2=1.972 assign ( resid 8 and name HB2 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 2.9 0.6 0.6 volume=1.721 peak=652 ppm1=1.694 ppm2=1.459 assign ( resid 8 and name HB3 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.4 0.7 0.7 volume=2.025 peak=653 ppm1=1.446 ppm2=0.914 assign ( resid 8 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.4 0.7 0.7 volume=2.128 peak=654 ppm1=1.695 ppm2=0.919 assign ( resid 90 and name HB2 or resid 92 and name HB3 or resid 92 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 2.9 0.6 0.6 volume=5.103 peak=655 ppm1=1.598 ppm2=0.895 assign ( resid 90 and name HB2 or resid 92 and name HB3 or resid 92 and name HB2 or resid 97 and name HB3 ) ( resid 21 and name HD2# or resid 42 and name HG3 or resid 60 and name HD1# or resid 90 and name HD1# ) 3.9 0.8 0.8 volume=0.582 peak=656 ppm1=1.578 ppm2=0.748 assign ( resid 8 and name HB3 or resid 90 and name HB3 ) ( resid 21 and name HD2# or resid 42 and name HG3 or resid 60 and name HD1# or resid 90 and name HD1# ) 4.0 0.8 0.8 volume=0.545 peak=657 ppm1=1.431 ppm2=0.754 assign ( resid 8 and name HB3 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB2 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 2.9 0.6 0.6 volume=1.739 peak=658 ppm1=1.455 ppm2=1.698 assign ( resid 13 and name HE3 ) ( resid 9 and name HB or resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 53 and name HB2 or resid 53 and name HB3 or resid 81 and name HD3 or resid 81 and name HD2 or resid 82 and name HB2 or resid 103 and name HB2 or resid 104 and name HB2 or resid 105 and name HB3 or resid 106 and name HB2 ) 3.4 0.7 0.7 volume=0.680 peak=659 ppm1=3.071 ppm2=1.816 assign ( resid 13 and name HE2 ) ( resid 5 and name HB2 or resid 10 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB3 ) 3.6 0.7 0.7 volume=0.508 peak=660 ppm1=3.176 ppm2=1.932 assign ( resid 13 and name HE3 ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 89 and name HB or resid 102 and name HB3 ) 2.9 0.6 0.6 volume=1.787 peak=661 ppm1=3.065 ppm2=1.923 assign ( resid 13 and name HE2 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 10 and name HB3 or resid 13 and name HB3 or resid 13 and name HD3 or resid 15 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 81 and name HD3 or resid 81 and name HD2 or resid 82 and name HB2 or resid 103 and name HB2 or resid 104 and name HB2 or resid 105 and name HB3 or resid 106 and name HB2 ) 3.8 0.8 0.8 volume=0.361 peak=662 ppm1=3.178 ppm2=1.827 assign ( resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 ) ( resid 3 and name HG2 or resid 8 and name HG or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 ) 2.3 0.5 0.5 volume=7.606 peak=663 ppm1=2.967 ppm2=1.621 assign ( resid 13 and name HE3 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.2 0.6 0.6 volume=1.051 peak=664 ppm1=3.069 ppm2=1.573 assign ( resid 13 and name HE2 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.0 0.6 0.6 volume=1.563 peak=665 ppm1=3.178 ppm2=1.575 assign ( resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 ) ( resid 27 and name HB3 or resid 33 and name HB3 or resid 34 and name HB3 or resid 57 and name HB3 ) 3.3 0.7 0.7 volume=0.837 peak=666 ppm1=2.944 ppm2=2.511 assign ( resid 90 and name HB2 or resid 92 and name HB3 or resid 92 and name HB2 or resid 97 and name HB3 ) ( resid 9 and name HA or resid 25 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 86 and name HA or resid 89 and name HA or resid 92 and name HA or resid 97 and name HA or resid 105 and name HA or resid 106 and name HA ) 2.8 0.6 0.6 volume=2.058 peak=667 ppm1=1.602 ppm2=4.334 assign ( resid 29 and name HE2 or resid 42 and name HE3 or resid 64 and name HB2 ) ( resid 41 and name HA or resid 64 and name HA or resid 73 and name HA ) 3.6 0.7 0.7 volume=0.482 peak=668 ppm1=2.864 ppm2=5.058 assign ( resid 27 and name HB3 ) ( resid 27 and name HN or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN ) 3.3 0.7 0.7 volume=0.777 peak=669 ppm1=2.501 ppm2=7.191 assign ( resid 42 and name HE3 or resid 64 and name HB2 ) ( resid 6 and name HE# or resid 55 and name HN or resid 71 and name HE# or resid 74 and name HD1 or resid 74 and name HH2 or resid 101 and name HZ ) 3.8 0.8 0.8 volume=0.403 peak=670 ppm1=2.876 ppm2=7.291 assign ( resid 71 and name HB3 ) ( resid 4 and name HD2 or resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HD# or resid 91 and name HD22 or resid 95 and name HD21 or resid 100 and name HD2 ) 4.1 0.8 0.8 volume=0.257 peak=671 ppm1=2.631 ppm2=6.940 assign ( resid 71 and name HB2 ) ( resid 4 and name HD2 or resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 91 and name HD22 or resid 95 and name HD21 ) 3.8 0.8 0.8 volume=0.446 peak=672 ppm1=2.854 ppm2=6.931 assign ( resid 29 and name HE3 or resid 64 and name HB3 ) ( resid 4 and name HD2 or resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 95 and name HD21 ) 3.8 0.8 0.8 volume=0.472 peak=673 ppm1=2.802 ppm2=6.916 assign ( resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 81 and name HE3 or resid 81 and name HE2 ) ( resid 27 and name HN or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 3.3 0.7 0.7 volume=0.990 peak=674 ppm1=2.960 ppm2=7.194 assign ( resid 90 and name HB2 or resid 92 and name HB3 or resid 92 and name HB2 or resid 97 and name HB3 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 3.6 0.7 0.7 volume=0.466 peak=675 ppm1=1.590 ppm2=8.877 assign ( resid 90 and name HB3 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 4.0 0.8 0.8 volume=0.260 peak=676 ppm1=1.404 ppm2=8.887 assign ( resid 8 and name HB3 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.8 0.8 0.8 volume=0.333 peak=677 ppm1=1.452 ppm2=8.555 assign ( resid 8 and name HB2 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.8 0.8 0.8 volume=0.357 peak=678 ppm1=1.701 ppm2=8.540 assign ( resid 90 and name HB2 or resid 92 and name HB3 or resid 92 and name HB2 ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.6 0.7 0.7 volume=0.477 peak=679 ppm1=1.594 ppm2=8.221 assign ( resid 8 and name HB2 ) ( resid 8 and name HN or resid 28 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 3.4 0.7 0.7 volume=0.649 peak=680 ppm1=1.693 ppm2=7.941 assign ( resid 8 and name HB3 ) ( resid 8 and name HN or resid 28 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 3.6 0.7 0.7 volume=0.475 peak=681 ppm1=1.448 ppm2=7.929 assign ( resid 29 and name HE2 or resid 42 and name HE3 or resid 64 and name HB2 ) ( resid 18 and name HN or resid 32 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.6 0.7 0.7 volume=0.507 peak=682 ppm1=2.864 ppm2=8.595 assign ( resid 29 and name HE3 or resid 64 and name HB3 ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 3.9 0.8 0.8 volume=0.321 peak=683 ppm1=2.802 ppm2=8.604 assign ( resid 13 and name HE3 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.7 0.7 0.7 volume=0.412 peak=684 ppm1=3.062 ppm2=8.558 assign ( resid 13 and name HE3 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 106 and name HN ) 3.9 0.8 0.8 volume=0.314 peak=685 ppm1=3.062 ppm2=8.370 assign ( resid 13 and name HE2 ) ( resid 9 and name HN or resid 13 and name HN or resid 21 and name HN or resid 54 and name HN or resid 58 and name HN ) 4.0 0.8 0.8 volume=0.270 peak=686 ppm1=3.186 ppm2=8.536 assign ( resid 13 and name HE2 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.8 0.8 0.8 volume=0.341 peak=687 ppm1=3.181 ppm2=8.377 assign ( resid 40 and name HE2 or resid 72 and name HB2 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 40 and name HG3 or resid 59 and name HG13 or resid 83 and name HG2 ) 3.2 0.6 0.6 volume=1.105 peak=688 ppm1=2.592 ppm2=1.235 assign ( resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 68 and name HB3 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.9 1.0 1.0 volume=0.244 peak=689 ppm1=2.987 ppm2=0.921 assign ( resid 40 and name HE3 or resid 69 and name HB2 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 40 and name HG3 or resid 59 and name HG13 or resid 83 and name HG2 ) 3.3 0.7 0.7 volume=1.027 peak=690 ppm1=2.445 ppm2=1.236 assign ( resid 40 and name HE2 or resid 72 and name HB2 ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 3.4 0.7 0.7 volume=0.919 peak=691 ppm1=2.594 ppm2=1.106 assign ( resid 40 and name HE3 or resid 69 and name HB2 ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 3.3 0.7 0.7 volume=1.028 peak=692 ppm1=2.440 ppm2=1.105 assign ( resid 29 and name HE2 or resid 42 and name HE3 or resid 64 and name HB2 ) ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 3.7 0.7 0.7 volume=0.816 peak=693 ppm1=2.875 ppm2=0.792 assign ( resid 29 and name HE2 or resid 42 and name HE3 or resid 64 and name HB2 ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 3.9 0.8 0.8 volume=0.658 peak=694 ppm1=2.884 ppm2=1.026 assign ( resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) ( resid 22 and name HD1# or resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) 3.0 0.6 0.6 volume=1.563 peak=695 ppm1=2.961 ppm2=1.391 assign ( resid 29 and name HE2 or resid 42 and name HE3 or resid 64 and name HB2 ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 2.9 0.6 0.6 volume=1.698 peak=696 ppm1=2.869 ppm2=1.516 assign ( resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 53 and name HE3 or resid 53 and name HE2 or resid 72 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 2.4 0.5 0.5 volume=6.245 peak=697 ppm1=3.021 ppm2=1.516 assign ( resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 53 and name HE3 or resid 53 and name HE2 or resid 72 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB2 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 2.1 0.3 0.4 volume=13.919 peak=698 ppm1=3.018 ppm2=1.700 assign ( resid 42 and name HE2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 104 and name HB2 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 ) 2.7 0.5 0.5 volume=2.674 peak=699 ppm1=2.975 ppm2=1.793 assign ( resid 40 and name HE2 or resid 72 and name HB2 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 ) 2.4 0.5 0.5 volume=5.115 peak=700 ppm1=2.595 ppm2=2.447 assign ( resid 40 and name HE3 or resid 69 and name HB2 ) ( resid 7 and name HB3 or resid 23 and name HB2 or resid 40 and name HE2 or resid 71 and name HB3 or resid 72 and name HB2 ) 2.4 0.5 0.5 volume=5.367 peak=701 ppm1=2.440 ppm2=2.602 assign ( resid 69 and name HB2 ) ( resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.3 0.7 0.7 volume=0.906 peak=702 ppm1=2.439 ppm2=2.166 assign ( resid 69 and name HB3 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 57 and name HB3 or resid 69 and name HB2 ) 3.2 0.6 0.6 volume=0.973 peak=703 ppm1=2.153 ppm2=2.459 assign ( resid 34 and name HB3 ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 69 and name HA or resid 70 and name HA or resid 84 and name HA ) 3.6 0.7 0.7 volume=0.464 peak=704 ppm1=2.556 ppm2=4.498 assign ( resid 29 and name HE3 or resid 64 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.7 0.7 0.7 volume=0.423 peak=705 ppm1=2.786 ppm2=4.072 assign ( resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 ) ( resid 23 and name HA or resid 30 and name HA or resid 44 and name HA or resid 68 and name HA ) 3.3 0.7 0.7 volume=0.809 peak=706 ppm1=2.936 ppm2=5.186 assign ( resid 68 and name HB2 ) ( resid 23 and name HA or resid 30 and name HA or resid 44 and name HA or resid 68 and name HA ) 3.6 0.7 0.7 volume=0.480 peak=707 ppm1=2.688 ppm2=5.186 assign ( resid 69 and name HB2 ) ( resid 6 and name HE# or resid 55 and name HN or resid 71 and name HE# or resid 74 and name HD1 or resid 74 and name HH2 or resid 101 and name HZ ) 4.0 0.8 0.8 volume=0.328 peak=708 ppm1=2.459 ppm2=7.295 assign ( resid 68 and name HB2 ) ( resid 68 and name HD22 or resid 72 and name HD# or resid 100 and name HD2 ) 3.8 0.8 0.8 volume=0.399 peak=709 ppm1=2.676 ppm2=7.012 assign ( resid 68 and name HB2 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.7 0.7 0.7 volume=0.404 peak=710 ppm1=2.670 ppm2=8.482 assign ( resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.4 0.7 0.7 volume=0.690 peak=711 ppm1=2.952 ppm2=8.486 assign ( resid 34 and name HB3 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.9 0.8 0.8 volume=0.290 peak=712 ppm1=2.524 ppm2=8.482 assign ( resid 69 and name HB2 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.5 0.7 0.7 volume=0.537 peak=713 ppm1=2.460 ppm2=8.479 assign ( resid 69 and name HB3 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.9 0.8 0.8 volume=0.315 peak=714 ppm1=2.173 ppm2=8.481 assign ( resid 34 and name HB3 or resid 40 and name HE2 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.8 0.8 0.8 volume=0.330 peak=715 ppm1=2.558 ppm2=8.467 assign ( resid 34 and name HB2 or resid 42 and name HE2 or resid 53 and name HE3 or resid 53 and name HE2 or resid 72 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 ) ( resid 25 and name HN or resid 34 and name HN or resid 38 and name HN or resid 63 and name HN or resid 67 and name HN or resid 81 and name HN ) 3.9 0.8 0.8 volume=0.303 peak=716 ppm1=3.016 ppm2=8.449 assign ( resid 69 and name HB3 ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 4.0 0.8 0.8 volume=0.254 peak=717 ppm1=2.186 ppm2=8.231 assign ( resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 ) ( resid 6 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.6 0.7 0.7 volume=0.485 peak=718 ppm1=2.965 ppm2=8.181 assign ( resid 68 and name HB2 ) ( resid 6 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 75 and name HN or resid 92 and name HN ) 3.8 0.8 0.8 volume=0.372 peak=719 ppm1=2.690 ppm2=8.172 assign ( resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN or resid 107 and name HN ) 3.8 0.8 0.8 volume=0.339 peak=720 ppm1=2.985 ppm2=7.739 assign ( resid 68 and name HB2 ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN or resid 107 and name HN ) 3.5 0.7 0.7 volume=0.610 peak=721 ppm1=2.671 ppm2=7.715 assign ( resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN or resid 107 and name HN ) 3.6 0.7 0.7 volume=0.470 peak=722 ppm1=2.948 ppm2=7.717 assign ( resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 ) ( resid 68 and name HD22 or resid 72 and name HD# or resid 100 and name HD2 ) 4.0 0.8 0.8 volume=0.323 peak=723 ppm1=2.939 ppm2=7.013 assign ( resid 68 and name HB3 ) ( resid 68 and name HD22 or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) 3.9 0.8 0.8 volume=0.358 peak=724 ppm1=2.980 ppm2=6.991 assign ( resid 7 and name HB3 or resid 7 and name HB2 or resid 98 and name HB3 or resid 98 and name HB2 ) ( resid 7 and name HN or resid 16 and name HN or resid 26 and name HN or resid 70 and name HN or resid 91 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 103 and name HN or resid 104 and name HN or resid 105 and name HN ) 3.7 0.7 0.7 volume=0.446 peak=725 ppm1=2.644 ppm2=8.279 assign ( resid 7 and name HB3 or resid 7 and name HB2 or resid 98 and name HB3 or resid 98 and name HB2 ) ( resid 8 and name HN or resid 28 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 3.5 0.7 0.7 volume=0.570 peak=726 ppm1=2.638 ppm2=7.936 assign ( resid 7 and name HB3 ) ( resid 8 and name HN or resid 28 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 3.6 0.7 0.7 volume=0.474 peak=727 ppm1=2.596 ppm2=7.945 assign ( resid 51 and name HB2 ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 101 and name HE# or resid 101 and name HZ ) 3.0 0.6 0.6 volume=1.850 peak=728 ppm1=3.211 ppm2=7.338 assign ( resid 51 and name HB3 ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 101 and name HE# or resid 101 and name HZ ) 3.0 0.6 0.6 volume=1.870 peak=729 ppm1=3.125 ppm2=7.340 assign ( resid 7 and name HB2 or resid 98 and name HB3 or resid 98 and name HB2 ) ( resid 2 and name HA or resid 4 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 2.8 0.6 0.6 volume=2.342 peak=730 ppm1=2.667 ppm2=4.567 assign ( resid 7 and name HB2 or resid 98 and name HB3 or resid 98 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.3 0.9 0.9 volume=0.501 peak=731 ppm1=2.671 ppm2=0.908 assign ( resid 7 and name HB2 or resid 98 and name HB3 or resid 98 and name HB2 ) ( resid 8 and name HG or resid 15 and name HG3 or resid 25 and name HG2 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 79 and name HB3 or resid 82 and name HB3 or resid 83 and name HB3 or resid 92 and name HG or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 ) 3.6 0.7 0.7 volume=0.519 peak=732 ppm1=2.647 ppm2=1.633 assign ( resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) ( resid 29 and name HN or resid 44 and name HN or resid 74 and name HZ2 or resid 84 and name HN or resid 91 and name HD21 or resid 95 and name HD22 ) 3.5 0.7 0.7 volume=0.629 peak=733 ppm1=2.673 ppm2=7.571 assign ( resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 4.0 0.8 0.8 volume=0.260 peak=734 ppm1=2.667 ppm2=4.477 assign ( resid 84 and name HB2 or resid 84 and name HB3 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.0 0.8 0.8 volume=0.806 peak=735 ppm1=2.677 ppm2=0.633 assign ( resid 82 and name HB2 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.4 0.7 0.7 volume=0.679 peak=736 ppm1=1.855 ppm2=1.597 assign ( resid 9 and name HB ) ( resid 8 and name HD2# or resid 9 and name HG2# or resid 9 and name HD1# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 97 and name HD2# or resid 107 and name HG1# ) 3.3 0.7 0.7 volume=2.418 peak=737 ppm1=1.769 ppm2=0.871 assign ( resid 82 and name HB3 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 or resid 103 and name HB2 or resid 104 and name HB2 or resid 106 and name HB2 ) 3.5 0.7 0.7 volume=0.617 peak=738 ppm1=1.590 ppm2=1.867 assign ( resid 82 and name HB3 ) ( resid 6 and name HB2 or resid 26 and name HB2 or resid 33 and name HB2 or resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 or resid 82 and name HA ) 3.6 0.7 0.7 volume=0.471 peak=739 ppm1=1.580 ppm2=3.277 assign ( resid 82 and name HB2 ) ( resid 6 and name HB2 or resid 26 and name HB2 or resid 33 and name HB2 or resid 46 and name HB2 or resid 82 and name HA ) 3.5 0.7 0.7 volume=0.567 peak=740 ppm1=1.848 ppm2=3.259 assign ( resid 82 and name HB3 ) ( resid 82 and name HN ) 3.8 0.8 0.8 volume=0.343 peak=741 ppm1=1.594 ppm2=9.259 assign ( resid 82 and name HB2 ) ( resid 82 and name HN ) 3.9 0.8 0.8 volume=0.312 peak=742 ppm1=1.852 ppm2=9.242 assign ( resid 9 and name HB ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.5 0.7 0.7 volume=0.548 peak=743 ppm1=1.775 ppm2=8.541 assign ( resid 9 and name HB ) ( resid 7 and name HN or resid 10 and name HN or resid 26 and name HN or resid 105 and name HN ) 3.6 0.7 0.7 volume=0.466 peak=744 ppm1=1.771 ppm2=8.324 assign ( resid 6 and name HB3 or resid 101 and name HB3 ) ( resid 6 and name HD# or resid 51 and name HE# or resid 57 and name HD21 or resid 71 and name HE# or resid 74 and name HZ3 or resid 74 and name HD1 or resid 83 and name HN or resid 101 and name HD# ) 3.1 0.6 0.6 volume=1.606 peak=745 ppm1=3.016 ppm2=7.239 assign ( resid 6 and name HB3 ) ( resid 6 and name HD# or resid 51 and name HE# or resid 57 and name HD21 or resid 71 and name HE# or resid 74 and name HZ3 or resid 74 and name HD1 or resid 74 and name HH2 or resid 101 and name HD# ) 3.3 0.7 0.7 volume=1.151 peak=746 ppm1=2.976 ppm2=7.243 assign ( resid 101 and name HB2 ) ( resid 6 and name HD# or resid 51 and name HE# or resid 57 and name HD21 or resid 71 and name HE# or resid 74 and name HZ3 or resid 74 and name HD1 or resid 83 and name HN or resid 101 and name HD# ) 3.2 0.6 0.6 volume=1.316 peak=747 ppm1=3.122 ppm2=7.241 assign ( resid 6 and name HB2 ) ( resid 6 and name HD# or resid 51 and name HE# or resid 71 and name HE# or resid 74 and name HZ3 or resid 74 and name HD1 or resid 74 and name HH2 or resid 101 and name HD# ) 3.3 0.7 0.7 volume=1.090 peak=748 ppm1=3.231 ppm2=7.247 assign ( resid 101 and name HB3 ) ( resid 2 and name HA or resid 4 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 69 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.0 0.6 0.6 volume=1.422 peak=749 ppm1=3.019 ppm2=4.565 assign ( resid 101 and name HB2 ) ( resid 2 and name HA or resid 4 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.0 0.6 0.6 volume=1.595 peak=750 ppm1=3.124 ppm2=4.560 assign ( resid 9 and name HB ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.6 0.7 0.7 volume=0.522 peak=751 ppm1=1.768 ppm2=4.313 assign ( resid 9 and name HB ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.3 0.7 0.7 volume=0.861 peak=752 ppm1=1.778 ppm2=1.477 assign ( resid 9 and name HB ) ( resid 9 and name HG13 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HG2 or resid 42 and name HG2 ) 3.6 0.7 0.7 volume=0.558 peak=753 ppm1=1.772 ppm2=1.130 assign ( resid 6 and name HB2 ) ( resid 8 and name HD1# or resid 8 and name HD2# or resid 9 and name HG2# or resid 9 and name HD1# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD2# or resid 67 and name HG2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 97 and name HD2# or resid 107 and name HG1# ) 4.6 0.9 0.9 volume=0.332 peak=754 ppm1=3.228 ppm2=0.875 assign ( resid 6 and name HB3 or resid 101 and name HB3 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.4 0.9 0.9 volume=0.430 peak=755 ppm1=3.006 ppm2=0.902 assign ( resid 101 and name HB3 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HG or resid 83 and name HB3 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.6 0.7 0.7 volume=0.468 peak=756 ppm1=3.020 ppm2=1.709 assign ( resid 48 and name HB3 or resid 57 and name HB2 ) ( resid 27 and name HB3 or resid 33 and name HB3 or resid 34 and name HB3 or resid 57 and name HB3 ) 3.1 0.6 0.6 volume=1.106 peak=757 ppm1=2.864 ppm2=2.504 assign ( resid 57 and name HB3 ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 3.2 0.6 0.6 volume=1.016 peak=758 ppm1=2.493 ppm2=2.864 assign ( resid 48 and name HB2 or resid 62 and name HB3 or resid 62 and name HB2 ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 4.0 0.8 0.8 volume=0.260 peak=759 ppm1=3.015 ppm2=4.474 assign ( resid 48 and name HB3 or resid 57 and name HB2 ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 3.1 0.6 0.6 volume=1.257 peak=760 ppm1=2.876 ppm2=4.479 assign ( resid 48 and name HB2 or resid 62 and name HB3 or resid 62 and name HB2 ) ( resid 49 and name HN ) 3.9 0.8 0.8 volume=0.283 peak=761 ppm1=3.013 ppm2=9.171 assign ( resid 48 and name HB3 or resid 57 and name HB2 ) ( resid 49 and name HN ) 3.6 0.7 0.7 volume=0.461 peak=762 ppm1=2.878 ppm2=9.164 assign ( resid 48 and name HB3 or resid 57 and name HB2 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.7 0.7 0.7 volume=0.386 peak=763 ppm1=2.858 ppm2=8.551 assign ( resid 48 and name HB2 or resid 62 and name HB3 or resid 62 and name HB2 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.3 0.7 0.7 volume=0.900 peak=764 ppm1=3.016 ppm2=8.389 assign ( resid 48 and name HB3 or resid 57 and name HB2 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.4 0.7 0.7 volume=0.674 peak=765 ppm1=2.883 ppm2=8.390 assign ( resid 48 and name HB2 or resid 62 and name HB3 or resid 62 and name HB2 ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) 3.6 0.7 0.7 volume=0.507 peak=766 ppm1=3.032 ppm2=7.846 assign ( resid 48 and name HB2 or resid 62 and name HB3 or resid 62 and name HB2 ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) 3.4 0.7 0.7 volume=0.638 peak=767 ppm1=2.993 ppm2=7.848 assign ( resid 48 and name HB3 or resid 57 and name HB2 ) ( resid 27 and name HN or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 3.8 0.8 0.8 volume=0.420 peak=768 ppm1=2.855 ppm2=7.193 assign ( resid 57 and name HB3 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.8 0.8 0.8 volume=0.333 peak=769 ppm1=2.498 ppm2=8.559 assign ( resid 57 and name HB2 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE ) 3.9 0.8 0.8 volume=0.309 peak=770 ppm1=2.846 ppm2=7.656 assign ( resid 57 and name HB3 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN ) 4.0 0.8 0.8 volume=0.274 peak=771 ppm1=2.486 ppm2=7.663 assign ( resid 57 and name HB3 ) ( resid 27 and name HN or resid 51 and name HE# or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 4.0 0.8 0.8 volume=0.303 peak=772 ppm1=2.494 ppm2=7.200 assign ( resid 48 and name HB2 or resid 62 and name HB3 or resid 62 and name HB2 ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 101 and name HE# ) 3.8 0.8 0.8 volume=0.472 peak=773 ppm1=2.990 ppm2=7.358 assign ( resid 48 and name HB2 or resid 62 and name HB3 or resid 62 and name HB2 ) ( resid 62 and name HD22 ) 3.4 0.7 0.7 volume=0.677 peak=774 ppm1=3.005 ppm2=6.758 assign ( resid 57 and name HB3 ) ( resid 57 and name HD22 ) 3.9 0.8 0.8 volume=0.286 peak=775 ppm1=2.486 ppm2=6.629 assign ( resid 48 and name HB3 or resid 57 and name HB2 ) ( resid 57 and name HD22 ) 3.8 0.8 0.8 volume=0.354 peak=776 ppm1=2.849 ppm2=6.620 assign ( resid 59 and name HB ) ( resid 9 and name HA or resid 14 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 86 and name HA or resid 89 and name HA or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) 3.6 0.7 0.7 volume=0.477 peak=777 ppm1=1.952 ppm2=4.339 assign ( resid 48 and name HB2 or resid 62 and name HB3 or resid 62 and name HB2 ) ( resid 5 and name HB2 or resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB3 ) 3.8 0.8 0.8 volume=0.367 peak=778 ppm1=3.023 ppm2=1.940 assign ( resid 48 and name HB3 or resid 57 and name HB2 ) ( resid 5 and name HB2 or resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB3 ) 4.0 0.8 0.8 volume=0.274 peak=779 ppm1=2.876 ppm2=1.941 assign ( resid 59 and name HB ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 4.0 0.8 0.8 volume=0.258 peak=780 ppm1=1.965 ppm2=1.494 assign ( resid 59 and name HB ) ( resid 12 and name HG or resid 22 and name HD1# or resid 40 and name HB3 or resid 55 and name HB# or resid 59 and name HG12 ) 4.1 0.8 0.8 volume=0.309 peak=781 ppm1=1.958 ppm2=1.337 assign ( resid 59 and name HB ) ( resid 21 and name HB3 or resid 22 and name HD2# or resid 29 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# or resid 65 and name HG1# ) 3.6 0.7 0.7 volume=0.712 peak=782 ppm1=1.957 ppm2=1.073 assign ( resid 59 and name HB ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.9 1.0 1.0 volume=0.247 peak=783 ppm1=1.966 ppm2=0.909 assign ( resid 59 and name HB ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 59 and name HD1# ) 4.3 0.9 0.9 volume=0.503 peak=784 ppm1=1.958 ppm2=0.590 assign ( resid 57 and name HB2 or resid 95 and name HB2 ) ( resid 3 and name HG2 or resid 8 and name HG or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 ) 3.9 0.8 0.8 volume=0.307 peak=785 ppm1=2.841 ppm2=1.612 assign ( resid 91 and name HB2 or resid 95 and name HB3 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.7 0.7 0.7 volume=0.388 peak=786 ppm1=2.793 ppm2=1.597 assign ( resid 48 and name HB2 or resid 62 and name HB3 or resid 62 and name HB2 ) ( resid 8 and name HB2 or resid 12 and name HB3 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 104 and name HB3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 or resid 106 and name HB3 ) 3.7 0.7 0.7 volume=0.392 peak=787 ppm1=3.018 ppm2=1.715 assign ( resid 48 and name HB2 or resid 62 and name HB3 or resid 62 and name HB2 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.9 0.8 0.8 volume=0.316 peak=788 ppm1=2.997 ppm2=1.588 assign ( resid 48 and name HB2 or resid 62 and name HB3 or resid 62 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.6 0.9 0.9 volume=0.357 peak=789 ppm1=3.007 ppm2=0.894 assign ( resid 48 and name HB3 or resid 57 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.9 1.0 1.0 volume=0.229 peak=790 ppm1=2.868 ppm2=0.897 assign ( resid 57 and name HB2 or resid 95 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.3 0.9 0.9 volume=0.502 peak=791 ppm1=2.832 ppm2=0.894 assign ( resid 91 and name HB2 or resid 95 and name HB3 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.1 0.8 0.8 volume=0.636 peak=792 ppm1=2.781 ppm2=0.888 assign ( resid 91 and name HB2 or resid 95 and name HB3 ) ( resid 8 and name HD2# or resid 9 and name HG2# or resid 9 and name HD1# or resid 63 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# or resid 92 and name HD2# or resid 97 and name HD2# ) 4.2 0.8 0.8 volume=0.621 peak=793 ppm1=2.780 ppm2=0.849 assign ( resid 91 and name HB3 ) ( resid 8 and name HD2# or resid 9 and name HG2# or resid 9 and name HD1# or resid 63 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# or resid 92 and name HD2# or resid 97 and name HD2# ) 4.4 0.9 0.9 volume=0.473 peak=794 ppm1=2.701 ppm2=0.850 assign ( resid 48 and name HB3 or resid 57 and name HB2 ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) 3.9 0.8 0.8 volume=0.316 peak=795 ppm1=2.876 ppm2=7.855 assign ( resid 60 and name HB ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.5 0.7 0.7 volume=0.564 peak=796 ppm1=2.138 ppm2=8.890 assign ( resid 60 and name HB ) ( resid 6 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.8 0.8 0.8 volume=0.349 peak=797 ppm1=2.134 ppm2=8.180 assign ( resid 36 and name HB3 ) ( resid 27 and name HN or resid 36 and name HD# ) 3.7 0.7 0.7 volume=0.596 peak=798 ppm1=3.322 ppm2=7.154 assign ( resid 36 and name HB2 ) ( resid 27 and name HN or resid 36 and name HD# or resid 83 and name HN ) 3.7 0.7 0.7 volume=0.467 peak=799 ppm1=2.730 ppm2=7.164 assign ( resid 36 and name HB3 ) ( resid 10 and name HA or resid 36 and name HA or resid 46 and name HA ) 4.0 0.8 0.8 volume=0.275 peak=800 ppm1=3.315 ppm2=4.932 assign ( resid 36 and name HB2 ) ( resid 10 and name HA or resid 36 and name HA or resid 46 and name HA ) 3.8 0.8 0.8 volume=0.370 peak=801 ppm1=2.748 ppm2=4.949 assign ( resid 12 and name HB3 ) ( resid 12 and name HA or resid 28 and name HA2 ) 3.9 0.8 0.8 volume=0.293 peak=802 ppm1=1.751 ppm2=3.768 assign ( resid 12 and name HB2 ) ( resid 12 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 4.0 0.8 0.8 volume=0.252 peak=803 ppm1=2.058 ppm2=3.751 assign ( resid 36 and name HB2 ) ( resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 or resid 58 and name HB3 or resid 74 and name HB3 ) 3.2 0.6 0.6 volume=0.973 peak=804 ppm1=2.727 ppm2=3.323 assign ( resid 36 and name HB3 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 91 and name HB3 ) 3.1 0.6 0.6 volume=1.122 peak=805 ppm1=3.317 ppm2=2.739 assign ( resid 12 and name HB2 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.3 0.7 0.7 volume=0.826 peak=806 ppm1=2.068 ppm2=1.761 assign ( resid 12 and name HB3 ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 3.2 0.6 0.6 volume=0.944 peak=807 ppm1=1.763 ppm2=2.061 assign ( resid 12 and name HB2 ) ( resid 12 and name HG or resid 55 and name HB# or resid 59 and name HG12 or resid 83 and name HG3 ) 3.9 0.8 0.8 volume=0.393 peak=808 ppm1=2.060 ppm2=1.313 assign ( resid 12 and name HB3 ) ( resid 12 and name HG or resid 55 and name HB# or resid 59 and name HG12 or resid 83 and name HG3 ) 4.1 0.8 0.8 volume=0.273 peak=809 ppm1=1.749 ppm2=1.320 assign ( resid 12 and name HB3 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.3 0.9 0.9 volume=0.484 peak=810 ppm1=1.757 ppm2=0.636 assign ( resid 12 and name HB2 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# ) 4.2 0.8 0.8 volume=0.599 peak=811 ppm1=2.051 ppm2=0.637 assign ( resid 60 and name HB ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 4.1 0.8 0.8 volume=0.481 peak=812 ppm1=2.141 ppm2=1.033 assign ( resid 12 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.9 0.8 0.8 volume=0.919 peak=813 ppm1=2.047 ppm2=0.892 assign ( resid 60 and name HB ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.0 0.8 0.8 volume=0.831 peak=814 ppm1=2.119 ppm2=0.898 assign ( resid 12 and name HB3 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.2 0.8 0.8 volume=0.569 peak=815 ppm1=1.744 ppm2=0.892 assign ( resid 60 and name HB ) ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# or resid 90 and name HD1# ) 4.1 0.8 0.8 volume=0.484 peak=816 ppm1=2.123 ppm2=0.784 assign ( resid 89 and name HB ) ( resid 11 and name HN or resid 36 and name HN or resid 89 and name HN ) 3.7 0.7 0.7 volume=0.449 peak=817 ppm1=1.953 ppm2=8.748 assign ( resid 89 and name HB ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.7 0.7 0.7 volume=0.399 peak=818 ppm1=1.954 ppm2=1.777 assign ( resid 89 and name HB ) ( resid 29 and name HD3 or resid 44 and name HG3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.6 0.7 0.7 volume=0.490 peak=819 ppm1=1.937 ppm2=1.415 assign ( resid 89 and name HB ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.6 0.7 0.7 volume=1.510 peak=820 ppm1=1.947 ppm2=0.921 assign ( resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.3 0.7 0.7 volume=2.438 peak=821 ppm1=2.352 ppm2=0.919 assign ( resid 24 and name HG2 or resid 24 and name HG3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 78 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 107 and name HB ) 3.2 0.6 0.6 volume=1.053 peak=822 ppm1=2.385 ppm2=2.115 assign ( resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 3.0 0.6 0.6 volume=1.487 peak=823 ppm1=2.337 ppm2=2.074 assign ( resid 102 and name HG2 or resid 102 and name HG3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 2.3 0.5 0.5 volume=6.847 peak=824 ppm1=2.208 ppm2=1.998 assign ( resid 102 and name HG2 or resid 102 and name HG3 ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 89 and name HB or resid 102 and name HB3 ) 2.5 0.5 0.5 volume=4.252 peak=825 ppm1=2.205 ppm2=1.924 assign ( resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.0 0.6 0.6 volume=1.367 peak=826 ppm1=2.343 ppm2=4.080 assign ( resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 24 and name HN or resid 40 and name HN ) 3.2 0.6 0.6 volume=0.937 peak=827 ppm1=2.372 ppm2=9.010 assign ( resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 47 and name HN or resid 86 and name HN ) 3.3 0.7 0.7 volume=0.857 peak=828 ppm1=2.347 ppm2=8.813 assign ( resid 24 and name HG2 or resid 24 and name HG3 ) ( resid 14 and name HN or resid 25 and name HN or resid 48 and name HN or resid 63 and name HN or resid 81 and name HN or resid 106 and name HN ) 3.5 0.7 0.7 volume=0.573 peak=829 ppm1=2.383 ppm2=8.413 assign ( resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.3 0.7 0.7 volume=0.797 peak=830 ppm1=2.348 ppm2=8.402 assign ( resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 6 and name HN or resid 16 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.7 0.7 0.7 volume=0.388 peak=831 ppm1=2.366 ppm2=8.223 assign ( resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.8 0.8 0.8 volume=0.350 peak=832 ppm1=2.332 ppm2=8.226 assign ( resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) 4.0 0.8 0.8 volume=0.248 peak=833 ppm1=2.342 ppm2=7.854 assign ( resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 101 and name HE# or resid 101 and name HZ ) 3.9 0.8 0.8 volume=0.405 peak=834 ppm1=2.355 ppm2=7.334 assign ( resid 102 and name HG2 or resid 102 and name HG3 ) ( resid 3 and name HA or resid 5 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 38 and name HA or resid 50 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 96 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.3 0.7 0.7 volume=0.885 peak=835 ppm1=2.209 ppm2=4.239 assign ( resid 24 and name HG2 or resid 24 and name HG3 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 or resid 106 and name HB3 ) 3.6 0.7 0.7 volume=0.495 peak=836 ppm1=2.377 ppm2=1.712 assign ( resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 60 and name HG12 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.9 0.8 0.8 volume=0.310 peak=837 ppm1=2.356 ppm2=1.521 assign ( resid 40 and name HB2 ) ( resid 22 and name HD1# or resid 29 and name HD3 or resid 40 and name HB3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) 3.8 0.8 0.8 volume=0.389 peak=838 ppm1=2.046 ppm2=1.389 assign ( resid 40 and name HB2 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 40 and name HG3 or resid 59 and name HG13 or resid 83 and name HG2 ) 3.8 0.8 0.8 volume=0.397 peak=839 ppm1=2.054 ppm2=1.219 assign ( resid 40 and name HB3 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 40 and name HG3 or resid 59 and name HG13 or resid 83 and name HG2 ) 3.9 0.8 0.8 volume=0.375 peak=840 ppm1=1.368 ppm2=1.237 assign ( resid 40 and name HB3 ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 4.2 0.8 0.8 volume=0.259 peak=841 ppm1=1.374 ppm2=1.102 assign ( resid 32 and name HB ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 3.9 0.8 0.8 volume=0.321 peak=842 ppm1=3.106 ppm2=8.627 assign ( resid 32 and name HB ) ( resid 14 and name HE21 or resid 18 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 68 and name HD21 ) 3.6 0.7 0.7 volume=0.477 peak=843 ppm1=3.140 ppm2=7.685 assign ( resid 10 and name HB2 ) ( resid 11 and name HN or resid 89 and name HN ) 4.0 0.8 0.8 volume=0.266 peak=844 ppm1=1.964 ppm2=8.757 assign ( resid 10 and name HB2 ) ( resid 7 and name HN or resid 10 and name HN or resid 26 and name HN or resid 105 and name HN ) 3.8 0.8 0.8 volume=0.350 peak=845 ppm1=1.963 ppm2=8.324 assign ( resid 10 and name HB3 ) ( resid 7 and name HN or resid 10 and name HN or resid 26 and name HN or resid 105 and name HN ) 3.5 0.7 0.7 volume=0.591 peak=846 ppm1=1.809 ppm2=8.319 assign ( resid 75 and name HG3 or resid 75 and name HG2 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.7 0.7 0.7 volume=0.446 peak=847 ppm1=2.385 ppm2=8.124 assign ( resid 75 and name HG3 or resid 75 and name HG2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 90 and name HA or resid 94 and name HA ) 4.0 0.8 0.8 volume=0.263 peak=848 ppm1=2.400 ppm2=4.403 assign ( resid 10 and name HB2 ) ( resid 10 and name HA or resid 36 and name HA or resid 46 and name HA ) 3.9 0.8 0.8 volume=0.300 peak=849 ppm1=1.972 ppm2=4.943 assign ( resid 10 and name HB3 ) ( resid 10 and name HA or resid 36 and name HA or resid 46 and name HA ) 4.0 0.8 0.8 volume=0.259 peak=850 ppm1=1.808 ppm2=4.953 assign ( resid 10 and name HB2 ) ( resid 10 and name HG3 or resid 34 and name HB3 or resid 40 and name HE2 ) 3.7 0.7 0.7 volume=0.388 peak=851 ppm1=1.972 ppm2=2.555 assign ( resid 10 and name HB3 ) ( resid 10 and name HG3 or resid 34 and name HB3 or resid 40 and name HE2 ) 3.9 0.8 0.8 volume=0.320 peak=852 ppm1=1.808 ppm2=2.563 assign ( resid 10 and name HB2 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.7 0.7 0.7 volume=0.388 peak=853 ppm1=1.958 ppm2=2.439 assign ( resid 10 and name HB2 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 4.1 0.8 0.8 volume=0.243 peak=854 ppm1=1.964 ppm2=2.138 assign ( resid 10 and name HB3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.7 0.7 0.7 volume=0.421 peak=855 ppm1=1.820 ppm2=2.136 assign ( resid 10 and name HB3 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 4.1 0.8 0.8 volume=0.218 peak=856 ppm1=1.816 ppm2=2.442 assign ( resid 10 and name HB3 ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.2 0.6 0.6 volume=1.069 peak=857 ppm1=1.816 ppm2=1.972 assign ( resid 10 and name HB2 ) ( resid 9 and name HB or resid 10 and name HB3 or resid 13 and name HD3 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 53 and name HB2 or resid 53 and name HB3 or resid 81 and name HD3 or resid 81 and name HD2 or resid 82 and name HB2 or resid 103 and name HB2 or resid 104 and name HB2 or resid 105 and name HB3 or resid 106 and name HB2 ) 3.0 0.6 0.6 volume=1.369 peak=858 ppm1=1.975 ppm2=1.815 assign ( resid 10 and name HB2 ) ( resid 12 and name HG or resid 55 and name HB# or resid 59 and name HG12 or resid 83 and name HG3 ) 4.2 0.8 0.8 volume=0.241 peak=859 ppm1=1.989 ppm2=1.320 assign ( resid 75 and name HG3 or resid 75 and name HG2 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 or resid 83 and name HG2 ) 4.0 0.8 0.8 volume=0.335 peak=860 ppm1=2.379 ppm2=1.251 assign ( resid 75 and name HG3 or resid 75 and name HG2 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 or resid 83 and name HG3 ) 4.0 0.8 0.8 volume=0.331 peak=861 ppm1=2.408 ppm2=1.255 assign ( resid 32 and name HB ) ( resid 8 and name HG or resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 78 and name HB2 or resid 79 and name HB3 or resid 83 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 4.0 0.8 0.8 volume=0.257 peak=862 ppm1=3.119 ppm2=1.675 assign ( resid 32 and name HB ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 4.0 0.8 0.8 volume=0.266 peak=863 ppm1=3.120 ppm2=1.565 assign ( resid 32 and name HB ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HG2# or resid 107 and name HG2# ) 3.9 0.8 0.8 volume=0.855 peak=864 ppm1=3.117 ppm2=0.949 assign ( resid 10 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.2 0.8 0.8 volume=0.606 peak=865 ppm1=1.977 ppm2=0.889 assign ( resid 10 and name HB3 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.2 0.8 0.8 volume=0.595 peak=866 ppm1=1.811 ppm2=0.892 assign ( resid 10 and name HB2 ) ( resid 12 and name HD1# or resid 45 and name HG1# ) 4.4 0.9 0.9 volume=0.425 peak=867 ppm1=1.971 ppm2=0.639 assign ( resid 10 and name HB3 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.5 0.9 0.9 volume=0.369 peak=868 ppm1=1.825 ppm2=0.628 assign ( resid 67 and name HB ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 2.9 0.6 0.6 volume=5.093 peak=869 ppm1=2.168 ppm2=0.921 assign ( resid 41 and name HB2 ) ( resid 26 and name HB2 or resid 33 and name HB2 or resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 or resid 74 and name HB3 ) 3.8 0.8 0.8 volume=0.379 peak=870 ppm1=1.933 ppm2=3.305 assign ( resid 67 and name HB ) ( resid 6 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.3 0.7 0.7 volume=0.791 peak=871 ppm1=2.171 ppm2=8.179 assign ( resid 67 and name HB ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.7 0.7 0.7 volume=0.421 peak=872 ppm1=2.180 ppm2=8.479 assign ( resid 41 and name HB3 or resid 41 and name HB2 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE ) 3.8 0.8 0.8 volume=0.353 peak=873 ppm1=1.917 ppm2=7.648 assign ( resid 41 and name HB2 ) ( resid 68 and name HD22 or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) 4.0 0.8 0.8 volume=0.302 peak=874 ppm1=1.928 ppm2=6.985 assign ( resid 41 and name HB2 ) ( resid 41 and name HA or resid 64 and name HA or resid 73 and name HA or resid 87 and name HA ) 3.7 0.7 0.7 volume=0.394 peak=875 ppm1=1.923 ppm2=5.088 assign ( resid 41 and name HB3 or resid 41 and name HB2 ) ( resid 41 and name HA or resid 64 and name HA or resid 73 and name HA or resid 87 and name HA ) 4.0 0.8 0.8 volume=0.247 peak=876 ppm1=1.895 ppm2=5.077 assign ( resid 67 and name HB ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 90 and name HA or resid 94 and name HA ) 2.9 0.6 0.6 volume=1.701 peak=877 ppm1=2.170 ppm2=4.408 assign ( resid 29 and name HB3 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.4 0.7 0.7 volume=0.652 peak=878 ppm1=1.033 ppm2=1.589 assign ( resid 29 and name HB2 ) ( resid 21 and name HB3 or resid 22 and name HD2# or resid 29 and name HB3 or resid 40 and name HD3 or resid 59 and name HG2# or resid 65 and name HG1# or resid 70 and name HB# ) 3.6 0.7 0.7 volume=0.782 peak=879 ppm1=1.588 ppm2=1.048 assign ( resid 45 and name HB ) ( resid 12 and name HD1# or resid 45 and name HG1# ) 4.1 0.8 0.8 volume=0.714 peak=880 ppm1=2.415 ppm2=0.639 assign ( resid 18 and name HG3 or resid 54 and name HG2 or resid 54 and name HG3 ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG1# ) 3.8 0.8 0.8 volume=0.817 peak=881 ppm1=2.378 ppm2=0.959 assign ( resid 45 and name HB ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 4.0 0.8 0.8 volume=0.559 peak=882 ppm1=2.418 ppm2=0.801 assign ( resid 18 and name HG3 or resid 54 and name HG2 or resid 54 and name HG3 ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 2.6 0.5 0.5 volume=3.134 peak=883 ppm1=2.374 ppm2=2.065 assign ( resid 29 and name HB2 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.8 0.8 0.8 volume=0.348 peak=884 ppm1=1.585 ppm2=4.079 assign ( resid 29 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.7 0.7 0.7 volume=0.403 peak=885 ppm1=1.041 ppm2=4.075 assign ( resid 29 and name HB2 ) ( resid 29 and name HN or resid 54 and name HE22 or resid 74 and name HZ2 or resid 84 and name HN or resid 91 and name HD21 ) 3.6 0.7 0.7 volume=0.511 peak=886 ppm1=1.587 ppm2=7.549 assign ( resid 29 and name HB3 ) ( resid 29 and name HN or resid 74 and name HZ2 or resid 84 and name HN or resid 91 and name HD21 ) 4.0 0.8 0.8 volume=0.260 peak=887 ppm1=1.056 ppm2=7.550 assign ( resid 45 and name HB ) ( resid 46 and name HN ) 3.7 0.7 0.7 volume=0.419 peak=888 ppm1=2.431 ppm2=9.737 assign ( resid 45 and name HB ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 4.0 0.8 0.8 volume=0.253 peak=889 ppm1=2.424 ppm2=8.124 assign ( resid 18 and name HG3 or resid 54 and name HG2 or resid 54 and name HG3 ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 3.3 0.7 0.7 volume=0.779 peak=890 ppm1=2.378 ppm2=8.604 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 92 and name HA or resid 106 and name HA ) 3.1 0.6 0.6 volume=1.143 peak=891 ppm1=2.434 ppm2=4.369 assign ( resid 18 and name HG3 or resid 54 and name HG2 or resid 54 and name HG3 ) ( resid 1 and name HB3 or resid 2 and name HB2 or resid 31 and name HD3 or resid 50 and name HB3 or resid 76 and name HA or resid 93 and name HA1 or resid 94 and name HB3 ) 3.7 0.7 0.7 volume=0.428 peak=892 ppm1=2.375 ppm2=3.911 assign ( resid 5 and name HG3 or resid 5 and name HG2 ) ( resid 3 and name HB2 or resid 5 and name HB2 or resid 13 and name HG2 or resid 13 and name HD2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) 2.2 0.4 0.4 volume=9.229 peak=893 ppm1=2.120 ppm2=1.902 assign ( resid 23 and name HB3 ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 3.8 0.8 0.8 volume=0.372 peak=894 ppm1=3.468 ppm2=2.846 assign ( resid 23 and name HB3 ) ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 58 and name HB2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 77 and name HB2 or resid 77 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 3.9 0.8 0.8 volume=0.294 peak=895 ppm1=3.498 ppm2=2.629 assign ( resid 23 and name HB3 ) ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 45 and name HB or resid 46 and name HB3 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.8 0.8 0.8 volume=0.363 peak=896 ppm1=3.495 ppm2=2.386 assign ( resid 5 and name HG3 or resid 5 and name HG2 ) ( resid 3 and name HA or resid 5 and name HA or resid 19 and name HB or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) 2.9 0.6 0.6 volume=1.762 peak=897 ppm1=2.118 ppm2=4.218 assign ( resid 23 and name HB2 ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 ) 3.6 0.7 0.7 volume=0.504 peak=898 ppm1=2.615 ppm2=3.489 assign ( resid 23 and name HB3 ) ( resid 23 and name HA or resid 44 and name HA or resid 68 and name HA ) 3.8 0.8 0.8 volume=0.380 peak=899 ppm1=3.482 ppm2=5.168 assign ( resid 23 and name HB2 ) ( resid 23 and name HA or resid 44 and name HA or resid 68 and name HA ) 3.9 0.8 0.8 volume=0.303 peak=900 ppm1=2.596 ppm2=5.165 assign ( resid 23 and name HB3 ) ( resid 24 and name HN or resid 40 and name HN or resid 42 and name HN ) 3.5 0.7 0.7 volume=0.586 peak=901 ppm1=3.485 ppm2=9.000 assign ( resid 23 and name HB2 ) ( resid 24 and name HN or resid 40 and name HN ) 3.6 0.7 0.7 volume=0.496 peak=902 ppm1=2.631 ppm2=9.003 assign ( resid 18 and name HG3 or resid 54 and name HG2 or resid 54 and name HG3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 4.0 0.8 0.8 volume=0.270 peak=903 ppm1=2.384 ppm2=4.071 assign ( resid 18 and name HG3 or resid 54 and name HG2 or resid 54 and name HG3 ) ( resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 4.0 0.8 0.8 volume=0.277 peak=904 ppm1=2.370 ppm2=3.633 assign ( resid 103 and name HB2 or resid 104 and name HB2 or resid 105 and name HB3 or resid 106 and name HB2 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 2.6 0.5 0.5 volume=3.472 peak=905 ppm1=1.830 ppm2=1.456 assign ( resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 2.5 0.5 0.5 volume=4.117 peak=906 ppm1=1.763 ppm2=1.455 assign ( resid 10 and name HG3 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.7 0.7 0.7 volume=1.163 peak=907 ppm1=2.547 ppm2=0.901 assign ( resid 10 and name HG3 ) ( resid 12 and name HD1# or resid 45 and name HG1# ) 4.6 0.9 0.9 volume=0.328 peak=908 ppm1=2.568 ppm2=0.642 assign ( resid 14 and name HG2 or resid 14 and name HG3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 2.8 0.6 0.6 volume=2.623 peak=909 ppm1=2.474 ppm2=2.133 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 2.7 0.5 0.5 volume=2.671 peak=910 ppm1=2.440 ppm2=2.135 assign ( resid 14 and name HG2 or resid 14 and name HG3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 2.8 0.6 0.6 volume=2.018 peak=911 ppm1=2.478 ppm2=1.995 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 2.8 0.6 0.6 volume=2.310 peak=912 ppm1=2.442 ppm2=1.993 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 ) ( resid 15 and name HD3 or resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.6 0.7 0.7 volume=0.486 peak=913 ppm1=2.461 ppm2=3.607 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.9 0.8 0.8 volume=0.286 peak=914 ppm1=2.460 ppm2=4.080 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 ) ( resid 41 and name HA or resid 73 and name HA or resid 87 and name HA ) 3.7 0.7 0.7 volume=0.438 peak=915 ppm1=2.432 ppm2=5.105 assign ( resid 10 and name HG3 ) ( resid 41 and name HA or resid 64 and name HA or resid 73 and name HA or resid 87 and name HA ) 3.8 0.8 0.8 volume=0.372 peak=916 ppm1=2.545 ppm2=5.095 assign ( resid 10 and name HG3 ) ( resid 10 and name HA or resid 36 and name HA or resid 46 and name HA ) 3.7 0.7 0.7 volume=0.391 peak=917 ppm1=2.549 ppm2=4.921 assign ( resid 10 and name HG2 ) ( resid 10 and name HA or resid 36 and name HA or resid 46 and name HA ) 3.9 0.8 0.8 volume=0.294 peak=918 ppm1=2.416 ppm2=4.926 assign ( resid 103 and name HB2 or resid 104 and name HB2 or resid 105 and name HB3 or resid 106 and name HB2 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.9 0.6 0.6 volume=1.946 peak=919 ppm1=1.830 ppm2=4.295 assign ( resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.9 0.6 0.6 volume=1.882 peak=920 ppm1=1.758 ppm2=4.295 assign ( resid 14 and name HG2 or resid 14 and name HG3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 94 and name HA or resid 106 and name HA ) 3.2 0.6 0.6 volume=0.953 peak=921 ppm1=2.469 ppm2=4.382 assign ( resid 17 and name HB ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.0 0.6 0.6 volume=1.468 peak=922 ppm1=2.261 ppm2=4.269 assign ( resid 18 and name HG3 or resid 54 and name HG2 or resid 54 and name HG3 ) ( resid 9 and name HA or resid 14 and name HA or resid 18 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 86 and name HA or resid 89 and name HA or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) 4.0 0.8 0.8 volume=0.273 peak=923 ppm1=2.362 ppm2=4.339 assign ( resid 15 and name HB2 or resid 39 and name HB2 ) ( resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 3.6 0.7 0.7 volume=0.491 peak=924 ppm1=1.999 ppm2=3.706 assign ( resid 13 and name HB3 or resid 15 and name HB3 or resid 103 and name HB2 or resid 104 and name HB2 or resid 106 and name HB2 ) ( resid 12 and name HA or resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 3.6 0.7 0.7 volume=0.455 peak=925 ppm1=1.847 ppm2=3.713 assign ( resid 13 and name HB3 or resid 15 and name HB3 or resid 103 and name HB2 or resid 104 and name HB2 or resid 106 and name HB2 ) ( resid 15 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 4.1 0.8 0.8 volume=0.239 peak=926 ppm1=1.857 ppm2=3.603 assign ( resid 42 and name HB3 or resid 42 and name HB2 ) ( resid 12 and name HA or resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 3.7 0.7 0.7 volume=0.450 peak=927 ppm1=1.498 ppm2=3.729 assign ( resid 42 and name HB3 ) ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 4.1 0.8 0.8 volume=0.421 peak=928 ppm1=1.513 ppm2=0.791 assign ( resid 42 and name HB2 ) ( resid 19 and name HG2# or resid 40 and name HG3 or resid 42 and name HG2 ) 3.4 0.7 0.7 volume=0.874 peak=929 ppm1=1.481 ppm2=1.170 assign ( resid 37 and name HB ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 or resid 83 and name HG3 ) 3.2 0.6 0.6 volume=1.151 peak=930 ppm1=2.183 ppm2=1.262 assign ( resid 37 and name HB ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 3.4 0.7 0.7 volume=0.845 peak=931 ppm1=2.180 ppm2=1.101 assign ( resid 13 and name HB2 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 104 and name HB2 or resid 106 and name HB2 ) 3.2 0.6 0.6 volume=1.012 peak=932 ppm1=2.316 ppm2=1.863 assign ( resid 15 and name HB2 or resid 39 and name HB2 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 2.9 0.6 0.6 volume=1.664 peak=933 ppm1=1.988 ppm2=1.782 assign ( resid 37 and name HB ) ( resid 37 and name HA or resid 53 and name HA or resid 65 and name HA or resid 80 and name HA1 or resid 88 and name HA or resid 107 and name HA ) 4.0 0.8 0.8 volume=0.250 peak=934 ppm1=2.187 ppm2=4.024 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 ) ( resid 11 and name HN or resid 89 and name HN ) 3.7 0.7 0.7 volume=0.402 peak=935 ppm1=2.454 ppm2=8.770 assign ( resid 10 and name HG3 ) ( resid 11 and name HN or resid 89 and name HN ) 3.8 0.8 0.8 volume=0.380 peak=936 ppm1=2.549 ppm2=8.751 assign ( resid 14 and name HG2 or resid 14 and name HG3 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.5 0.7 0.7 volume=0.572 peak=937 ppm1=2.479 ppm2=8.388 assign ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 ) ( resid 10 and name HN or resid 14 and name HN or resid 35 and name HN or resid 48 and name HN or resid 106 and name HN ) 3.3 0.7 0.7 volume=0.819 peak=938 ppm1=2.433 ppm2=8.365 assign ( resid 37 and name HB ) ( resid 20 and name HN or resid 30 and name HN or resid 37 and name HN or resid 77 and name HN or resid 101 and name HN ) 3.4 0.7 0.7 volume=0.743 peak=939 ppm1=2.173 ppm2=8.030 assign ( resid 33 and name HB3 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN ) 3.8 0.8 0.8 volume=0.367 peak=940 ppm1=2.478 ppm2=7.666 assign ( resid 42 and name HB3 or resid 42 and name HB2 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.7 0.7 0.7 volume=0.410 peak=941 ppm1=1.487 ppm2=8.136 assign ( resid 42 and name HB3 ) ( resid 42 and name HN ) 4.0 0.8 0.8 volume=0.271 peak=942 ppm1=1.511 ppm2=8.956 assign ( resid 25 and name HB2 ) ( resid 14 and name HN or resid 25 and name HN or resid 48 and name HN or resid 63 and name HN or resid 81 and name HN or resid 106 and name HN ) 3.2 0.6 0.6 volume=0.967 peak=943 ppm1=2.089 ppm2=8.415 assign ( resid 13 and name HB3 or resid 15 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.6 0.7 0.7 volume=0.485 peak=944 ppm1=1.871 ppm2=8.388 assign ( resid 15 and name HB2 or resid 39 and name HB2 ) ( resid 7 and name HN or resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 91 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN or resid 105 and name HN ) 3.8 0.8 0.8 volume=0.369 peak=945 ppm1=1.977 ppm2=8.256 assign ( resid 13 and name HB3 or resid 15 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) ( resid 7 and name HN or resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 91 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN or resid 105 and name HN ) 3.9 0.8 0.8 volume=0.311 peak=946 ppm1=1.869 ppm2=8.261 assign ( resid 15 and name HB2 or resid 25 and name HB3 or resid 39 and name HB2 ) ( resid 14 and name HN or resid 25 and name HN or resid 48 and name HN or resid 63 and name HN or resid 81 and name HN or resid 106 and name HN ) 3.1 0.6 0.6 volume=1.158 peak=947 ppm1=1.999 ppm2=8.413 assign ( resid 13 and name HB2 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.9 0.8 0.8 volume=0.312 peak=948 ppm1=2.319 ppm2=8.553 assign ( resid 13 and name HB2 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.9 0.8 0.8 volume=0.284 peak=949 ppm1=2.343 ppm2=8.375 assign ( resid 25 and name HB3 or resid 56 and name HB2 or resid 83 and name HB2 ) ( resid 13 and name HN or resid 18 and name HN or resid 32 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.0 0.6 0.6 volume=1.628 peak=950 ppm1=1.995 ppm2=8.591 assign ( resid 13 and name HB3 or resid 15 and name HB3 or resid 31 and name HB3 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.9 0.8 0.8 volume=0.300 peak=951 ppm1=1.851 ppm2=8.553 assign ( resid 25 and name HB3 or resid 56 and name HB2 or resid 83 and name HB2 ) ( resid 66 and name HN or resid 74 and name HN ) 3.7 0.7 0.7 volume=0.437 peak=952 ppm1=2.006 ppm2=9.067 assign ( resid 33 and name HB2 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN ) 4.0 0.8 0.8 volume=0.265 peak=953 ppm1=3.277 ppm2=7.661 assign ( resid 73 and name HB2 ) ( resid 24 and name HN or resid 40 and name HN or resid 74 and name HN ) 3.9 0.8 0.8 volume=0.304 peak=954 ppm1=3.140 ppm2=9.025 assign ( resid 73 and name HB3 ) ( resid 24 and name HN or resid 40 and name HN or resid 74 and name HN ) 3.9 0.8 0.8 volume=0.319 peak=955 ppm1=3.402 ppm2=9.037 assign ( resid 17 and name HB ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.9 0.8 0.8 volume=0.313 peak=956 ppm1=2.242 ppm2=8.225 assign ( resid 25 and name HB3 or resid 56 and name HB2 or resid 83 and name HB2 ) ( resid 6 and name HD# or resid 27 and name HN or resid 51 and name HE# or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 3.8 0.8 0.8 volume=0.446 peak=957 ppm1=1.999 ppm2=7.204 assign ( resid 33 and name HB3 ) ( resid 33 and name HA ) 3.5 0.7 0.7 volume=0.592 peak=958 ppm1=2.491 ppm2=4.882 assign ( resid 33 and name HB2 ) ( resid 33 and name HA ) 3.4 0.7 0.7 volume=0.751 peak=959 ppm1=3.258 ppm2=4.883 assign ( resid 25 and name HB2 ) ( resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.2 0.6 0.6 volume=1.097 peak=960 ppm1=2.076 ppm2=4.305 assign ( resid 15 and name HB2 or resid 25 and name HB3 or resid 39 and name HB2 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.9 0.6 0.6 volume=1.856 peak=961 ppm1=1.996 ppm2=4.296 assign ( resid 25 and name HB3 or resid 56 and name HB2 or resid 83 and name HB2 ) ( resid 37 and name HA or resid 53 and name HA or resid 65 and name HA or resid 80 and name HA1 or resid 93 and name HA2 or resid 107 and name HA ) 3.3 0.7 0.7 volume=0.862 peak=962 ppm1=2.006 ppm2=4.008 assign ( resid 31 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 37 and name HA or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 65 and name HA or resid 88 and name HA or resid 107 and name HA ) 2.7 0.5 0.5 volume=2.682 peak=963 ppm1=1.856 ppm2=4.040 assign ( resid 56 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 65 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.8 0.8 0.8 volume=0.353 peak=964 ppm1=1.789 ppm2=4.043 assign ( resid 83 and name HB3 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.6 0.7 0.7 volume=0.530 peak=965 ppm1=1.676 ppm2=4.287 assign ( resid 56 and name HB3 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.6 0.7 0.7 volume=0.464 peak=966 ppm1=1.765 ppm2=4.289 assign ( resid 33 and name HB3 ) ( resid 6 and name HB2 or resid 26 and name HB2 or resid 33 and name HB2 or resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 or resid 82 and name HA ) 3.1 0.6 0.6 volume=1.233 peak=967 ppm1=2.485 ppm2=3.275 assign ( resid 73 and name HB2 ) ( resid 73 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.7 0.7 0.7 volume=0.452 peak=968 ppm1=3.127 ppm2=3.396 assign ( resid 73 and name HB3 ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.6 0.7 0.7 volume=0.461 peak=969 ppm1=3.406 ppm2=3.145 assign ( resid 33 and name HB2 ) ( resid 14 and name HG2 or resid 14 and name HG3 or resid 27 and name HB3 or resid 33 and name HB3 or resid 57 and name HB3 or resid 69 and name HB2 ) 3.0 0.6 0.6 volume=1.355 peak=970 ppm1=3.278 ppm2=2.480 assign ( resid 39 and name HB3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.2 0.6 0.6 volume=1.043 peak=971 ppm1=1.125 ppm2=1.989 assign ( resid 39 and name HB3 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.2 0.6 0.6 volume=0.946 peak=972 ppm1=1.131 ppm2=1.780 assign ( resid 17 and name HB ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG1# ) 2.8 0.6 0.6 volume=4.743 peak=973 ppm1=2.258 ppm2=0.959 assign ( resid 33 and name HB2 ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HG2# or resid 107 and name HG2# ) 4.3 0.9 0.9 volume=0.420 peak=974 ppm1=3.260 ppm2=0.948 assign ( resid 25 and name HB3 or resid 56 and name HB2 or resid 83 and name HB2 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 40 and name HG3 or resid 59 and name HG13 or resid 83 and name HG2 ) 3.8 0.8 0.8 volume=0.411 peak=975 ppm1=1.996 ppm2=1.229 assign ( resid 25 and name HB3 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 ) ( resid 21 and name HB3 or resid 22 and name HD2# or resid 29 and name HB3 or resid 40 and name HD3 or resid 59 and name HG2# or resid 65 and name HG1# or resid 70 and name HB# ) 3.0 0.6 0.6 volume=2.502 peak=976 ppm1=1.994 ppm2=1.049 assign ( resid 25 and name HB3 or resid 56 and name HB2 or resid 83 and name HB2 ) ( resid 3 and name HG2 or resid 8 and name HG or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 ) 3.0 0.6 0.6 volume=1.504 peak=977 ppm1=2.012 ppm2=1.620 assign ( resid 31 and name HB2 or resid 81 and name HB2 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.2 0.6 0.6 volume=0.991 peak=978 ppm1=2.132 ppm2=1.595 assign ( resid 25 and name HB2 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.4 0.7 0.7 volume=0.758 peak=979 ppm1=2.072 ppm2=1.598 assign ( resid 15 and name HB2 or resid 39 and name HB2 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.4 0.7 0.7 volume=0.642 peak=980 ppm1=1.965 ppm2=1.492 assign ( resid 13 and name HB3 or resid 15 and name HB3 or resid 31 and name HB3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.0 0.6 0.6 volume=1.705 peak=981 ppm1=1.886 ppm2=2.141 assign ( resid 43 and name HB or resid 81 and name HB3 ) ( resid 43 and name HG1# ) 4.3 0.9 0.9 volume=0.535 peak=982 ppm1=1.525 ppm2=0.468 assign ( resid 43 and name HB or resid 81 and name HB3 ) ( resid 43 and name HG2# ) 4.2 0.8 0.8 volume=0.606 peak=983 ppm1=1.532 ppm2=-0.110 assign ( resid 61 and name HB3 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.4 0.9 0.9 volume=0.445 peak=984 ppm1=2.735 ppm2=0.912 assign ( resid 46 and name HB2 or resid 61 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.2 0.8 0.8 volume=0.572 peak=985 ppm1=3.202 ppm2=0.912 assign ( resid 46 and name HB2 or resid 61 and name HB2 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 91 and name HB3 ) 3.0 0.6 0.6 volume=1.491 peak=986 ppm1=3.206 ppm2=2.741 assign ( resid 58 and name HB3 ) ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 3.4 0.7 0.7 volume=0.704 peak=987 ppm1=3.338 ppm2=2.673 assign ( resid 26 and name HB2 ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 3.2 0.6 0.6 volume=1.012 peak=988 ppm1=3.276 ppm2=2.851 assign ( resid 61 and name HB3 ) ( resid 6 and name HB2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 ) 3.2 0.6 0.6 volume=1.098 peak=989 ppm1=2.738 ppm2=3.212 assign ( resid 26 and name HB3 ) ( resid 6 and name HB2 or resid 26 and name HB2 or resid 33 and name HB2 or resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 or resid 82 and name HA ) 3.4 0.7 0.7 volume=0.713 peak=990 ppm1=2.835 ppm2=3.273 assign ( resid 26 and name HB2 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.6 0.7 0.7 volume=0.524 peak=991 ppm1=3.276 ppm2=4.076 assign ( resid 26 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.7 0.7 0.7 volume=0.442 peak=992 ppm1=2.859 ppm2=4.082 assign ( resid 58 and name HB2 ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.8 0.8 0.8 volume=0.369 peak=993 ppm1=2.677 ppm2=3.352 assign ( resid 58 and name HB2 ) ( resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 or resid 58 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.7 0.7 0.7 volume=0.425 peak=994 ppm1=2.643 ppm2=3.338 assign ( resid 83 and name HB3 ) ( resid 27 and name HN or resid 51 and name HE# or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 3.7 0.7 0.7 volume=0.512 peak=995 ppm1=1.666 ppm2=7.196 assign ( resid 58 and name HB2 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 4.0 0.8 0.8 volume=0.260 peak=996 ppm1=2.655 ppm2=8.867 assign ( resid 46 and name HB2 or resid 61 and name HB2 ) ( resid 47 and name HN or resid 86 and name HN ) 3.7 0.7 0.7 volume=0.413 peak=997 ppm1=3.236 ppm2=8.809 assign ( resid 46 and name HB3 ) ( resid 47 and name HN or resid 86 and name HN ) 3.7 0.7 0.7 volume=0.434 peak=998 ppm1=2.410 ppm2=8.813 assign ( resid 58 and name HB3 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.6 0.7 0.7 volume=0.489 peak=999 ppm1=3.361 ppm2=8.567 assign ( resid 58 and name HB2 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.6 0.7 0.7 volume=0.482 peak=1000 ppm1=2.665 ppm2=8.567 assign ( resid 58 and name HB3 ) ( resid 25 and name HN or resid 38 and name HN or resid 48 and name HN or resid 63 and name HN or resid 81 and name HN ) 4.1 0.8 0.8 volume=0.241 peak=1001 ppm1=3.374 ppm2=8.423 assign ( resid 46 and name HB2 or resid 61 and name HB2 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.8 0.8 0.8 volume=0.359 peak=1002 ppm1=3.226 ppm2=8.395 assign ( resid 26 and name HB2 ) ( resid 7 and name HN or resid 10 and name HN or resid 16 and name HN or resid 26 and name HN or resid 100 and name HN or resid 105 and name HN ) 3.7 0.7 0.7 volume=0.423 peak=1003 ppm1=3.261 ppm2=8.297 assign ( resid 26 and name HB3 ) ( resid 7 and name HN or resid 10 and name HN or resid 26 and name HN or resid 100 and name HN or resid 105 and name HN ) 3.6 0.7 0.7 volume=0.533 peak=1004 ppm1=2.840 ppm2=8.303 assign ( resid 46 and name HB2 or resid 61 and name HB2 ) ( resid 6 and name HN or resid 16 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 4.0 0.8 0.8 volume=0.266 peak=1005 ppm1=3.229 ppm2=8.222 assign ( resid 61 and name HB2 ) ( resid 6 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.6 0.7 0.7 volume=0.496 peak=1006 ppm1=3.191 ppm2=8.180 assign ( resid 58 and name HB3 ) ( resid 6 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.9 0.8 0.8 volume=0.297 peak=1007 ppm1=3.366 ppm2=8.182 assign ( resid 61 and name HB3 ) ( resid 6 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 78 and name HN or resid 92 and name HN ) 4.1 0.8 0.8 volume=0.243 peak=1008 ppm1=2.746 ppm2=8.182 assign ( resid 58 and name HB3 ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) 4.0 0.8 0.8 volume=0.260 peak=1009 ppm1=3.365 ppm2=7.849 assign ( resid 58 and name HB2 ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 88 and name HN or resid 100 and name HE1 ) 4.0 0.8 0.8 volume=0.249 peak=1010 ppm1=2.669 ppm2=7.831 assign ( resid 46 and name HB3 ) ( resid 46 and name HN ) 4.0 0.8 0.8 volume=0.245 peak=1011 ppm1=2.432 ppm2=9.743 assign ( resid 46 and name HB2 or resid 61 and name HB2 ) ( resid 46 and name HN ) 3.8 0.8 0.8 volume=0.363 peak=1012 ppm1=3.234 ppm2=9.746 assign ( resid 56 and name HB3 ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 88 and name HN or resid 100 and name HE1 ) 3.7 0.7 0.7 volume=0.391 peak=1013 ppm1=1.766 ppm2=7.829 assign ( resid 44 and name HB3 ) ( resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 84 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 3.9 0.8 0.8 volume=0.291 peak=1014 ppm1=1.575 ppm2=7.616 assign ( resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 88 and name HN or resid 100 and name HE1 ) 3.8 0.8 0.8 volume=0.332 peak=1015 ppm1=2.000 ppm2=7.836 assign ( resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE ) 4.1 0.8 0.8 volume=0.236 peak=1016 ppm1=2.011 ppm2=7.642 assign ( resid 43 and name HB or resid 81 and name HB3 ) ( resid 25 and name HN or resid 38 and name HN or resid 63 and name HN or resid 81 and name HN ) 4.1 0.8 0.8 volume=0.243 peak=1017 ppm1=1.531 ppm2=8.440 assign ( resid 43 and name HB or resid 81 and name HB3 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.7 0.7 0.7 volume=0.450 peak=1018 ppm1=1.538 ppm2=8.134 assign ( resid 30 and name HB2 ) ( resid 20 and name HN or resid 30 and name HN or resid 37 and name HN or resid 101 and name HN ) 3.7 0.7 0.7 volume=0.427 peak=1019 ppm1=3.486 ppm2=8.014 assign ( resid 30 and name HB3 ) ( resid 20 and name HN or resid 30 and name HN or resid 37 and name HN or resid 77 and name HN or resid 101 and name HN ) 3.7 0.7 0.7 volume=0.402 peak=1020 ppm1=3.176 ppm2=8.023 assign ( resid 86 and name HB2 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN or resid 65 and name HN ) 4.1 0.8 0.8 volume=0.241 peak=1021 ppm1=3.142 ppm2=8.556 assign ( resid 30 and name HB2 ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 44 and name HD2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) 3.5 0.7 0.7 volume=0.624 peak=1022 ppm1=3.483 ppm2=3.173 assign ( resid 26 and name HB2 ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 59 and name HG2# or resid 65 and name HG1# or resid 70 and name HB# ) 4.3 0.9 0.9 volume=0.352 peak=1023 ppm1=3.267 ppm2=1.035 assign ( resid 26 and name HB2 ) ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# or resid 90 and name HD1# ) 4.1 0.8 0.8 volume=0.469 peak=1024 ppm1=3.273 ppm2=0.786 assign ( resid 26 and name HB3 ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 4.1 0.8 0.8 volume=0.477 peak=1025 ppm1=2.828 ppm2=1.031 assign ( resid 26 and name HB3 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.7 0.9 0.9 volume=0.303 peak=1026 ppm1=2.830 ppm2=0.898 assign ( resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 ) ( resid 21 and name HD2# or resid 90 and name HD1# ) 4.5 0.9 0.9 volume=0.378 peak=1027 ppm1=2.011 ppm2=0.730 assign ( resid 15 and name HB2 or resid 39 and name HB2 ) ( resid 9 and name HG13 or resid 19 and name HG2# or resid 39 and name HB3 or resid 40 and name HG2 or resid 42 and name HG2 ) 3.2 0.6 0.6 volume=1.113 peak=1028 ppm1=1.984 ppm2=1.136 assign ( resid 25 and name HB3 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 65 and name HG2# ) 3.7 0.7 0.7 volume=0.833 peak=1029 ppm1=1.995 ppm2=0.974 assign ( resid 56 and name HB3 ) ( resid 12 and name HB2 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 2.7 0.5 0.5 volume=2.660 peak=1030 ppm1=1.766 ppm2=2.020 assign ( resid 83 and name HB3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 2.9 0.6 0.6 volume=1.748 peak=1031 ppm1=1.681 ppm2=1.995 assign ( resid 25 and name HB2 ) ( resid 8 and name HB2 or resid 12 and name HB3 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 104 and name HB3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 or resid 106 and name HB3 ) 2.8 0.6 0.6 volume=2.339 peak=1032 ppm1=2.100 ppm2=1.717 assign ( resid 53 and name HB2 or resid 53 and name HB3 ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 2.8 0.6 0.6 volume=2.086 peak=1033 ppm1=1.850 ppm2=1.503 assign ( resid 31 and name HB2 or resid 81 and name HB2 ) ( resid 13 and name HG3 or resid 21 and name HG or resid 22 and name HB3 or resid 29 and name HD2 or resid 32 and name HG13 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 90 and name HB2 ) 3.2 0.6 0.6 volume=1.069 peak=1034 ppm1=2.163 ppm2=1.541 assign ( resid 31 and name HB2 or resid 81 and name HB2 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 5 and name HB2 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 41 and name HB2 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) 3.2 0.6 0.6 volume=1.037 peak=1035 ppm1=2.136 ppm2=1.877 assign ( resid 25 and name HB3 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 2.8 0.6 0.6 volume=2.172 peak=1036 ppm1=2.014 ppm2=1.777 assign ( resid 46 and name HB3 ) ( resid 6 and name HB2 or resid 33 and name HB2 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 82 and name HA ) 3.7 0.7 0.7 volume=0.408 peak=1037 ppm1=2.415 ppm2=3.233 assign ( resid 58 and name HB2 ) ( resid 23 and name HN ) 3.9 0.8 0.8 volume=0.298 peak=1038 ppm1=2.664 ppm2=9.630 assign ( resid 58 and name HB3 ) ( resid 23 and name HN ) 3.9 0.8 0.8 volume=0.329 peak=1039 ppm1=3.357 ppm2=9.616 assign ( resid 26 and name HB3 ) ( resid 23 and name HN ) 4.0 0.8 0.8 volume=0.265 peak=1040 ppm1=2.827 ppm2=9.616 assign ( resid 44 and name HB2 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.9 0.8 0.8 volume=0.283 peak=1041 ppm1=1.922 ppm2=8.138 assign ( resid 30 and name HB3 or resid 86 and name HB2 ) ( resid 47 and name HN or resid 86 and name HN ) 3.8 0.8 0.8 volume=0.347 peak=1042 ppm1=3.167 ppm2=8.837 assign ( resid 86 and name HB2 ) ( resid 47 and name HN or resid 71 and name HN or resid 86 and name HN ) 3.8 0.8 0.8 volume=0.376 peak=1043 ppm1=3.128 ppm2=8.841 assign ( resid 86 and name HB3 ) ( resid 47 and name HN or resid 86 and name HN ) 3.7 0.7 0.7 volume=0.416 peak=1044 ppm1=2.719 ppm2=8.831 assign ( resid 86 and name HB2 ) ( resid 12 and name HN or resid 73 and name HN ) 3.9 0.8 0.8 volume=0.303 peak=1045 ppm1=3.141 ppm2=9.532 assign ( resid 86 and name HB3 ) ( resid 46 and name HN ) 4.1 0.8 0.8 volume=0.239 peak=1046 ppm1=2.755 ppm2=9.755 assign ( resid 86 and name HB3 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN or resid 65 and name HN ) 4.1 0.8 0.8 volume=0.238 peak=1047 ppm1=2.725 ppm2=8.558 assign ( resid 30 and name HB2 ) ( resid 10 and name HN or resid 14 and name HN or resid 35 and name HN or resid 48 and name HN or resid 106 and name HN ) 4.0 0.8 0.8 volume=0.260 peak=1048 ppm1=3.488 ppm2=8.363 assign ( resid 86 and name HB2 ) ( resid 45 and name HA ) 3.9 0.8 0.8 volume=0.307 peak=1049 ppm1=3.128 ppm2=5.298 assign ( resid 30 and name HB2 ) ( resid 21 and name HA or resid 30 and name HA or resid 45 and name HA ) 4.0 0.8 0.8 volume=0.269 peak=1050 ppm1=3.468 ppm2=5.249 assign ( resid 30 and name HB3 or resid 86 and name HB2 ) ( resid 21 and name HA or resid 30 and name HA or resid 68 and name HA ) 4.0 0.8 0.8 volume=0.251 peak=1051 ppm1=3.163 ppm2=5.210 assign ( resid 30 and name HB3 or resid 86 and name HB2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 4.0 0.8 0.8 volume=0.266 peak=1052 ppm1=3.157 ppm2=4.379 assign ( resid 86 and name HB2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 86 and name HA or resid 89 and name HA or resid 92 and name HA or resid 106 and name HA ) 4.1 0.8 0.8 volume=0.234 peak=1053 ppm1=3.124 ppm2=4.361 assign ( resid 30 and name HB3 ) ( resid 9 and name HA or resid 25 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 86 and name HA or resid 89 and name HA or resid 92 and name HA or resid 97 and name HA or resid 104 and name HA or resid 105 and name HA or resid 106 and name HA ) 4.0 0.8 0.8 volume=0.251 peak=1054 ppm1=3.198 ppm2=4.329 assign ( resid 86 and name HB3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 92 and name HA or resid 106 and name HA ) 3.8 0.8 0.8 volume=0.363 peak=1055 ppm1=2.733 ppm2=4.369 assign ( resid 86 and name HB2 ) ( resid 11 and name HB3 or resid 29 and name HE3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 91 and name HB3 or resid 95 and name HB3 ) 3.7 0.7 0.7 volume=0.421 peak=1056 ppm1=3.135 ppm2=2.752 assign ( resid 38 and name HB2 or resid 102 and name HB3 ) ( resid 37 and name HB or resid 54 and name HB2 or resid 67 and name HB or resid 87 and name HB2 or resid 102 and name HG2 or resid 102 and name HG3 ) 3.8 0.8 0.8 volume=0.344 peak=1057 ppm1=1.916 ppm2=2.216 assign ( resid 102 and name HB2 ) ( resid 37 and name HB or resid 54 and name HB2 or resid 67 and name HB or resid 87 and name HB2 or resid 102 and name HG2 or resid 102 and name HG3 ) 2.3 0.5 0.5 volume=6.765 peak=1058 ppm1=1.993 ppm2=2.216 assign ( resid 3 and name HB2 or resid 38 and name HB3 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 2.3 0.5 0.5 volume=6.964 peak=1059 ppm1=1.870 ppm2=1.766 assign ( resid 3 and name HB2 or resid 38 and name HB3 ) ( resid 3 and name HG2 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 2.5 0.5 0.5 volume=4.140 peak=1060 ppm1=1.875 ppm2=1.604 assign ( resid 3 and name HB3 or resid 96 and name HB3 or resid 96 and name HB2 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 5 and name HB2 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 or resid 103 and name HB2 or resid 106 and name HB2 ) 2.4 0.5 0.5 volume=5.936 peak=1061 ppm1=1.761 ppm2=1.881 assign ( resid 38 and name HB2 or resid 102 and name HB3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 2.0 0.3 0.4 volume=15.503 peak=1062 ppm1=1.912 ppm2=2.002 assign ( resid 102 and name HB2 ) ( resid 5 and name HB2 or resid 13 and name HG2 or resid 13 and name HD2 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) 2.0 0.3 0.4 volume=17.154 peak=1063 ppm1=1.995 ppm2=1.907 assign ( resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 2.2 0.4 0.4 volume=8.599 peak=1064 ppm1=1.724 ppm2=1.509 assign ( resid 99 and name HB3 ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 2.4 0.5 0.5 volume=5.736 peak=1065 ppm1=1.672 ppm2=1.506 assign ( resid 3 and name HB3 or resid 96 and name HB3 or resid 96 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.5 0.9 0.9 volume=0.363 peak=1066 ppm1=1.773 ppm2=0.908 assign ( resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.5 0.9 0.9 volume=0.388 peak=1067 ppm1=1.731 ppm2=0.902 assign ( resid 4 and name HB3 or resid 100 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.8 1.0 1.0 volume=0.253 peak=1068 ppm1=3.044 ppm2=0.900 assign ( resid 3 and name HB2 or resid 38 and name HB3 ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 44 and name HD2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) 3.2 0.6 0.6 volume=1.079 peak=1069 ppm1=1.868 ppm2=3.177 assign ( resid 3 and name HB3 or resid 96 and name HB3 or resid 96 and name HB2 ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 44 and name HD2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.0 0.6 0.6 volume=1.610 peak=1070 ppm1=1.762 ppm2=3.167 assign ( resid 3 and name HB2 or resid 38 and name HB3 or resid 38 and name HB2 or resid 102 and name HB3 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.1 0.6 0.6 volume=1.239 peak=1071 ppm1=1.891 ppm2=4.285 assign ( resid 3 and name HB3 or resid 96 and name HB3 or resid 96 and name HB2 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.9 0.6 0.6 volume=1.802 peak=1072 ppm1=1.761 ppm2=4.285 assign ( resid 99 and name HB3 ) ( resid 3 and name HA or resid 5 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 38 and name HA or resid 50 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 96 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.2 0.6 0.6 volume=1.095 peak=1073 ppm1=1.663 ppm2=4.239 assign ( resid 100 and name HB3 or resid 100 and name HB2 ) ( resid 2 and name HA or resid 4 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 69 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 2.9 0.6 0.6 volume=1.911 peak=1074 ppm1=3.027 ppm2=4.563 assign ( resid 4 and name HB3 or resid 100 and name HB3 or resid 100 and name HB2 ) ( resid 14 and name HE22 or resid 68 and name HD22 or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) 3.9 0.8 0.8 volume=0.316 peak=1075 ppm1=3.041 ppm2=6.978 assign ( resid 4 and name HB2 or resid 100 and name HB3 ) ( resid 68 and name HD22 or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) 3.8 0.8 0.8 volume=0.405 peak=1076 ppm1=2.994 ppm2=6.980 assign ( resid 38 and name HB3 or resid 38 and name HB2 or resid 102 and name HB3 ) ( resid 25 and name HN or resid 34 and name HN or resid 38 and name HN or resid 63 and name HN or resid 67 and name HN or resid 81 and name HN ) 3.7 0.7 0.7 volume=0.435 peak=1077 ppm1=1.907 ppm2=8.447 assign ( resid 11 and name HB2 ) ( resid 12 and name HN or resid 73 and name HN ) 3.9 0.8 0.8 volume=0.322 peak=1078 ppm1=2.889 ppm2=9.535 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid 12 and name HN ) 3.7 0.7 0.7 volume=0.407 peak=1079 ppm1=2.748 ppm2=9.507 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid 49 and name HN ) 4.0 0.8 0.8 volume=0.266 peak=1080 ppm1=2.752 ppm2=9.164 assign ( resid 11 and name HB2 ) ( resid 11 and name HN or resid 89 and name HN ) 3.9 0.8 0.8 volume=0.295 peak=1081 ppm1=2.883 ppm2=8.769 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid 11 and name HN or resid 89 and name HN ) 3.6 0.7 0.7 volume=0.463 peak=1082 ppm1=2.764 ppm2=8.768 assign ( resid 38 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) ( resid 11 and name HN or resid 89 and name HN ) 4.0 0.8 0.8 volume=0.249 peak=1083 ppm1=1.918 ppm2=8.750 assign ( resid 38 and name HB3 or resid 38 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) ( resid 48 and name HD21 or resid 85 and name HN or resid 88 and name HN ) 3.9 0.8 0.8 volume=0.322 peak=1084 ppm1=1.907 ppm2=7.799 assign ( resid 4 and name HB3 or resid 100 and name HB3 or resid 100 and name HB2 ) ( resid 4 and name HD2 or resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 95 and name HD21 ) 3.7 0.7 0.7 volume=0.496 peak=1085 ppm1=3.015 ppm2=6.916 assign ( resid 87 and name HB2 ) ( resid 41 and name HA or resid 44 and name HA or resid 73 and name HA or resid 87 and name HA ) 3.5 0.7 0.7 volume=0.550 peak=1086 ppm1=2.208 ppm2=5.108 assign ( resid 87 and name HB3 ) ( resid 41 and name HA or resid 73 and name HA or resid 87 and name HA ) 3.5 0.7 0.7 volume=0.554 peak=1087 ppm1=2.148 ppm2=5.106 assign ( resid 102 and name HB2 ) ( resid 3 and name HA or resid 5 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 96 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.1 0.6 0.6 volume=1.106 peak=1088 ppm1=1.991 ppm2=4.234 assign ( resid 38 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 65 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.8 0.8 0.8 volume=0.336 peak=1089 ppm1=1.911 ppm2=4.045 assign ( resid 38 and name HB2 or resid 102 and name HB3 ) ( resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.5 0.7 0.7 volume=0.555 peak=1090 ppm1=1.916 ppm2=3.645 assign ( resid 38 and name HB3 or resid 38 and name HB2 or resid 102 and name HB3 ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.6 0.7 0.7 volume=0.456 peak=1091 ppm1=1.905 ppm2=3.353 assign ( resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 2.9 0.6 0.6 volume=1.973 peak=1092 ppm1=1.727 ppm2=3.157 assign ( resid 99 and name HB3 ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.0 0.6 0.6 volume=1.473 peak=1093 ppm1=1.670 ppm2=3.147 assign ( resid 38 and name HB2 or resid 102 and name HB3 ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.7 0.7 0.7 volume=0.449 peak=1094 ppm1=1.913 ppm2=2.883 assign ( resid 87 and name HB2 ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 89 and name HB or resid 102 and name HB3 ) 3.6 0.7 0.7 volume=0.487 peak=1095 ppm1=2.209 ppm2=1.922 assign ( resid 87 and name HB2 ) ( resid 8 and name HB2 or resid 12 and name HB3 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 or resid 106 and name HB3 ) 3.5 0.7 0.7 volume=0.562 peak=1096 ppm1=2.219 ppm2=1.714 assign ( resid 87 and name HB2 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.0 0.6 0.6 volume=1.620 peak=1097 ppm1=2.208 ppm2=2.000 assign ( resid 87 and name HB3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 3.6 0.7 0.7 volume=0.474 peak=1098 ppm1=2.152 ppm2=1.990 assign ( resid 24 and name HB3 or resid 24 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.8 0.8 0.8 volume=1.070 peak=1099 ppm1=2.101 ppm2=0.918 assign ( resid 74 and name HB2 ) ( resid 12 and name HG or resid 37 and name HG1# or resid 59 and name HG13 or resid 59 and name HG12 or resid 83 and name HG3 ) 4.5 0.9 0.9 volume=0.158 peak=1100 ppm1=3.466 ppm2=1.273 assign ( resid 74 and name HB3 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 or resid 83 and name HG3 ) 4.0 0.8 0.8 volume=0.317 peak=1101 ppm1=3.339 ppm2=1.261 assign ( resid 74 and name HB2 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 79 and name HB3 or resid 83 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 4.0 0.8 0.8 volume=0.262 peak=1102 ppm1=3.443 ppm2=1.687 assign ( resid 74 and name HB3 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 4.1 0.8 0.8 volume=0.212 peak=1103 ppm1=3.355 ppm2=1.703 assign ( resid 74 and name HB2 ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 89 and name HB or resid 102 and name HB3 ) 3.8 0.8 0.8 volume=0.366 peak=1104 ppm1=3.438 ppm2=1.924 assign ( resid 74 and name HB3 ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 89 and name HB or resid 102 and name HB3 ) 4.0 0.8 0.8 volume=0.262 peak=1105 ppm1=3.346 ppm2=1.928 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.6 0.9 0.9 volume=0.319 peak=1106 ppm1=2.747 ppm2=0.892 assign ( resid 11 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.7 0.9 0.9 volume=0.314 peak=1107 ppm1=2.883 ppm2=0.894 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid 21 and name HD2# or resid 42 and name HG3 or resid 60 and name HD1# or resid 90 and name HD1# ) 4.2 0.8 0.8 volume=0.383 peak=1108 ppm1=2.761 ppm2=0.759 assign ( resid 11 and name HB2 ) ( resid 21 and name HD2# or resid 42 and name HG3 or resid 60 and name HD1# or resid 90 and name HD1# ) 4.6 0.9 0.9 volume=0.239 peak=1109 ppm1=2.872 ppm2=0.755 assign ( resid 49 and name HB3 ) ( resid 12 and name HD1# or resid 45 and name HG1# ) 4.7 0.9 0.9 volume=0.285 peak=1110 ppm1=3.012 ppm2=0.657 assign ( resid 49 and name HB3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 4.0 0.8 0.8 volume=0.246 peak=1111 ppm1=2.988 ppm2=1.992 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 4.0 0.8 0.8 volume=0.260 peak=1112 ppm1=2.752 ppm2=1.996 assign ( resid 11 and name HB2 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 4.0 0.8 0.8 volume=0.266 peak=1113 ppm1=2.887 ppm2=1.781 assign ( resid 100 and name HB2 ) ( resid 5 and name HB2 or resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB3 ) 3.9 0.8 0.8 volume=0.285 peak=1114 ppm1=3.051 ppm2=1.944 assign ( resid 11 and name HB2 ) ( resid 5 and name HB2 or resid 13 and name HG2 or resid 13 and name HD2 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) 4.0 0.8 0.8 volume=0.267 peak=1115 ppm1=2.860 ppm2=1.906 assign ( resid 49 and name HB3 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 or resid 75 and name HG2 ) 4.1 0.8 0.8 volume=0.237 peak=1116 ppm1=3.006 ppm2=2.429 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.8 0.8 0.8 volume=0.367 peak=1117 ppm1=2.752 ppm2=2.434 assign ( resid 11 and name HB2 ) ( resid 11 and name HB3 or resid 29 and name HE3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 91 and name HB3 or resid 95 and name HB3 ) 3.5 0.7 0.7 volume=0.588 peak=1118 ppm1=2.888 ppm2=2.749 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.4 0.7 0.7 volume=0.751 peak=1119 ppm1=2.758 ppm2=3.015 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.5 0.7 0.7 volume=0.552 peak=1120 ppm1=2.731 ppm2=2.884 assign ( resid 49 and name HB3 ) ( resid 11 and name HB3 or resid 29 and name HE3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 64 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 3.4 0.7 0.7 volume=0.725 peak=1121 ppm1=3.005 ppm2=2.767 assign ( resid 74 and name HB2 ) ( resid 36 and name HB3 or resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.2 0.6 0.6 volume=0.950 peak=1122 ppm1=3.449 ppm2=3.352 assign ( resid 74 and name HB3 ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.2 0.6 0.6 volume=0.944 peak=1123 ppm1=3.343 ppm2=3.457 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid 2 and name HB2 or resid 31 and name HD3 or resid 49 and name HA or resid 80 and name HA1 or resid 93 and name HA2 or resid 93 and name HA1 ) 3.6 0.7 0.7 volume=0.521 peak=1124 ppm1=2.770 ppm2=3.958 assign ( resid 29 and name HD3 ) ( resid 21 and name HD2# or resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# or resid 90 and name HD1# ) 4.5 0.9 0.9 volume=0.268 peak=1125 ppm1=1.414 ppm2=0.767 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 16 and name HA1 or resid 52 and name HA1 or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB2 ) 3.8 0.8 0.8 volume=0.340 peak=1126 ppm1=2.744 ppm2=3.852 assign ( resid 49 and name HB3 ) ( resid 2 and name HB2 or resid 31 and name HD3 or resid 49 and name HA or resid 80 and name HA1 or resid 93 and name HA2 or resid 93 and name HA1 ) 3.8 0.8 0.8 volume=0.354 peak=1127 ppm1=3.005 ppm2=3.959 assign ( resid 24 and name HB3 or resid 24 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 ) ( resid 24 and name HN or resid 40 and name HN ) 3.0 0.6 0.6 volume=1.373 peak=1128 ppm1=2.102 ppm2=9.003 assign ( resid 24 and name HB3 or resid 24 and name HB2 or resid 78 and name HB3 ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.7 0.7 0.7 volume=0.408 peak=1129 ppm1=2.109 ppm2=8.220 assign ( resid 24 and name HB3 or resid 24 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.2 0.6 0.6 volume=1.023 peak=1130 ppm1=2.101 ppm2=8.399 assign ( resid 75 and name HB3 or resid 75 and name HB2 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.3 0.7 0.7 volume=0.839 peak=1131 ppm1=2.270 ppm2=8.137 assign ( resid 78 and name HB2 ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 70 and name HN or resid 78 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.6 0.7 0.7 volume=0.483 peak=1132 ppm1=1.644 ppm2=8.207 assign ( resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 ) ( resid 47 and name HN or resid 86 and name HN ) 3.0 0.6 0.6 volume=1.360 peak=1133 ppm1=2.070 ppm2=8.807 assign ( resid 75 and name HB3 or resid 75 and name HB2 ) ( resid 76 and name HN ) 3.9 0.8 0.8 volume=0.284 peak=1134 ppm1=2.270 ppm2=9.427 assign ( resid 49 and name HB3 ) ( resid 49 and name HN ) 3.7 0.7 0.7 volume=0.397 peak=1135 ppm1=3.004 ppm2=9.165 assign ( resid 74 and name HB2 ) ( resid 40 and name HN or resid 66 and name HN or resid 74 and name HN ) 3.7 0.7 0.7 volume=0.398 peak=1136 ppm1=3.466 ppm2=9.048 assign ( resid 74 and name HB3 ) ( resid 24 and name HN or resid 40 and name HN or resid 66 and name HN or resid 74 and name HN ) 3.6 0.7 0.7 volume=0.525 peak=1137 ppm1=3.350 ppm2=9.042 assign ( resid 74 and name HB2 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 4.0 0.8 0.8 volume=0.271 peak=1138 ppm1=3.455 ppm2=8.132 assign ( resid 74 and name HB3 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.9 0.8 0.8 volume=0.288 peak=1139 ppm1=3.327 ppm2=8.137 assign ( resid 74 and name HB2 ) ( resid 5 and name HE21 or resid 29 and name HN or resid 54 and name HE22 or resid 74 and name HE3 ) 4.0 0.8 0.8 volume=0.266 peak=1140 ppm1=3.466 ppm2=7.509 assign ( resid 49 and name HB3 ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 88 and name HN or resid 100 and name HE1 ) 4.1 0.8 0.8 volume=0.240 peak=1141 ppm1=3.031 ppm2=7.834 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 88 and name HN or resid 100 and name HE1 ) 4.0 0.8 0.8 volume=0.282 peak=1142 ppm1=2.754 ppm2=7.824 assign ( resid 24 and name HB3 or resid 24 and name HB2 or resid 78 and name HB3 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 3.9 0.8 0.8 volume=0.304 peak=1143 ppm1=2.095 ppm2=7.639 assign ( resid 78 and name HB3 ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 16 and name HA1 or resid 52 and name HA1 or resid 74 and name HA or resid 78 and name HA or resid 94 and name HB2 ) 3.7 0.7 0.7 volume=0.399 peak=1144 ppm1=2.104 ppm2=3.833 assign ( resid 78 and name HB2 ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 16 and name HA1 or resid 52 and name HA1 or resid 74 and name HA or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB2 ) 3.6 0.7 0.7 volume=0.511 peak=1145 ppm1=1.631 ppm2=3.845 assign ( resid 78 and name HB3 ) ( resid 4 and name HB3 or resid 13 and name HE3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.7 0.7 0.7 volume=0.401 peak=1146 ppm1=2.071 ppm2=3.037 assign ( resid 24 and name HB3 or resid 24 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 ) ( resid 13 and name HB2 or resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 ) 2.3 0.5 0.5 volume=7.867 peak=1147 ppm1=2.085 ppm2=2.356 assign ( resid 24 and name HB3 or resid 24 and name HB2 or resid 78 and name HB3 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB2 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.5 0.7 0.7 volume=0.620 peak=1148 ppm1=2.092 ppm2=1.689 assign ( resid 78 and name HB2 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 12 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 3.4 0.7 0.7 volume=0.747 peak=1149 ppm1=1.638 ppm2=2.088 assign ( resid 29 and name HD2 or resid 42 and name HD3 or resid 42 and name HD2 ) ( resid 19 and name HG2# or resid 40 and name HG3 or resid 42 and name HG2 ) 3.3 0.7 0.7 volume=1.022 peak=1150 ppm1=1.532 ppm2=1.170 assign ( resid 29 and name HD3 ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 4.2 0.8 0.8 volume=0.373 peak=1151 ppm1=1.404 ppm2=1.024 assign ( resid 29 and name HD2 ) ( resid 22 and name HD2# or resid 29 and name HG2 or resid 29 and name HB3 or resid 65 and name HG1# or resid 65 and name HG2# or resid 70 and name HB# ) 4.0 0.8 0.8 volume=0.495 peak=1152 ppm1=1.491 ppm2=1.011 assign ( resid 42 and name HD3 or resid 42 and name HD2 ) ( resid 9 and name HD1# or resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 4.0 0.8 0.8 volume=0.562 peak=1153 ppm1=1.514 ppm2=0.797 assign ( resid 29 and name HD2 ) ( resid 29 and name HG3 ) 4.2 0.8 0.8 volume=0.201 peak=1154 ppm1=1.507 ppm2=0.416 assign ( resid 49 and name HB2 ) ( resid 12 and name HD1# or resid 45 and name HG1# ) 4.7 0.9 0.9 volume=0.303 peak=1155 ppm1=2.756 ppm2=0.639 assign ( resid 75 and name HB3 or resid 75 and name HB2 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 or resid 83 and name HG3 ) 3.8 0.8 0.8 volume=0.409 peak=1156 ppm1=2.261 ppm2=1.261 assign ( resid 29 and name HD2 or resid 42 and name HD3 or resid 42 and name HD2 ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.5 0.7 0.7 volume=0.561 peak=1157 ppm1=1.524 ppm2=3.010 assign ( resid 42 and name HD3 or resid 42 and name HD2 ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.5 0.7 0.7 volume=0.627 peak=1158 ppm1=1.509 ppm2=2.876 assign ( resid 24 and name HB3 or resid 24 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 24 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 52 and name HA2 or resid 80 and name HA2 or resid 87 and name HD2 ) 2.8 0.6 0.6 volume=2.340 peak=1159 ppm1=2.097 ppm2=4.112 assign ( resid 75 and name HB3 or resid 75 and name HB2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 90 and name HA or resid 94 and name HA ) 3.5 0.7 0.7 volume=0.606 peak=1160 ppm1=2.275 ppm2=4.408 assign ( resid 14 and name HB2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.2 0.6 0.6 volume=0.922 peak=1161 ppm1=2.137 ppm2=4.378 assign ( resid 5 and name HB2 or resid 13 and name HD2 or resid 88 and name HG2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.6 0.7 0.7 volume=0.531 peak=1162 ppm1=1.939 ppm2=4.379 assign ( resid 5 and name HB2 or resid 13 and name HD2 ) ( resid 3 and name HA or resid 5 and name HA or resid 19 and name HB or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.1 0.6 0.6 volume=1.176 peak=1163 ppm1=1.918 ppm2=4.219 assign ( resid 5 and name HB3 ) ( resid 3 and name HA or resid 5 and name HA or resid 19 and name HB or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.1 0.6 0.6 volume=1.198 peak=1164 ppm1=1.855 ppm2=4.221 assign ( resid 25 and name HD2 or resid 25 and name HD3 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.3 0.7 0.7 volume=0.807 peak=1165 ppm1=1.700 ppm2=4.292 assign ( resid 25 and name HD2 or resid 25 and name HD3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 65 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.5 0.7 0.7 volume=0.617 peak=1166 ppm1=1.711 ppm2=4.045 assign ( resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 2.8 0.6 0.6 volume=2.125 peak=1167 ppm1=2.071 ppm2=4.075 assign ( resid 5 and name HB2 or resid 13 and name HD2 or resid 88 and name HG2 ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 ) 3.4 0.7 0.7 volume=0.751 peak=1168 ppm1=1.934 ppm2=3.187 assign ( resid 13 and name HD3 or resid 81 and name HD3 or resid 81 and name HD2 ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 ) 3.2 0.6 0.6 volume=0.985 peak=1169 ppm1=1.811 ppm2=3.189 assign ( resid 13 and name HD3 or resid 81 and name HD3 or resid 81 and name HD2 ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.1 0.6 0.6 volume=1.219 peak=1170 ppm1=1.807 ppm2=3.016 assign ( resid 14 and name HB3 or resid 88 and name HG2 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 ) 2.9 0.6 0.6 volume=1.863 peak=1171 ppm1=1.987 ppm2=2.452 assign ( resid 5 and name HB2 or resid 13 and name HD2 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.6 0.7 0.7 volume=0.465 peak=1172 ppm1=1.918 ppm2=2.434 assign ( resid 14 and name HB2 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 57 and name HB3 or resid 69 and name HB2 ) 3.0 0.6 0.6 volume=1.569 peak=1173 ppm1=2.137 ppm2=2.456 assign ( resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 27 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 68 and name HB3 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 2.5 0.5 0.5 volume=4.784 peak=1174 ppm1=1.619 ppm2=2.981 assign ( resid 25 and name HD2 or resid 25 and name HD3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) ( resid 4 and name HB3 or resid 13 and name HE3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 2.3 0.5 0.5 volume=7.598 peak=1175 ppm1=1.703 ppm2=3.035 assign ( resid 5 and name HB2 or resid 13 and name HD2 ) ( resid 4 and name HB3 or resid 13 and name HE3 or resid 34 and name HB2 or resid 44 and name HD3 or resid 78 and name HD3 or resid 100 and name HB2 ) 3.5 0.7 0.7 volume=0.624 peak=1176 ppm1=1.923 ppm2=3.068 assign ( resid 53 and name HD2 or resid 53 and name HD3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 1.8 0.0 0.4 volume=36.413 peak=1177 ppm1=1.701 ppm2=1.472 assign ( resid 14 and name HB2 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 56 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 2.6 0.5 0.5 volume=3.393 peak=1178 ppm1=2.128 ppm2=1.988 assign ( resid 5 and name HB2 or resid 13 and name HD2 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 107 and name HB ) 2.3 0.5 0.5 volume=6.892 peak=1179 ppm1=1.923 ppm2=2.128 assign ( resid 5 and name HB3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 107 and name HB ) 2.3 0.5 0.5 volume=6.883 peak=1180 ppm1=1.869 ppm2=2.127 assign ( resid 14 and name HB3 or resid 88 and name HG2 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 78 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 107 and name HB ) 2.7 0.5 0.5 volume=3.166 peak=1181 ppm1=1.987 ppm2=2.123 assign ( resid 13 and name HD3 or resid 81 and name HD3 or resid 81 and name HD2 ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.7 0.7 0.7 volume=1.246 peak=1182 ppm1=1.804 ppm2=0.926 assign ( resid 18 and name HB2 ) ( resid 12 and name HD1# or resid 45 and name HG1# ) 4.5 0.9 0.9 volume=0.368 peak=1183 ppm1=2.089 ppm2=0.640 assign ( resid 14 and name HB3 or resid 18 and name HB3 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# ) 4.2 0.8 0.8 volume=0.563 peak=1184 ppm1=1.998 ppm2=0.636 assign ( resid 40 and name HD2 ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# ) 3.2 0.6 0.6 volume=1.322 peak=1185 ppm1=1.242 ppm2=1.102 assign ( resid 40 and name HD3 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 40 and name HG3 or resid 59 and name HG13 or resid 83 and name HG2 ) 3.1 0.6 0.6 volume=1.275 peak=1186 ppm1=1.093 ppm2=1.243 assign ( resid 40 and name HD2 ) ( resid 7 and name HB3 or resid 23 and name HB2 or resid 40 and name HE2 or resid 71 and name HB3 or resid 72 and name HB2 ) 3.8 0.8 0.8 volume=0.350 peak=1187 ppm1=1.231 ppm2=2.606 assign ( resid 40 and name HD3 ) ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 40 and name HE2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 98 and name HB2 ) 3.9 0.8 0.8 volume=0.309 peak=1188 ppm1=1.087 ppm2=2.617 assign ( resid 40 and name HD3 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 3.9 0.8 0.8 volume=0.305 peak=1189 ppm1=1.091 ppm2=2.438 assign ( resid 40 and name HD2 ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 4.1 0.8 0.8 volume=0.235 peak=1190 ppm1=1.234 ppm2=2.438 assign ( resid 40 and name HD3 ) ( resid 11 and name HA or resid 16 and name HA1 or resid 74 and name HA or resid 78 and name HA or resid 94 and name HB2 ) 4.0 0.8 0.8 volume=0.277 peak=1191 ppm1=1.090 ppm2=3.814 assign ( resid 18 and name HB3 ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 3.5 0.7 0.7 volume=0.567 peak=1192 ppm1=2.010 ppm2=8.607 assign ( resid 14 and name HB3 or resid 18 and name HB3 or resid 88 and name HG2 ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 3.7 0.7 0.7 volume=0.443 peak=1193 ppm1=1.978 ppm2=8.605 assign ( resid 18 and name HB2 ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 3.4 0.7 0.7 volume=0.637 peak=1194 ppm1=2.077 ppm2=8.602 assign ( resid 5 and name HB2 or resid 13 and name HD2 or resid 88 and name HG2 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.8 0.8 0.8 volume=0.365 peak=1195 ppm1=1.932 ppm2=8.558 assign ( resid 14 and name HB3 or resid 18 and name HB3 or resid 88 and name HG2 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.2 0.6 0.6 volume=1.016 peak=1196 ppm1=1.982 ppm2=8.378 assign ( resid 14 and name HB3 or resid 18 and name HB3 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.8 0.8 0.8 volume=0.386 peak=1197 ppm1=1.990 ppm2=8.108 assign ( resid 14 and name HB3 or resid 18 and name HB3 ) ( resid 19 and name HN or resid 43 and name HN or resid 77 and name HN or resid 99 and name HN ) 3.7 0.7 0.7 volume=0.410 peak=1198 ppm1=2.008 ppm2=8.092 assign ( resid 13 and name HD3 or resid 81 and name HD3 or resid 81 and name HD2 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.9 0.8 0.8 volume=0.315 peak=1199 ppm1=1.801 ppm2=8.553 assign ( resid 13 and name HD3 or resid 81 and name HD3 or resid 81 and name HD2 ) ( resid 14 and name HN or resid 25 and name HN or resid 48 and name HN or resid 63 and name HN or resid 81 and name HN or resid 106 and name HN ) 3.7 0.7 0.7 volume=0.434 peak=1200 ppm1=1.797 ppm2=8.414 assign ( resid 25 and name HD2 or resid 25 and name HD3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) ( resid 14 and name HN or resid 25 and name HN or resid 38 and name HN or resid 48 and name HN or resid 63 and name HN or resid 81 and name HN or resid 106 and name HN ) 3.4 0.7 0.7 volume=0.731 peak=1201 ppm1=1.705 ppm2=8.420 assign ( resid 14 and name HB2 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.3 0.7 0.7 volume=0.864 peak=1202 ppm1=2.127 ppm2=8.378 assign ( resid 18 and name HB2 ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.6 0.7 0.7 volume=0.486 peak=1203 ppm1=2.086 ppm2=8.114 assign ( resid 56 and name HD3 or resid 56 and name HD2 ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 88 and name HN or resid 100 and name HE1 ) 4.0 0.8 0.8 volume=0.277 peak=1204 ppm1=1.624 ppm2=7.826 assign ( resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 83 and name HD3 or resid 83 and name HD2 ) ( resid 6 and name HD# or resid 27 and name HN or resid 51 and name HE# or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 3.8 0.8 0.8 volume=0.425 peak=1205 ppm1=1.618 ppm2=7.216 assign ( resid 60 and name HG13 or resid 60 and name HG12 or resid 83 and name HD3 or resid 83 and name HD2 ) ( resid 6 and name HD# or resid 27 and name HN or resid 51 and name HE# or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 3.8 0.8 0.8 volume=0.448 peak=1206 ppm1=1.583 ppm2=7.205 assign ( resid 60 and name HG13 or resid 60 and name HG12 or resid 83 and name HD3 or resid 83 and name HD2 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 3.9 0.8 0.8 volume=0.283 peak=1207 ppm1=1.571 ppm2=8.878 assign ( resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 83 and name HD3 or resid 83 and name HD2 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.9 0.6 0.6 volume=1.651 peak=1208 ppm1=1.612 ppm2=4.295 assign ( resid 60 and name HG12 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.2 0.6 0.6 volume=0.960 peak=1209 ppm1=1.557 ppm2=4.289 assign ( resid 18 and name HB3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 92 and name HA or resid 106 and name HA ) 3.5 0.7 0.7 volume=0.567 peak=1210 ppm1=1.997 ppm2=4.372 assign ( resid 18 and name HB2 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.6 0.7 0.7 volume=0.508 peak=1211 ppm1=2.074 ppm2=4.379 assign ( resid 54 and name HB3 ) ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG3 or resid 75 and name HG2 ) 2.9 0.6 0.6 volume=1.707 peak=1212 ppm1=2.055 ppm2=2.382 assign ( resid 54 and name HB2 ) ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG3 or resid 75 and name HG2 ) 2.9 0.6 0.6 volume=1.669 peak=1213 ppm1=2.241 ppm2=2.377 assign ( resid 54 and name HB3 ) ( resid 17 and name HB or resid 54 and name HB2 or resid 75 and name HB3 or resid 75 and name HB2 or resid 87 and name HB2 or resid 102 and name HG2 or resid 102 and name HG3 ) 2.7 0.5 0.5 volume=2.772 peak=1214 ppm1=2.055 ppm2=2.238 assign ( resid 54 and name HB2 ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 2.7 0.5 0.5 volume=2.521 peak=1215 ppm1=2.234 ppm2=2.063 assign ( resid 15 and name HG2 ) ( resid 8 and name HG or resid 15 and name HG3 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 79 and name HB3 or resid 83 and name HB3 or resid 92 and name HB2 or resid 97 and name HB2 or resid 99 and name HB3 ) 3.0 0.6 0.6 volume=1.529 peak=1216 ppm1=2.150 ppm2=1.643 assign ( resid 15 and name HG2 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 56 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.5 0.7 0.7 volume=0.625 peak=1217 ppm1=2.143 ppm2=1.983 assign ( resid 15 and name HG2 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 41 and name HB3 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 103 and name HB2 or resid 104 and name HB2 or resid 106 and name HB2 ) 3.4 0.7 0.7 volume=0.694 peak=1218 ppm1=2.143 ppm2=1.865 assign ( resid 41 and name HG3 or resid 41 and name HG2 or resid 89 and name HG12 ) ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.0 0.6 0.6 volume=1.621 peak=1219 ppm1=1.772 ppm2=1.407 assign ( resid 89 and name HG13 ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.0 0.6 0.6 volume=1.467 peak=1220 ppm1=1.403 ppm2=1.762 assign ( resid 15 and name HG3 or resid 31 and name HG3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 2.9 0.6 0.6 volume=1.808 peak=1221 ppm1=1.614 ppm2=2.154 assign ( resid 31 and name HG2 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.5 0.7 0.7 volume=0.643 peak=1222 ppm1=1.712 ppm2=2.132 assign ( resid 15 and name HG3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 3.4 0.7 0.7 volume=0.725 peak=1223 ppm1=1.624 ppm2=1.993 assign ( resid 41 and name HG3 or resid 41 and name HG2 or resid 89 and name HG12 ) ( resid 5 and name HB2 or resid 13 and name HG2 or resid 13 and name HD2 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) 2.9 0.6 0.6 volume=1.730 peak=1224 ppm1=1.789 ppm2=1.907 assign ( resid 32 and name HG12 ) ( resid 8 and name HD1# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.7 0.7 0.7 volume=1.245 peak=1225 ppm1=1.671 ppm2=0.931 assign ( resid 89 and name HG12 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 17 and name HG1# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.5 0.7 0.7 volume=1.896 peak=1226 ppm1=1.764 ppm2=0.913 assign ( resid 22 and name HG ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.3 0.7 0.7 volume=2.593 peak=1227 ppm1=1.601 ppm2=0.909 assign ( resid 89 and name HG13 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 32 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.5 0.7 0.7 volume=1.806 peak=1228 ppm1=1.402 ppm2=0.912 assign ( resid 76 and name HB2 ) ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 3.4 0.7 0.7 volume=0.745 peak=1229 ppm1=3.185 ppm2=2.674 assign ( resid 76 and name HB3 ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 ) 3.3 0.7 0.7 volume=0.907 peak=1230 ppm1=2.668 ppm2=3.182 assign ( resid 15 and name HG3 ) ( resid 15 and name HD3 or resid 43 and name HA ) 3.7 0.7 0.7 volume=0.436 peak=1231 ppm1=1.626 ppm2=3.591 assign ( resid 15 and name HG2 ) ( resid 15 and name HD3 or resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.5 0.7 0.7 volume=0.546 peak=1232 ppm1=2.155 ppm2=3.608 assign ( resid 41 and name HG3 or resid 41 and name HG2 ) ( resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 or resid 58 and name HB3 or resid 74 and name HB3 ) 3.6 0.7 0.7 volume=0.467 peak=1233 ppm1=1.795 ppm2=3.316 assign ( resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.3 0.7 0.7 volume=0.841 peak=1234 ppm1=1.567 ppm2=3.158 assign ( resid 76 and name HB2 ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 1 and name HB3 or resid 2 and name HB3 or resid 11 and name HA or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB3 ) 3.6 0.7 0.7 volume=0.492 peak=1235 ppm1=3.184 ppm2=3.880 assign ( resid 76 and name HB3 ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 1 and name HB3 or resid 2 and name HB3 or resid 11 and name HA or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB3 or resid 94 and name HB2 ) 3.4 0.7 0.7 volume=0.656 peak=1236 ppm1=2.677 ppm2=3.877 assign ( resid 54 and name HB2 ) ( resid 9 and name HA or resid 25 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 86 and name HA or resid 89 and name HA or resid 92 and name HA or resid 97 and name HA or resid 105 and name HA or resid 106 and name HA ) 3.4 0.7 0.7 volume=0.642 peak=1237 ppm1=2.246 ppm2=4.333 assign ( resid 15 and name HG2 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.6 0.7 0.7 volume=0.527 peak=1238 ppm1=2.152 ppm2=4.060 assign ( resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 24 and name HA or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 52 and name HA2 or resid 55 and name HA or resid 80 and name HA2 or resid 87 and name HD2 ) 3.8 0.8 0.8 volume=0.378 peak=1239 ppm1=1.570 ppm2=4.105 assign ( resid 15 and name HG3 or resid 32 and name HG12 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 24 and name HA or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 87 and name HD2 or resid 88 and name HA ) 3.8 0.8 0.8 volume=0.381 peak=1240 ppm1=1.627 ppm2=4.087 assign ( resid 41 and name HG3 or resid 41 and name HG2 or resid 89 and name HG12 ) ( resid 41 and name HA or resid 64 and name HA or resid 73 and name HA or resid 87 and name HA ) 3.9 0.8 0.8 volume=0.330 peak=1241 ppm1=1.793 ppm2=5.084 assign ( resid 44 and name HG3 ) ( resid 23 and name HA or resid 44 and name HA or resid 68 and name HA ) 3.9 0.8 0.8 volume=0.327 peak=1242 ppm1=1.457 ppm2=5.155 assign ( resid 31 and name HG3 or resid 44 and name HG2 ) ( resid 41 and name HA or resid 44 and name HA or resid 73 and name HA or resid 87 and name HA ) 3.8 0.8 0.8 volume=0.344 peak=1243 ppm1=1.577 ppm2=5.113 assign ( resid 41 and name HG3 or resid 41 and name HG2 ) ( resid 14 and name HE22 or resid 68 and name HD22 or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) 3.9 0.8 0.8 volume=0.360 peak=1244 ppm1=1.793 ppm2=6.979 assign ( resid 32 and name HG12 ) ( resid 14 and name HE22 or resid 71 and name HD# or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) 4.2 0.8 0.8 volume=0.238 peak=1245 ppm1=1.655 ppm2=6.969 assign ( resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 ) ( resid 14 and name HE22 or resid 71 and name HD# or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) 3.8 0.8 0.8 volume=0.418 peak=1246 ppm1=1.571 ppm2=6.966 assign ( resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 3.7 0.7 0.7 volume=0.395 peak=1247 ppm1=1.571 ppm2=8.619 assign ( resid 32 and name HG12 ) ( resid 18 and name HN or resid 32 and name HN ) 3.8 0.8 0.8 volume=0.361 peak=1248 ppm1=1.670 ppm2=8.634 assign ( resid 31 and name HG2 ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 4.0 0.8 0.8 volume=0.256 peak=1249 ppm1=1.713 ppm2=8.603 assign ( resid 76 and name HB2 ) ( resid 76 and name HN ) 3.9 0.8 0.8 volume=0.330 peak=1250 ppm1=3.174 ppm2=9.423 assign ( resid 76 and name HB3 ) ( resid 76 and name HN ) 3.6 0.7 0.7 volume=0.513 peak=1251 ppm1=2.682 ppm2=9.427 assign ( resid 76 and name HB3 ) ( resid 30 and name HN or resid 37 and name HN or resid 77 and name HN ) 3.8 0.8 0.8 volume=0.336 peak=1252 ppm1=2.681 ppm2=8.045 assign ( resid 76 and name HB2 ) ( resid 30 and name HN or resid 37 and name HN or resid 77 and name HN ) 3.9 0.8 0.8 volume=0.301 peak=1253 ppm1=3.199 ppm2=8.040 assign ( resid 89 and name HG13 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.8 0.8 0.8 volume=0.343 peak=1254 ppm1=1.391 ppm2=8.885 assign ( resid 15 and name HG3 ) ( resid 47 and name HN or resid 86 and name HN ) 4.0 0.8 0.8 volume=0.269 peak=1255 ppm1=1.621 ppm2=8.837 assign ( resid 41 and name HG3 or resid 41 and name HG2 or resid 89 and name HG12 ) ( resid 11 and name HN or resid 36 and name HN or resid 89 and name HN ) 4.1 0.8 0.8 volume=0.240 peak=1256 ppm1=1.758 ppm2=8.740 assign ( resid 89 and name HG13 ) ( resid 11 and name HN or resid 36 and name HN or resid 89 and name HN ) 3.9 0.8 0.8 volume=0.291 peak=1257 ppm1=1.396 ppm2=8.747 assign ( resid 32 and name HG13 or resid 44 and name HG2 ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 4.0 0.8 0.8 volume=0.249 peak=1258 ppm1=1.580 ppm2=8.472 assign ( resid 41 and name HG3 or resid 41 and name HG2 or resid 89 and name HG12 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE ) 3.9 0.8 0.8 volume=0.320 peak=1259 ppm1=1.770 ppm2=7.643 assign ( resid 32 and name HG12 ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 4.0 0.8 0.8 volume=0.254 peak=1260 ppm1=1.667 ppm2=7.635 assign ( resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 ) ( resid 41 and name HN or resid 44 and name HN or resid 79 and name HN or resid 84 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 3.8 0.8 0.8 volume=0.340 peak=1261 ppm1=1.575 ppm2=7.614 assign ( resid 39 and name HG2 or resid 39 and name HG3 ) ( resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 4.0 0.8 0.8 volume=0.247 peak=1262 ppm1=1.776 ppm2=4.301 assign ( resid 44 and name HG3 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 4.1 0.8 0.8 volume=0.239 peak=1263 ppm1=1.464 ppm2=4.290 assign ( resid 38 and name HG2 or resid 38 and name HG3 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.8 0.8 0.8 volume=0.342 peak=1264 ppm1=1.694 ppm2=4.290 assign ( resid 76 and name HB2 ) ( resid 13 and name HG3 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 60 and name HG12 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) 4.1 0.8 0.8 volume=0.234 peak=1265 ppm1=3.162 ppm2=1.524 assign ( resid 76 and name HB3 ) ( resid 13 and name HG3 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) 3.7 0.7 0.7 volume=0.446 peak=1266 ppm1=2.684 ppm2=1.531 assign ( resid 76 and name HB3 ) ( resid 8 and name HD1# or resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 32 and name HD1# or resid 63 and name HD1# or resid 65 and name HG2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 89 and name HG2# or resid 107 and name HG2# ) 4.8 1.0 1.0 volume=0.242 peak=1267 ppm1=2.691 ppm2=0.948 assign ( resid 76 and name HB2 ) ( resid 17 and name HG2# or resid 17 and name HG1# or resid 29 and name HG2 or resid 32 and name HG2# or resid 65 and name HG2# ) 4.6 0.9 0.9 volume=0.242 peak=1268 ppm1=3.191 ppm2=0.976 assign ( resid 15 and name HG3 or resid 31 and name HG3 ) ( resid 43 and name HG2# ) 4.4 0.9 0.9 volume=0.423 peak=1269 ppm1=1.602 ppm2=-0.100 assign ( resid 31 and name HG2 ) ( resid 43 and name HG2# ) 4.4 0.9 0.9 volume=0.457 peak=1270 ppm1=1.720 ppm2=-0.105 assign ( resid 87 and name HG3 or resid 89 and name HG13 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.7 0.7 0.7 volume=0.457 peak=1271 ppm1=1.399 ppm2=2.135 assign ( resid 89 and name HG13 ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.5 0.7 0.7 volume=0.627 peak=1272 ppm1=1.418 ppm2=1.972 assign ( resid 12 and name HD2# or resid 90 and name HD2# ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 25 and name HG3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.7 0.7 0.7 volume=1.268 peak=1273 ppm1=0.873 ppm2=1.462 assign ( resid 22 and name HD1# ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 3.6 0.7 0.7 volume=3.123 peak=1274 ppm1=1.356 ppm2=1.032 assign ( resid 87 and name HG3 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 106 and name HA ) 3.8 0.8 0.8 volume=0.371 peak=1275 ppm1=1.404 ppm2=4.379 assign ( resid 9 and name HG13 ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA or resid 106 and name HA ) 3.6 0.7 0.7 volume=0.487 peak=1276 ppm1=1.132 ppm2=4.319 assign ( resid 22 and name HD1# ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.8 0.8 0.8 volume=1.052 peak=1277 ppm1=1.356 ppm2=4.268 assign ( resid 22 and name HG or resid 97 and name HG ) ( resid 6 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 75 and name HN or resid 92 and name HN ) 3.9 0.8 0.8 volume=0.325 peak=1278 ppm1=1.606 ppm2=8.173 assign ( resid 22 and name HD1# ) ( resid 8 and name HN or resid 28 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 4.0 0.8 0.8 volume=0.785 peak=1279 ppm1=1.360 ppm2=7.916 assign ( resid 22 and name HD1# ) ( resid 29 and name HN or resid 54 and name HE22 or resid 74 and name HE3 or resid 74 and name HZ2 or resid 91 and name HD21 ) 4.2 0.8 0.8 volume=0.617 peak=1280 ppm1=1.361 ppm2=7.540 assign ( resid 87 and name HG2 ) ( resid 43 and name HG1# ) 4.4 0.9 0.9 volume=0.433 peak=1281 ppm1=2.004 ppm2=0.470 assign ( resid 87 and name HG2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.8 1.0 1.0 volume=0.263 peak=1282 ppm1=2.017 ppm2=0.905 assign ( resid 9 and name HG12 or resid 21 and name HG or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 21 and name HD2# or resid 42 and name HG3 or resid 60 and name HD1# or resid 90 and name HD1# ) 3.9 0.8 0.8 volume=0.606 peak=1283 ppm1=1.499 ppm2=0.748 assign ( resid 87 and name HG3 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.7 0.9 0.9 volume=0.296 peak=1284 ppm1=1.405 ppm2=0.602 assign ( resid 22 and name HD1# ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 59 and name HD1# ) 4.9 1.0 1.0 volume=0.683 peak=1285 ppm1=1.344 ppm2=0.593 assign ( resid 59 and name HG13 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 59 and name HD1# ) 4.1 0.8 0.8 volume=0.631 peak=1286 ppm1=1.224 ppm2=0.589 assign ( resid 21 and name HG or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 59 and name HD1# ) 4.1 0.8 0.8 volume=0.701 peak=1287 ppm1=1.512 ppm2=0.595 assign ( resid 3 and name HG2 or resid 92 and name HG or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG ) ( resid 8 and name HD2# or resid 9 and name HG2# or resid 9 and name HD1# or resid 12 and name HD2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# or resid 92 and name HD2# or resid 97 and name HD2# ) 3.1 0.6 0.6 volume=3.737 peak=1288 ppm1=1.601 ppm2=0.853 assign ( resid 9 and name HG12 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 8 and name HD2# or resid 9 and name HG2# or resid 9 and name HD1# or resid 12 and name HD2# or resid 63 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# or resid 92 and name HD2# or resid 97 and name HD2# ) 3.2 0.6 0.6 volume=3.165 peak=1289 ppm1=1.477 ppm2=0.853 assign ( resid 9 and name HG13 ) ( resid 8 and name HD2# or resid 9 and name HG2# or resid 9 and name HD1# or resid 63 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# or resid 92 and name HD2# or resid 97 and name HD2# ) 3.3 0.7 0.7 volume=2.719 peak=1290 ppm1=1.118 ppm2=0.848 assign ( resid 9 and name HG12 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 9 and name HG13 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HD3 or resid 40 and name HG2 or resid 42 and name HG2 ) 2.8 0.6 0.6 volume=2.539 peak=1291 ppm1=1.477 ppm2=1.122 assign ( resid 39 and name HG2 or resid 39 and name HG3 ) ( resid 9 and name HG13 or resid 19 and name HG2# or resid 39 and name HB3 or resid 40 and name HG2 or resid 42 and name HG2 ) 3.3 0.7 0.7 volume=1.001 peak=1292 ppm1=1.772 ppm2=1.140 assign ( resid 92 and name HG or resid 97 and name HG ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 ) 2.6 0.5 0.5 volume=3.727 peak=1293 ppm1=1.600 ppm2=3.183 assign ( resid 9 and name HG12 or resid 21 and name HG or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 2.6 0.5 0.5 volume=3.813 peak=1294 ppm1=1.491 ppm2=3.152 assign ( resid 22 and name HG or resid 78 and name HG2 or resid 97 and name HG ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.6 0.7 0.7 volume=0.473 peak=1295 ppm1=1.587 ppm2=3.363 assign ( resid 54 and name HB3 ) ( resid 9 and name HA or resid 14 and name HA or resid 25 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 86 and name HA or resid 89 and name HA or resid 92 and name HA or resid 97 and name HA or resid 106 and name HA ) 3.9 0.8 0.8 volume=0.286 peak=1296 ppm1=2.065 ppm2=4.338 assign ( resid 22 and name HG or resid 78 and name HG2 ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 16 and name HA1 or resid 52 and name HA1 or resid 74 and name HA or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB2 ) 3.6 0.7 0.7 volume=0.510 peak=1297 ppm1=1.579 ppm2=3.846 assign ( resid 78 and name HG3 ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 16 and name HA1 or resid 52 and name HA1 or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB2 ) 3.6 0.7 0.7 volume=0.497 peak=1298 ppm1=1.449 ppm2=3.852 assign ( resid 39 and name HG2 or resid 39 and name HG3 ) ( resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.0 0.6 0.6 volume=1.502 peak=1299 ppm1=1.776 ppm2=3.648 assign ( resid 3 and name HG2 or resid 92 and name HG or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG ) ( resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 60 and name HA or resid 77 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.1 0.6 0.6 volume=1.248 peak=1300 ppm1=1.606 ppm2=4.307 assign ( resid 13 and name HG3 or resid 78 and name HG2 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.1 0.6 0.6 volume=1.275 peak=1301 ppm1=1.554 ppm2=4.292 assign ( resid 22 and name HD1# ) ( resid 22 and name HA ) 4.5 0.9 0.9 volume=0.409 peak=1302 ppm1=1.359 ppm2=6.041 assign ( resid 13 and name HG2 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.8 0.8 0.8 volume=0.352 peak=1303 ppm1=1.882 ppm2=8.551 assign ( resid 3 and name HG2 or resid 8 and name HG or resid 92 and name HG or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG ) ( resid 9 and name HN or resid 13 and name HN or resid 21 and name HN or resid 54 and name HN or resid 58 and name HN or resid 69 and name HN or resid 93 and name HN ) 4.0 0.8 0.8 volume=0.245 peak=1304 ppm1=1.617 ppm2=8.530 assign ( resid 9 and name HG12 or resid 90 and name HG ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.5 0.7 0.7 volume=0.570 peak=1305 ppm1=1.464 ppm2=8.544 assign ( resid 21 and name HG or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 9 and name HN or resid 21 and name HN or resid 34 and name HN or resid 54 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.4 0.7 0.7 volume=0.647 peak=1306 ppm1=1.509 ppm2=8.508 assign ( resid 13 and name HG3 or resid 21 and name HG ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 4.0 0.8 0.8 volume=0.269 peak=1307 ppm1=1.533 ppm2=8.373 assign ( resid 77 and name HB2 or resid 77 and name HB3 ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 70 and name HN or resid 78 and name HN or resid 92 and name HN or resid 96 and name HN or resid 102 and name HN ) 3.9 0.8 0.8 volume=0.306 peak=1308 ppm1=2.644 ppm2=8.200 assign ( resid 77 and name HB2 or resid 77 and name HB3 ) ( resid 30 and name HN or resid 37 and name HN or resid 77 and name HN ) 3.7 0.7 0.7 volume=0.430 peak=1309 ppm1=2.645 ppm2=8.058 assign ( resid 8 and name HG ) ( resid 8 and name HN or resid 28 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 3.5 0.7 0.7 volume=0.593 peak=1310 ppm1=1.644 ppm2=7.938 assign ( resid 9 and name HG13 ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.8 0.8 0.8 volume=0.334 peak=1311 ppm1=1.138 ppm2=8.541 assign ( resid 9 and name HG13 ) ( resid 7 and name HN or resid 10 and name HN or resid 26 and name HN or resid 105 and name HN ) 3.9 0.8 0.8 volume=0.326 peak=1312 ppm1=1.121 ppm2=8.321 assign ( resid 21 and name HG or resid 90 and name HG ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.8 0.8 0.8 volume=0.346 peak=1313 ppm1=1.500 ppm2=8.885 assign ( resid 59 and name HG12 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.7 0.7 0.7 volume=0.410 peak=1314 ppm1=1.321 ppm2=8.882 assign ( resid 59 and name HG13 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 4.0 0.8 0.8 volume=0.266 peak=1315 ppm1=1.234 ppm2=8.871 assign ( resid 9 and name HG12 or resid 78 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 3.7 0.7 0.7 volume=0.412 peak=1316 ppm1=1.467 ppm2=8.863 assign ( resid 13 and name HG2 ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.9 0.8 0.8 volume=0.289 peak=1317 ppm1=1.858 ppm2=8.383 assign ( resid 78 and name HG3 ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 70 and name HN or resid 78 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 102 and name HN or resid 104 and name HN ) 4.0 0.8 0.8 volume=0.251 peak=1318 ppm1=1.451 ppm2=8.204 assign ( resid 13 and name HG3 or resid 78 and name HG2 ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 78 and name HN or resid 92 and name HN or resid 96 and name HN ) 4.0 0.8 0.8 volume=0.260 peak=1319 ppm1=1.544 ppm2=8.198 assign ( resid 8 and name HG or resid 97 and name HG ) ( resid 2 and name HA or resid 4 and name HA or resid 7 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.6 0.7 0.7 volume=0.495 peak=1320 ppm1=1.630 ppm2=4.571 assign ( resid 9 and name HG12 or resid 21 and name HG or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 2 and name HA or resid 4 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 69 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.9 0.8 0.8 volume=0.321 peak=1321 ppm1=1.497 ppm2=4.565 assign ( resid 22 and name HD1# ) ( resid 2 and name HA or resid 34 and name HA or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 4.1 0.8 0.8 volume=0.704 peak=1322 ppm1=1.354 ppm2=4.520 assign ( resid 77 and name HB2 or resid 77 and name HB3 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.5 0.7 0.7 volume=0.576 peak=1323 ppm1=2.657 ppm2=4.273 assign ( resid 38 and name HG2 or resid 38 and name HG3 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 or resid 83 and name HG3 ) 3.7 0.7 0.7 volume=0.512 peak=1324 ppm1=1.687 ppm2=1.266 assign ( resid 42 and name HG3 ) ( resid 19 and name HG2# or resid 39 and name HB3 or resid 42 and name HG2 ) 3.3 0.7 0.7 volume=1.154 peak=1325 ppm1=0.784 ppm2=1.165 assign ( resid 63 and name HG or resid 79 and name HG ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 17 and name HG2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.3 0.7 0.7 volume=2.382 peak=1326 ppm1=1.727 ppm2=0.910 assign ( resid 9 and name HG13 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 104 and name HG3 or resid 104 and name HG2 ) 2.7 0.5 0.5 volume=2.724 peak=1327 ppm1=1.116 ppm2=1.479 assign ( resid 42 and name HG3 ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 60 and name HG12 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.3 0.7 0.7 volume=0.837 peak=1328 ppm1=0.787 ppm2=1.521 assign ( resid 8 and name HG or resid 38 and name HG2 or resid 38 and name HG3 ) ( resid 25 and name HN or resid 34 and name HN or resid 38 and name HN or resid 63 and name HN or resid 67 and name HN or resid 81 and name HN ) 3.6 0.7 0.7 volume=0.524 peak=1329 ppm1=1.673 ppm2=8.448 assign ( resid 63 and name HG or resid 79 and name HG ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.4 0.7 0.7 volume=0.656 peak=1330 ppm1=1.741 ppm2=8.402 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 78 and name HN or resid 92 and name HN ) 4.4 0.9 0.9 volume=0.426 peak=1331 ppm1=0.729 ppm2=8.196 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 54 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 4.5 0.9 0.9 volume=0.388 peak=1332 ppm1=0.723 ppm2=8.493 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 22 and name HN or resid 72 and name HN or resid 82 and name HN ) 4.3 0.9 0.9 volume=0.497 peak=1333 ppm1=0.722 ppm2=9.291 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 66 and name HN or resid 74 and name HN ) 4.3 0.9 0.9 volume=0.486 peak=1334 ppm1=0.722 ppm2=9.073 assign ( resid 12 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# ) ( resid 12 and name HN ) 4.1 0.8 0.8 volume=0.655 peak=1335 ppm1=0.881 ppm2=9.516 assign ( resid 12 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 3.9 0.8 0.8 volume=0.876 peak=1336 ppm1=0.871 ppm2=8.868 assign ( resid 22 and name HD2# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.8 0.8 0.8 volume=1.129 peak=1337 ppm1=1.039 ppm2=8.884 assign ( resid 12 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# ) ( resid 11 and name HN or resid 89 and name HN ) 4.3 0.9 0.9 volume=0.531 peak=1338 ppm1=0.870 ppm2=8.758 assign ( resid 12 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# ) ( resid 48 and name HD21 or resid 85 and name HN or resid 88 and name HN or resid 107 and name HN ) 4.6 0.9 0.9 volume=0.347 peak=1339 ppm1=0.876 ppm2=7.786 assign ( resid 12 and name HD2# or resid 79 and name HD1# ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN or resid 85 and name HN or resid 107 and name HN ) 4.3 0.9 0.9 volume=0.520 peak=1340 ppm1=0.910 ppm2=7.747 assign ( resid 22 and name HD2# ) ( resid 22 and name HA ) 3.7 0.7 0.7 volume=1.180 peak=1341 ppm1=1.037 ppm2=6.033 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 21 and name HA or resid 30 and name HA or resid 45 and name HA ) 4.2 0.8 0.8 volume=0.558 peak=1342 ppm1=0.723 ppm2=5.231 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 90 and name HA or resid 94 and name HA ) 4.0 0.8 0.8 volume=0.803 peak=1343 ppm1=0.726 ppm2=4.408 assign ( resid 90 and name HD2# ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 94 and name HA or resid 106 and name HA ) 3.8 0.8 0.8 volume=1.116 peak=1344 ppm1=0.872 ppm2=4.391 assign ( resid 12 and name HD2# or resid 79 and name HD1# ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.7 0.7 0.7 volume=1.279 peak=1345 ppm1=0.916 ppm2=4.265 assign ( resid 22 and name HD2# ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.8 0.8 0.8 volume=1.113 peak=1346 ppm1=1.036 ppm2=4.269 assign ( resid 12 and name HD2# or resid 79 and name HD1# ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 1 and name HB3 or resid 2 and name HB3 or resid 11 and name HA or resid 16 and name HA1 or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB3 or resid 94 and name HB2 ) 4.0 0.8 0.8 volume=0.810 peak=1347 ppm1=0.918 ppm2=3.870 assign ( resid 90 and name HD2# ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 16 and name HA1 or resid 52 and name HA1 or resid 74 and name HA or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB2 ) 3.4 0.7 0.7 volume=2.147 peak=1348 ppm1=0.871 ppm2=3.848 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 6 and name HB2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 ) 4.1 0.8 0.8 volume=0.686 peak=1349 ppm1=0.732 ppm2=3.206 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 ) 4.3 0.9 0.9 volume=0.511 peak=1350 ppm1=0.722 ppm2=2.958 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 4.3 0.9 0.9 volume=0.503 peak=1351 ppm1=0.726 ppm2=3.474 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 12 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 4.0 0.8 0.8 volume=0.745 peak=1352 ppm1=0.725 ppm2=2.016 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 13 and name HG3 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) 3.2 0.6 0.6 volume=2.970 peak=1353 ppm1=0.725 ppm2=1.531 assign ( resid 12 and name HD2# or resid 90 and name HD2# ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.4 0.7 0.7 volume=2.075 peak=1354 ppm1=0.870 ppm2=1.574 assign ( resid 12 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.2 0.6 0.6 volume=2.886 peak=1355 ppm1=0.884 ppm2=1.777 assign ( resid 22 and name HD2# ) ( resid 22 and name HD1# or resid 40 and name HB3 or resid 55 and name HB# ) 3.6 0.7 0.7 volume=2.645 peak=1356 ppm1=1.039 ppm2=1.358 assign ( resid 12 and name HG ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.8 0.8 0.8 volume=1.093 peak=1357 ppm1=1.318 ppm2=0.895 assign ( resid 29 and name HG2 ) ( resid 29 and name HG3 ) 3.2 0.6 0.6 volume=0.961 peak=1358 ppm1=0.976 ppm2=0.418 assign ( resid 22 and name HD2# ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 59 and name HD1# ) 5.1 1.0 1.0 volume=0.569 peak=1359 ppm1=1.044 ppm2=0.594 assign ( resid 12 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# ) ( resid 12 and name HG or resid 22 and name HD1# or resid 55 and name HB# or resid 59 and name HG12 or resid 83 and name HG3 ) 3.5 0.7 0.7 volume=2.588 peak=1360 ppm1=0.883 ppm2=1.326 assign ( resid 22 and name HD2# ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.4 0.7 0.7 volume=2.265 peak=1361 ppm1=1.034 ppm2=1.578 assign ( resid 90 and name HD2# ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 4.3 0.9 0.9 volume=0.503 peak=1362 ppm1=0.871 ppm2=2.868 assign ( resid 12 and name HD2# or resid 79 and name HD1# ) ( resid 36 and name HB2 or resid 58 and name HB2 or resid 61 and name HB3 or resid 68 and name HB2 or resid 76 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 ) 4.3 0.9 0.9 volume=0.475 peak=1363 ppm1=0.907 ppm2=2.700 assign ( resid 25 and name HG2 ) ( resid 14 and name HN or resid 25 and name HN or resid 48 and name HN or resid 63 and name HN or resid 81 and name HN or resid 106 and name HN ) 3.3 0.7 0.7 volume=0.868 peak=1364 ppm1=1.596 ppm2=8.413 assign ( resid 25 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 25 and name HN or resid 38 and name HN or resid 48 and name HN or resid 63 and name HN or resid 81 and name HN or resid 106 and name HN ) 3.2 0.6 0.6 volume=1.052 peak=1365 ppm1=1.503 ppm2=8.422 assign ( resid 22 and name HD2# ) ( resid 23 and name HN or resid 73 and name HN ) 4.5 0.9 0.9 volume=0.414 peak=1366 ppm1=1.038 ppm2=9.610 assign ( resid 29 and name HG2 ) ( resid 29 and name HN or resid 54 and name HE22 or resid 74 and name HZ2 or resid 84 and name HN or resid 91 and name HD21 ) 3.7 0.7 0.7 volume=0.392 peak=1367 ppm1=0.992 ppm2=7.547 assign ( resid 29 and name HG3 ) ( resid 29 and name HN or resid 54 and name HE22 or resid 74 and name HE3 or resid 74 and name HZ2 or resid 91 and name HD21 ) 3.9 0.8 0.8 volume=0.311 peak=1368 ppm1=0.394 ppm2=7.537 assign ( resid 8 and name HD1# or resid 63 and name HD1# or resid 63 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# ) ( resid 6 and name HD# or resid 51 and name HE# or resid 71 and name HE# or resid 74 and name HZ3 or resid 74 and name HD1 or resid 74 and name HH2 or resid 101 and name HD# or resid 101 and name HZ ) 4.5 0.9 0.9 volume=0.519 peak=1369 ppm1=0.907 ppm2=7.265 assign ( resid 29 and name HG3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 3.7 0.7 0.7 volume=0.448 peak=1370 ppm1=0.391 ppm2=4.073 assign ( resid 25 and name HG2 ) ( resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.4 0.7 0.7 volume=0.734 peak=1371 ppm1=1.591 ppm2=4.304 assign ( resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 81 and name HA or resid 102 and name HA ) 3.3 0.7 0.7 volume=0.806 peak=1372 ppm1=1.510 ppm2=4.189 assign ( resid 25 and name HG2 ) ( resid 4 and name HB3 or resid 6 and name HB3 or resid 13 and name HE3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.3 0.7 0.7 volume=0.772 peak=1373 ppm1=1.606 ppm2=3.029 assign ( resid 12 and name HD2# or resid 79 and name HD1# ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 68 and name HB3 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.6 0.7 0.7 volume=1.430 peak=1374 ppm1=0.919 ppm2=2.995 assign ( resid 22 and name HD2# ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 4.3 0.9 0.9 volume=0.519 peak=1375 ppm1=1.029 ppm2=2.857 assign ( resid 40 and name HG2 ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 78 and name HB3 or resid 107 and name HB ) 3.9 0.8 0.8 volume=0.294 peak=1376 ppm1=1.092 ppm2=2.061 assign ( resid 22 and name HD2# ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 4.1 0.8 0.8 volume=0.761 peak=1377 ppm1=1.035 ppm2=2.132 assign ( resid 12 and name HD2# or resid 79 and name HD1# ) ( resid 10 and name HG2 or resid 18 and name HG2 or resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.9 0.8 0.8 volume=0.890 peak=1378 ppm1=0.920 ppm2=2.399 assign ( resid 12 and name HD2# or resid 79 and name HD1# or resid 79 and name HD2# ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 78 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 107 and name HB ) 3.7 0.7 0.7 volume=1.235 peak=1379 ppm1=0.900 ppm2=2.118 assign ( resid 8 and name HD1# or resid 63 and name HD1# or resid 92 and name HD1# or resid 97 and name HD1# ) ( resid 8 and name HB2 or resid 12 and name HB3 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 104 and name HB3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 or resid 106 and name HB3 ) 2.8 0.6 0.6 volume=7.025 peak=1380 ppm1=0.924 ppm2=1.718 assign ( resid 29 and name HG3 ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.9 0.8 0.8 volume=0.322 peak=1381 ppm1=0.388 ppm2=1.585 assign ( resid 25 and name HG2 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 60 and name HB or resid 78 and name HB3 or resid 87 and name HB3 or resid 107 and name HB ) 3.1 0.6 0.6 volume=1.307 peak=1382 ppm1=1.606 ppm2=2.104 assign ( resid 25 and name HG2 ) ( resid 12 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.7 0.7 0.7 volume=0.410 peak=1383 ppm1=1.598 ppm2=2.013 assign ( resid 25 and name HG2 ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 or resid 106 and name HB3 ) 2.4 0.5 0.5 volume=5.456 peak=1384 ppm1=1.598 ppm2=1.710 assign ( resid 25 and name HG2 ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 2.3 0.5 0.5 volume=7.185 peak=1385 ppm1=1.599 ppm2=1.504 assign ( resid 25 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 4 and name HB3 or resid 6 and name HB3 or resid 13 and name HE3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 2.7 0.5 0.5 volume=3.021 peak=1386 ppm1=1.492 ppm2=3.026 assign ( resid 8 and name HD1# or resid 92 and name HD1# ) ( resid 9 and name HA or resid 25 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 86 and name HA or resid 89 and name HA or resid 92 and name HA or resid 97 and name HA or resid 104 and name HA or resid 105 and name HA or resid 106 and name HA ) 3.5 0.7 0.7 volume=1.855 peak=1387 ppm1=0.899 ppm2=4.330 assign ( resid 8 and name HD1# or resid 63 and name HD1# or resid 92 and name HD1# or resid 97 and name HD1# ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 70 and name HA or resid 84 and name HA ) 3.5 0.7 0.7 volume=1.743 peak=1388 ppm1=0.926 ppm2=4.482 assign ( resid 25 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.9 0.6 0.6 volume=1.944 peak=1389 ppm1=1.496 ppm2=4.291 assign ( resid 25 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 35 and name HB3 or resid 37 and name HA or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 65 and name HA or resid 88 and name HA or resid 107 and name HA ) 3.1 0.6 0.6 volume=1.179 peak=1390 ppm1=1.501 ppm2=4.040 assign ( resid 8 and name HD1# or resid 63 and name HD1# or resid 63 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 4.0 0.8 0.8 volume=0.784 peak=1391 ppm1=0.906 ppm2=3.156 assign ( resid 83 and name HG3 ) ( resid 6 and name HD# or resid 27 and name HN or resid 51 and name HE# or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 3.6 0.7 0.7 volume=0.586 peak=1392 ppm1=1.286 ppm2=7.204 assign ( resid 83 and name HG2 ) ( resid 27 and name HN or resid 51 and name HE# or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 3.8 0.8 0.8 volume=0.419 peak=1393 ppm1=1.217 ppm2=7.203 assign ( resid 83 and name HG3 ) ( resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 60 and name HA or resid 77 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.5 0.7 0.7 volume=0.569 peak=1394 ppm1=1.309 ppm2=4.306 assign ( resid 83 and name HG3 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.5 0.7 0.7 volume=0.636 peak=1395 ppm1=1.272 ppm2=4.290 assign ( resid 83 and name HG2 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.6 0.7 0.7 volume=0.526 peak=1396 ppm1=1.195 ppm2=4.290 assign ( resid 83 and name HG2 ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.8 0.8 0.8 volume=0.380 peak=1397 ppm1=1.227 ppm2=4.273 assign ( resid 83 and name HG3 ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 68 and name HB3 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.7 0.7 0.7 volume=0.430 peak=1398 ppm1=1.311 ppm2=2.991 assign ( resid 83 and name HG3 ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.7 0.7 0.7 volume=0.414 peak=1399 ppm1=1.281 ppm2=3.002 assign ( resid 83 and name HG3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.3 0.7 0.7 volume=0.795 peak=1400 ppm1=1.286 ppm2=2.009 assign ( resid 83 and name HG2 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 102 and name HB2 ) 3.5 0.7 0.7 volume=0.551 peak=1401 ppm1=1.210 ppm2=1.997 assign ( resid 8 and name HD2# or resid 92 and name HD2# or resid 97 and name HD2# ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.7 0.7 0.7 volume=1.214 peak=1402 ppm1=0.832 ppm2=8.541 assign ( resid 63 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.8 0.8 0.8 volume=1.098 peak=1403 ppm1=0.885 ppm2=8.380 assign ( resid 8 and name HD2# or resid 92 and name HD2# ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 4.2 0.8 0.8 volume=0.553 peak=1404 ppm1=0.842 ppm2=8.251 assign ( resid 8 and name HD2# or resid 92 and name HD2# ) ( resid 8 and name HN or resid 28 and name HN or resid 52 and name HN or resid 64 and name HD21 ) 3.7 0.7 0.7 volume=1.238 peak=1405 ppm1=0.839 ppm2=7.927 assign ( resid 8 and name HD2# or resid 92 and name HD2# ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 101 and name HE# ) 4.2 0.8 0.8 volume=0.772 peak=1406 ppm1=0.844 ppm2=7.345 assign ( resid 8 and name HD2# or resid 92 and name HD2# ) ( resid 14 and name HE22 or resid 71 and name HD# or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) 4.5 0.9 0.9 volume=0.477 peak=1407 ppm1=0.830 ppm2=6.966 assign ( resid 63 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# ) ( resid 4 and name HD2 or resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HD# or resid 72 and name HE# or resid 91 and name HD22 or resid 95 and name HD21 ) 4.3 0.9 0.9 volume=0.598 peak=1408 ppm1=0.883 ppm2=6.936 assign ( resid 8 and name HD2# or resid 92 and name HD2# or resid 97 and name HD2# ) ( resid 2 and name HA or resid 4 and name HA or resid 7 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.2 0.6 0.6 volume=2.817 peak=1409 ppm1=0.832 ppm2=4.573 assign ( resid 63 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 2.8 0.6 0.6 volume=6.408 peak=1410 ppm1=0.888 ppm2=4.476 assign ( resid 8 and name HD2# or resid 92 and name HD2# or resid 97 and name HD2# ) ( resid 9 and name HA or resid 25 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 86 and name HA or resid 89 and name HA or resid 92 and name HA or resid 97 and name HA or resid 104 and name HA or resid 105 and name HA or resid 106 and name HA ) 3.2 0.6 0.6 volume=2.849 peak=1411 ppm1=0.842 ppm2=4.330 assign ( resid 63 and name HD2# or resid 97 and name HD1# ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 ) 4.9 1.0 1.0 volume=0.238 peak=1412 ppm1=0.890 ppm2=3.190 assign ( resid 8 and name HD2# or resid 92 and name HD2# ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 44 and name HD2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.9 0.8 0.8 volume=0.941 peak=1413 ppm1=0.845 ppm2=3.170 assign ( resid 8 and name HD2# or resid 92 and name HD2# ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 68 and name HB3 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.8 0.8 0.8 volume=1.106 peak=1414 ppm1=0.844 ppm2=2.998 assign ( resid 63 and name HD2# or resid 97 and name HD1# ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.9 0.8 0.8 volume=0.848 peak=1415 ppm1=0.889 ppm2=3.013 assign ( resid 8 and name HD2# or resid 92 and name HD2# ) ( resid 29 and name HE3 or resid 38 and name HD3 or resid 49 and name HB2 or resid 64 and name HB3 or resid 91 and name HB2 or resid 95 and name HB2 or resid 95 and name HB3 ) 4.1 0.8 0.8 volume=0.637 peak=1416 ppm1=0.841 ppm2=2.791 assign ( resid 63 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# ) ( resid 29 and name HE3 or resid 38 and name HD3 or resid 49 and name HB2 or resid 64 and name HB3 or resid 91 and name HB2 or resid 95 and name HB2 or resid 95 and name HB3 ) 4.7 0.9 0.9 volume=0.317 peak=1417 ppm1=0.876 ppm2=2.789 assign ( resid 63 and name HD2# or resid 97 and name HD1# ) ( resid 3 and name HB3 or resid 8 and name HB2 or resid 12 and name HB3 or resid 22 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 53 and name HD2 or resid 53 and name HD3 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HD2 or resid 104 and name HD3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 2.7 0.5 0.5 volume=8.427 peak=1418 ppm1=0.888 ppm2=1.736 assign ( resid 8 and name HD2# or resid 92 and name HD2# or resid 97 and name HD2# ) ( resid 3 and name HG2 or resid 8 and name HG or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 ) 2.5 0.5 0.5 volume=14.679 peak=1419 ppm1=0.844 ppm2=1.617 assign ( resid 21 and name HD1# ) ( resid 13 and name HG3 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 60 and name HG12 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.1 0.6 0.6 volume=3.581 peak=1420 ppm1=0.594 ppm2=1.522 assign ( resid 21 and name HD1# ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 4.4 0.9 0.9 volume=0.458 peak=1421 ppm1=0.587 ppm2=2.161 assign ( resid 21 and name HD1# ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) 4.3 0.9 0.9 volume=0.503 peak=1422 ppm1=0.592 ppm2=2.953 assign ( resid 21 and name HD1# ) ( resid 2 and name HA or resid 34 and name HA or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.5 0.7 0.7 volume=1.754 peak=1423 ppm1=0.595 ppm2=4.529 assign ( resid 21 and name HD1# ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 94 and name HA or resid 106 and name HA ) 3.9 0.8 0.8 volume=0.863 peak=1424 ppm1=0.586 ppm2=4.390 assign ( resid 21 and name HD1# ) ( resid 3 and name HA or resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) 4.3 0.9 0.9 volume=0.495 peak=1425 ppm1=0.599 ppm2=4.213 assign ( resid 21 and name HD1# ) ( resid 21 and name HA or resid 30 and name HA or resid 45 and name HA ) 3.4 0.7 0.7 volume=2.088 peak=1426 ppm1=0.593 ppm2=5.248 assign ( resid 21 and name HD1# ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 54 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.6 0.7 0.7 volume=1.557 peak=1427 ppm1=0.593 ppm2=8.491 assign ( resid 21 and name HD1# ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.9 0.8 0.8 volume=0.962 peak=1428 ppm1=0.588 ppm2=8.226 assign ( resid 21 and name HD1# ) ( resid 22 and name HN or resid 82 and name HN ) 3.9 0.8 0.8 volume=0.945 peak=1429 ppm1=0.591 ppm2=9.288 assign ( resid 19 and name HG2# ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.9 0.8 0.8 volume=0.925 peak=1430 ppm1=1.169 ppm2=8.481 assign ( resid 19 and name HG2# ) ( resid 20 and name HN or resid 30 and name HN or resid 64 and name HD21 or resid 101 and name HN ) 3.9 0.8 0.8 volume=0.985 peak=1431 ppm1=1.176 ppm2=7.990 assign ( resid 19 and name HG2# ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.6 0.7 0.7 volume=1.475 peak=1432 ppm1=1.169 ppm2=8.116 assign ( resid 37 and name HG2# ) ( resid 20 and name HN or resid 30 and name HN or resid 37 and name HN or resid 77 and name HN or resid 101 and name HN ) 3.8 0.8 0.8 volume=1.011 peak=1433 ppm1=1.093 ppm2=8.026 assign ( resid 37 and name HG1# ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.8 0.8 0.8 volume=0.998 peak=1434 ppm1=1.258 ppm2=8.134 assign ( resid 37 and name HG1# ) ( resid 25 and name HN or resid 34 and name HN or resid 38 and name HN or resid 63 and name HN or resid 67 and name HN or resid 81 and name HN ) 3.7 0.7 0.7 volume=1.216 peak=1435 ppm1=1.259 ppm2=8.449 assign ( resid 37 and name HG1# ) ( resid 20 and name HN or resid 30 and name HN or resid 37 and name HN or resid 77 and name HN or resid 101 and name HN ) 4.1 0.8 0.8 volume=0.660 peak=1436 ppm1=1.261 ppm2=8.023 assign ( resid 37 and name HG1# ) ( resid 40 and name HN or resid 66 and name HN or resid 74 and name HN ) 3.9 0.8 0.8 volume=0.850 peak=1437 ppm1=1.262 ppm2=9.046 assign ( resid 65 and name HG1# ) ( resid 66 and name HN or resid 74 and name HN ) 3.5 0.7 0.7 volume=1.649 peak=1438 ppm1=1.046 ppm2=9.064 assign ( resid 65 and name HG1# ) ( resid 13 and name HN or resid 18 and name HN or resid 32 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.1 0.6 0.6 volume=3.853 peak=1439 ppm1=1.045 ppm2=8.589 assign ( resid 19 and name HG2# ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 92 and name HA or resid 106 and name HA ) 4.2 0.8 0.8 volume=0.555 peak=1440 ppm1=1.169 ppm2=4.375 assign ( resid 19 and name HG2# ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 58 and name HA or resid 81 and name HA or resid 102 and name HA ) 3.4 0.7 0.7 volume=2.146 peak=1441 ppm1=1.170 ppm2=4.198 assign ( resid 37 and name HG2# ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.9 0.8 0.8 volume=0.874 peak=1442 ppm1=1.093 ppm2=4.310 assign ( resid 37 and name HG2# ) ( resid 37 and name HA or resid 53 and name HA or resid 65 and name HA or resid 80 and name HA1 or resid 88 and name HA or resid 107 and name HA ) 3.3 0.7 0.7 volume=2.525 peak=1443 ppm1=1.090 ppm2=4.026 assign ( resid 21 and name HD1# ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 4.9 1.0 1.0 volume=0.245 peak=1444 ppm1=0.597 ppm2=3.461 assign ( resid 21 and name HD1# ) ( resid 6 and name HB2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 ) 4.4 0.9 0.9 volume=0.437 peak=1445 ppm1=0.596 ppm2=3.210 assign ( resid 19 and name HG2# ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 44 and name HD2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) 4.6 0.9 0.9 volume=0.325 peak=1446 ppm1=1.162 ppm2=3.180 assign ( resid 19 and name HG2# ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 4.5 0.9 0.9 volume=0.374 peak=1447 ppm1=1.157 ppm2=2.881 assign ( resid 19 and name HG2# ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 4.5 0.9 0.9 volume=0.410 peak=1448 ppm1=1.172 ppm2=2.441 assign ( resid 19 and name HG2# ) ( resid 3 and name HD3 or resid 32 and name HB or resid 44 and name HD3 or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 4.6 0.9 0.9 volume=0.344 peak=1449 ppm1=1.165 ppm2=3.122 assign ( resid 19 and name HG2# ) ( resid 23 and name HA or resid 44 and name HA ) 4.6 0.9 0.9 volume=0.362 peak=1450 ppm1=1.172 ppm2=5.146 assign ( resid 19 and name HG2# ) ( resid 19 and name HA or resid 71 and name HA ) 3.9 0.8 0.8 volume=0.939 peak=1451 ppm1=1.165 ppm2=5.000 assign ( resid 90 and name HD1# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 3.8 0.8 0.8 volume=1.128 peak=1452 ppm1=0.744 ppm2=8.879 assign ( resid 90 and name HD1# ) ( resid 7 and name HN or resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 91 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN or resid 105 and name HN ) 4.3 0.9 0.9 volume=0.516 peak=1453 ppm1=0.741 ppm2=8.261 assign ( resid 90 and name HD1# ) ( resid 48 and name HD21 or resid 85 and name HN or resid 88 and name HN ) 4.5 0.9 0.9 volume=0.397 peak=1454 ppm1=0.743 ppm2=7.792 assign ( resid 90 and name HD1# ) ( resid 11 and name HN or resid 36 and name HN or resid 89 and name HN ) 3.9 0.8 0.8 volume=0.898 peak=1455 ppm1=0.739 ppm2=8.744 assign ( resid 37 and name HG2# ) ( resid 36 and name HN ) 4.6 0.9 0.9 volume=0.336 peak=1456 ppm1=1.089 ppm2=8.713 assign ( resid 37 and name HG2# ) ( resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.9 0.8 0.8 volume=0.925 peak=1457 ppm1=1.093 ppm2=8.455 assign ( resid 17 and name HG2# or resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN or resid 107 and name HN ) 4.8 1.0 1.0 volume=0.277 peak=1458 ppm1=0.922 ppm2=7.725 assign ( resid 79 and name HD2# ) ( resid 18 and name HE21 or resid 68 and name HD21 or resid 80 and name HN or resid 107 and name HN ) 3.9 0.8 0.8 volume=0.938 peak=1459 ppm1=0.873 ppm2=7.730 assign ( resid 79 and name HD2# ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE ) 3.8 0.8 0.8 volume=1.147 peak=1460 ppm1=0.876 ppm2=7.646 assign ( resid 43 and name HG1# ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 4.1 0.8 0.8 volume=0.640 peak=1461 ppm1=0.455 ppm2=8.132 assign ( resid 43 and name HG1# ) ( resid 8 and name HN or resid 20 and name HN or resid 64 and name HD21 or resid 101 and name HN ) 4.5 0.9 0.9 volume=0.396 peak=1462 ppm1=0.449 ppm2=7.975 assign ( resid 43 and name HG1# ) ( resid 44 and name HN or resid 84 and name HN or resid 88 and name HE or resid 91 and name HD21 or resid 95 and name HD22 ) 4.2 0.8 0.8 volume=0.551 peak=1463 ppm1=0.460 ppm2=7.598 assign ( resid 43 and name HG1# ) ( resid 4 and name HD2 or resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 95 and name HD21 ) 4.4 0.9 0.9 volume=0.518 peak=1464 ppm1=0.458 ppm2=6.921 assign ( resid 65 and name HG1# ) ( resid 41 and name HA or resid 64 and name HA ) 3.8 0.8 0.8 volume=1.075 peak=1465 ppm1=1.045 ppm2=5.051 assign ( resid 67 and name HG2# or resid 67 and name HG1# or resid 107 and name HG1# or resid 107 and name HG2# ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 90 and name HA or resid 94 and name HA ) 4.3 0.9 0.9 volume=0.535 peak=1466 ppm1=0.919 ppm2=4.409 assign ( resid 43 and name HG1# ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 94 and name HA or resid 106 and name HA ) 4.6 0.9 0.9 volume=0.349 peak=1467 ppm1=0.455 ppm2=4.381 assign ( resid 37 and name HG1# ) ( resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 60 and name HA or resid 77 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 4.5 0.9 0.9 volume=0.377 peak=1468 ppm1=1.263 ppm2=4.307 assign ( resid 79 and name HD2# ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 2.8 0.6 0.6 volume=6.127 peak=1469 ppm1=0.874 ppm2=4.271 assign ( resid 43 and name HG1# ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 4.7 0.9 0.9 volume=0.315 peak=1470 ppm1=0.457 ppm2=4.267 assign ( resid 37 and name HG1# ) ( resid 37 and name HA or resid 53 and name HA or resid 65 and name HA or resid 80 and name HA1 or resid 88 and name HA or resid 107 and name HA ) 3.6 0.7 0.7 volume=1.397 peak=1471 ppm1=1.256 ppm2=4.022 assign ( resid 43 and name HG1# ) ( resid 12 and name HA or resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 4.1 0.8 0.8 volume=0.644 peak=1472 ppm1=0.457 ppm2=3.726 assign ( resid 90 and name HD1# ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 16 and name HA1 or resid 52 and name HA1 or resid 74 and name HA or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB2 ) 3.6 0.7 0.7 volume=1.442 peak=1473 ppm1=0.746 ppm2=3.849 assign ( resid 90 and name HD1# ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 94 and name HA ) 3.0 0.6 0.6 volume=4.204 peak=1474 ppm1=0.746 ppm2=4.396 assign ( resid 65 and name HG1# ) ( resid 37 and name HA or resid 53 and name HA or resid 65 and name HA or resid 80 and name HA1 or resid 93 and name HA2 ) 3.3 0.7 0.7 volume=2.434 peak=1475 ppm1=1.039 ppm2=4.004 assign ( resid 19 and name HG2# ) ( resid 2 and name HA or resid 4 and name HA or resid 16 and name HA2 or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 4.2 0.8 0.8 volume=0.568 peak=1476 ppm1=1.171 ppm2=4.546 assign ( resid 43 and name HG1# ) ( resid 24 and name HA or resid 52 and name HA2 or resid 87 and name HD2 ) 4.3 0.9 0.9 volume=0.481 peak=1477 ppm1=0.451 ppm2=4.136 assign ( resid 43 and name HG1# ) ( resid 15 and name HD3 or resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 4.0 0.8 0.8 volume=0.805 peak=1478 ppm1=0.456 ppm2=3.620 assign ( resid 12 and name HD1# ) ( resid 12 and name HA or resid 28 and name HA2 or resid 42 and name HA ) 3.3 0.7 0.7 volume=2.353 peak=1479 ppm1=0.617 ppm2=3.753 assign ( resid 12 and name HD1# ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA or resid 106 and name HA ) 5.6 1.1 1.1 volume=0.100 peak=1480 ppm1=0.623 ppm2=4.319 assign ( resid 12 and name HD1# ) ( resid 41 and name HA or resid 64 and name HA or resid 73 and name HA or resid 87 and name HA ) 4.5 0.9 0.9 volume=0.365 peak=1481 ppm1=0.619 ppm2=5.086 assign ( resid 43 and name HG1# ) ( resid 19 and name HA or resid 64 and name HA or resid 71 and name HA ) 4.7 0.9 0.9 volume=0.299 peak=1482 ppm1=0.456 ppm2=5.016 assign ( resid 37 and name HG1# ) ( resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 4.0 0.8 0.8 volume=0.813 peak=1483 ppm1=1.257 ppm2=3.438 assign ( resid 37 and name HG1# ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 44 and name HD2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) 4.6 0.9 0.9 volume=0.356 peak=1484 ppm1=1.255 ppm2=3.180 assign ( resid 65 and name HG1# ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 27 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 68 and name HB3 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 4.2 0.8 0.8 volume=0.621 peak=1485 ppm1=1.044 ppm2=2.976 assign ( resid 37 and name HG1# ) ( resid 15 and name HG2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB2 or resid 102 and name HG2 or resid 102 and name HG3 ) 3.4 0.7 0.7 volume=2.014 peak=1486 ppm1=1.258 ppm2=2.187 assign ( resid 37 and name HG1# ) ( resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 79 and name HB3 or resid 83 and name HB3 or resid 99 and name HB2 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 4.0 0.8 0.8 volume=0.772 peak=1487 ppm1=1.259 ppm2=1.693 assign ( resid 65 and name HG1# ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 2.8 0.6 0.6 volume=6.873 peak=1488 ppm1=1.043 ppm2=2.001 assign ( resid 79 and name HD2# ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 2.9 0.6 0.6 volume=5.192 peak=1489 ppm1=0.874 ppm2=1.764 assign ( resid 43 and name HG1# ) ( resid 43 and name HG2# ) 4.0 0.8 0.8 volume=2.206 peak=1490 ppm1=0.454 ppm2=-0.109 assign ( resid 37 and name HG1# ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 44 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 89 and name HB or resid 102 and name HB3 ) 4.0 0.8 0.8 volume=0.757 peak=1491 ppm1=1.260 ppm2=1.913 assign ( resid 65 and name HG1# ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 4.1 0.8 0.8 volume=0.706 peak=1492 ppm1=1.048 ppm2=1.789 assign ( resid 65 and name HG1# ) ( resid 8 and name HG or resid 15 and name HG3 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 79 and name HB3 or resid 83 and name HB3 or resid 92 and name HB2 or resid 97 and name HB2 or resid 99 and name HB3 ) 3.8 0.8 0.8 volume=1.048 peak=1493 ppm1=1.042 ppm2=1.642 assign ( resid 79 and name HD2# ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.7 0.7 0.7 volume=1.239 peak=1494 ppm1=0.873 ppm2=1.502 assign ( resid 43 and name HG1# ) ( resid 13 and name HG3 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 99 and name HG2 or resid 99 and name HG3 ) 3.7 0.7 0.7 volume=1.298 peak=1495 ppm1=0.459 ppm2=1.530 assign ( resid 12 and name HD1# ) ( resid 12 and name HG or resid 55 and name HB# or resid 59 and name HG12 or resid 83 and name HG3 ) 3.3 0.7 0.7 volume=2.887 peak=1496 ppm1=0.624 ppm2=1.315 assign ( resid 12 and name HD1# ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.4 0.7 0.7 volume=2.038 peak=1497 ppm1=0.622 ppm2=1.784 assign ( resid 90 and name HD1# ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 38 and name HB2 or resid 39 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 83 and name HB2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 4.4 0.9 0.9 volume=0.473 peak=1498 ppm1=0.743 ppm2=1.954 assign ( resid 90 and name HD1# ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 4.8 1.0 1.0 volume=0.269 peak=1499 ppm1=0.743 ppm2=1.489 assign ( resid 12 and name HD1# ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 78 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 107 and name HB ) 3.6 0.7 0.7 volume=1.478 peak=1500 ppm1=0.625 ppm2=2.124 assign ( resid 12 and name HD1# ) ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 3.5 0.7 0.7 volume=1.835 peak=1501 ppm1=0.622 ppm2=2.678 assign ( resid 12 and name HD1# ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 4.3 0.9 0.9 volume=0.534 peak=1502 ppm1=0.624 ppm2=2.438 assign ( resid 12 and name HD1# ) ( resid 10 and name HG3 or resid 34 and name HB3 or resid 40 and name HE2 ) 4.4 0.9 0.9 volume=0.424 peak=1503 ppm1=0.616 ppm2=2.570 assign ( resid 12 and name HD1# ) ( resid 12 and name HN ) 3.6 0.7 0.7 volume=1.397 peak=1504 ppm1=0.621 ppm2=9.518 assign ( resid 12 and name HD1# ) ( resid 47 and name HN or resid 86 and name HN ) 4.3 0.9 0.9 volume=0.539 peak=1505 ppm1=0.622 ppm2=8.835 assign ( resid 12 and name HD1# ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 4.5 0.9 0.9 volume=0.394 peak=1506 ppm1=0.623 ppm2=8.549 assign ( resid 12 and name HD1# ) ( resid 7 and name HN or resid 10 and name HN or resid 26 and name HN or resid 105 and name HN ) 4.4 0.9 0.9 volume=0.433 peak=1507 ppm1=0.622 ppm2=8.324 assign ( resid 12 and name HD1# ) ( resid 68 and name HD21 or resid 80 and name HN or resid 85 and name HN or resid 107 and name HN ) 4.5 0.9 0.9 volume=0.382 peak=1508 ppm1=0.621 ppm2=7.763 assign ( resid 17 and name HG2# or resid 17 and name HG1# ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.5 0.7 0.7 volume=1.890 peak=1509 ppm1=0.956 ppm2=8.222 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 23 and name HA or resid 44 and name HA or resid 68 and name HA ) 4.0 0.8 0.8 volume=0.801 peak=1510 ppm1=0.923 ppm2=5.176 assign ( resid 45 and name HG2# ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.8 0.8 0.8 volume=1.075 peak=1511 ppm1=0.794 ppm2=1.966 assign ( resid 45 and name HG2# ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.5 0.7 0.7 volume=1.619 peak=1512 ppm1=0.797 ppm2=2.431 assign ( resid 17 and name HG2# or resid 17 and name HG1# ) ( resid 17 and name HB or resid 54 and name HB2 or resid 75 and name HB3 or resid 75 and name HB2 ) 2.8 0.6 0.6 volume=6.530 peak=1513 ppm1=0.958 ppm2=2.263 assign ( resid 17 and name HG2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 107 and name HG1# or resid 107 and name HG2# ) ( resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB2 or resid 87 and name HB3 or resid 102 and name HG3 ) 2.8 0.6 0.6 volume=6.590 peak=1514 ppm1=0.921 ppm2=2.179 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 65 and name HG2# ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 2.8 0.6 0.6 volume=6.529 peak=1515 ppm1=0.967 ppm2=2.001 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 65 and name HG2# ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 ) 4.2 0.8 0.8 volume=0.594 peak=1516 ppm1=0.966 ppm2=3.195 assign ( resid 45 and name HG2# ) ( resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 ) 3.9 0.8 0.8 volume=0.930 peak=1517 ppm1=0.797 ppm2=2.941 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 65 and name HG2# ) ( resid 37 and name HA or resid 53 and name HA or resid 65 and name HA or resid 80 and name HA1 or resid 93 and name HA2 ) 3.4 0.7 0.7 volume=2.101 peak=1518 ppm1=0.970 ppm2=4.002 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 65 and name HG2# ) ( resid 3 and name HA or resid 5 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.2 0.6 0.6 volume=3.129 peak=1519 ppm1=0.953 ppm2=4.258 assign ( resid 45 and name HG2# ) ( resid 21 and name HA or resid 45 and name HA ) 3.5 0.7 0.7 volume=1.646 peak=1520 ppm1=0.797 ppm2=5.272 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 65 and name HG2# ) ( resid 13 and name HN or resid 18 and name HN or resid 32 and name HN or resid 58 and name HN or resid 65 and name HN ) 3.4 0.7 0.7 volume=2.155 peak=1521 ppm1=0.969 ppm2=8.590 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 65 and name HG2# ) ( resid 66 and name HN or resid 74 and name HN ) 3.4 0.7 0.7 volume=2.076 peak=1522 ppm1=0.971 ppm2=9.068 assign ( resid 43 and name HG2# ) ( resid 22 and name HN or resid 72 and name HN ) 4.0 0.8 0.8 volume=0.824 peak=1523 ppm1=-0.115 ppm2=9.327 assign ( resid 43 and name HG2# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 4.5 0.9 0.9 volume=0.369 peak=1524 ppm1=-0.111 ppm2=8.880 assign ( resid 43 and name HG2# ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.6 0.7 0.7 volume=1.525 peak=1525 ppm1=-0.115 ppm2=8.126 assign ( resid 43 and name HG2# ) ( resid 20 and name HN or resid 30 and name HN or resid 37 and name HN or resid 101 and name HN ) 4.5 0.9 0.9 volume=0.380 peak=1526 ppm1=-0.121 ppm2=7.997 assign ( resid 43 and name HG2# ) ( resid 41 and name HN or resid 44 and name HN or resid 57 and name HN or resid 79 and name HN or resid 88 and name HE or resid 95 and name HD22 ) 4.6 0.9 0.9 volume=0.363 peak=1527 ppm1=-0.115 ppm2=7.622 assign ( resid 45 and name HG2# ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.9 0.8 0.8 volume=0.985 peak=1528 ppm1=0.798 ppm2=8.136 assign ( resid 45 and name HG2# ) ( resid 20 and name HN or resid 30 and name HN or resid 64 and name HD21 or resid 101 and name HN ) 4.3 0.9 0.9 volume=0.519 peak=1529 ppm1=0.795 ppm2=7.991 assign ( resid 45 and name HG2# ) ( resid 48 and name HD21 or resid 85 and name HN or resid 88 and name HN or resid 107 and name HN ) 4.3 0.9 0.9 volume=0.513 peak=1530 ppm1=0.795 ppm2=7.789 assign ( resid 70 and name HB# ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 4.1 0.8 0.8 volume=0.631 peak=1531 ppm1=1.012 ppm2=8.134 assign ( resid 43 and name HG2# ) ( resid 14 and name HE22 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HD# or resid 91 and name HD22 or resid 95 and name HD21 or resid 100 and name HD2 ) 4.2 0.8 0.8 volume=0.670 peak=1532 ppm1=-0.122 ppm2=6.952 assign ( resid 43 and name HG2# ) ( resid 23 and name HA or resid 30 and name HA or resid 68 and name HA ) 4.7 0.9 0.9 volume=0.291 peak=1533 ppm1=-0.100 ppm2=5.207 assign ( resid 43 and name HG2# ) ( resid 19 and name HA or resid 71 and name HA ) 3.8 0.8 0.8 volume=0.995 peak=1534 ppm1=-0.116 ppm2=5.013 assign ( resid 43 and name HG2# ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 24 and name HA or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 52 and name HA2 or resid 55 and name HA or resid 80 and name HA2 or resid 87 and name HD2 or resid 88 and name HA ) 4.5 0.9 0.9 volume=0.387 peak=1535 ppm1=-0.120 ppm2=4.090 assign ( resid 43 and name HG2# ) ( resid 12 and name HA or resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 4.0 0.8 0.8 volume=0.825 peak=1536 ppm1=-0.115 ppm2=3.730 assign ( resid 43 and name HG2# ) ( resid 15 and name HD3 or resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.9 0.8 0.8 volume=0.968 peak=1537 ppm1=-0.124 ppm2=3.606 assign ( resid 43 and name HG2# ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 4.5 0.9 0.9 volume=0.378 peak=1538 ppm1=-0.121 ppm2=1.990 assign ( resid 43 and name HG2# ) ( resid 8 and name HB2 or resid 12 and name HB3 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 103 and name HB3 or resid 104 and name HD2 or resid 104 and name HD3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 or resid 106 and name HB3 ) 4.0 0.8 0.8 volume=0.808 peak=1539 ppm1=-0.113 ppm2=1.724 assign ( resid 43 and name HG2# ) ( resid 13 and name HG3 or resid 21 and name HG or resid 21 and name HB2 or resid 22 and name HG or resid 22 and name HB3 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HB3 ) 3.4 0.7 0.7 volume=2.066 peak=1540 ppm1=-0.114 ppm2=1.553 assign ( resid 43 and name HG2# ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 3.8 0.8 0.8 volume=2.170 peak=1541 ppm1=-0.114 ppm2=1.023 assign ( resid 43 and name HG2# ) ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 5.0 1.0 1.0 volume=0.393 peak=1542 ppm1=-0.112 ppm2=0.794 assign ( resid 43 and name HG2# ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 59 and name HD1# ) 4.5 0.9 0.9 volume=1.168 peak=1543 ppm1=-0.113 ppm2=0.590 assign ( resid 43 and name HG2# ) ( resid 43 and name HG1# ) 4.2 0.8 0.8 volume=1.752 peak=1544 ppm1=-0.113 ppm2=0.459 assign ( resid 70 and name HB# ) ( resid 43 and name HG2# ) 4.3 0.9 0.9 volume=1.639 peak=1545 ppm1=1.016 ppm2=-0.108 assign ( resid 70 and name HB# ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 59 and name HD1# ) 4.3 0.9 0.9 volume=1.537 peak=1546 ppm1=1.017 ppm2=0.594 assign ( resid 70 and name HB# ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.5 0.7 0.7 volume=1.710 peak=1547 ppm1=1.016 ppm2=1.572 assign ( resid 70 and name HB# ) ( resid 22 and name HD1# or resid 40 and name HB3 or resid 55 and name HB# or resid 87 and name HG3 ) 3.8 0.8 0.8 volume=1.508 peak=1548 ppm1=1.011 ppm2=1.368 assign ( resid 70 and name HB# ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 4.5 0.9 0.9 volume=0.377 peak=1549 ppm1=1.016 ppm2=4.265 assign ( resid 70 and name HB# ) ( resid 2 and name HA or resid 34 and name HA or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.5 0.7 0.7 volume=1.646 peak=1550 ppm1=1.016 ppm2=4.526 assign ( resid 43 and name HG2# ) ( resid 1 and name HB3 or resid 2 and name HB2 or resid 31 and name HD3 or resid 49 and name HA or resid 93 and name HA2 or resid 93 and name HA1 ) 4.9 1.0 1.0 volume=0.244 peak=1551 ppm1=-0.119 ppm2=3.946 assign ( resid 43 and name HG2# ) ( resid 2 and name HA or resid 4 and name HA or resid 34 and name HA or resid 69 and name HA or resid 70 and name HA or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 4.8 1.0 1.0 volume=0.277 peak=1552 ppm1=-0.108 ppm2=4.535 assign ( resid 43 and name HG2# ) ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 40 and name HE2 or resid 58 and name HB2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 77 and name HB2 or resid 77 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 4.4 0.9 0.9 volume=0.432 peak=1553 ppm1=-0.110 ppm2=2.627 assign ( resid 43 and name HG2# ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 4.9 1.0 1.0 volume=0.244 peak=1554 ppm1=-0.121 ppm2=2.148 assign ( resid 70 and name HB# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 4.0 0.8 0.8 volume=0.815 peak=1555 ppm1=1.014 ppm2=8.873 assign ( resid 70 and name HB# ) ( resid 16 and name HN or resid 17 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 100 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.6 0.7 0.7 volume=1.399 peak=1556 ppm1=1.017 ppm2=8.231 assign ( resid 70 and name HB# ) ( resid 22 and name HN or resid 72 and name HN ) 4.6 0.9 0.9 volume=0.355 peak=1557 ppm1=1.015 ppm2=9.307 assign ( resid 55 and name HB# ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 101 and name HZ ) 3.1 0.6 0.6 volume=4.112 peak=1558 ppm1=1.339 ppm2=7.323 assign ( resid 70 and name HB# ) ( resid 21 and name HA or resid 30 and name HA or resid 45 and name HA ) 4.7 0.9 0.9 volume=0.316 peak=1559 ppm1=1.009 ppm2=5.240 assign ( resid 55 and name HB# ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 88 and name HN or resid 100 and name HE1 ) 3.9 0.8 0.8 volume=0.954 peak=1560 ppm1=1.337 ppm2=7.845 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 70 and name HN or resid 78 and name HN or resid 91 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 98 and name HN or resid 102 and name HN or resid 103 and name HN or resid 104 and name HN ) 3.1 0.6 0.6 volume=3.770 peak=1561 ppm1=0.942 ppm2=8.217 assign ( resid 67 and name HG2# or resid 67 and name HG1# or resid 89 and name HG2# ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 78 and name HN or resid 92 and name HN ) 3.3 0.7 0.7 volume=2.482 peak=1562 ppm1=0.907 ppm2=8.194 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 67 and name HG1# ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 3.4 0.7 0.7 volume=2.241 peak=1563 ppm1=0.945 ppm2=8.603 assign ( resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.3 0.7 0.7 volume=2.337 peak=1564 ppm1=0.908 ppm2=8.479 assign ( resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 24 and name HN or resid 40 and name HN ) 3.5 0.7 0.7 volume=1.865 peak=1565 ppm1=0.906 ppm2=9.007 assign ( resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 23 and name HA or resid 44 and name HA or resid 68 and name HA ) 3.4 0.7 0.7 volume=2.182 peak=1566 ppm1=0.907 ppm2=5.173 assign ( resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 90 and name HA or resid 94 and name HA ) 3.0 0.6 0.6 volume=4.400 peak=1567 ppm1=0.906 ppm2=4.410 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 67 and name HG1# ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 94 and name HA or resid 106 and name HA ) 3.7 0.7 0.7 volume=1.230 peak=1568 ppm1=0.945 ppm2=4.386 assign ( resid 55 and name HB# ) ( resid 40 and name HA or resid 51 and name HA or resid 57 and name HA or resid 61 and name HA ) 4.2 0.8 0.8 volume=0.575 peak=1569 ppm1=1.344 ppm2=4.783 assign ( resid 55 and name HB# ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 1 and name HB3 or resid 2 and name HB3 or resid 2 and name HB2 or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 94 and name HB3 ) 4.2 0.8 0.8 volume=0.567 peak=1570 ppm1=1.334 ppm2=3.898 assign ( resid 55 and name HB# ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 2.9 0.6 0.6 volume=5.076 peak=1571 ppm1=1.334 ppm2=4.064 assign ( resid 55 and name HB# ) ( resid 3 and name HA or resid 5 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 102 and name HA or resid 103 and name HA ) 3.4 0.7 0.7 volume=2.015 peak=1572 ppm1=1.334 ppm2=4.246 assign ( resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 24 and name HA or resid 31 and name HD2 or resid 52 and name HA2 or resid 80 and name HA2 or resid 87 and name HD2 ) 3.4 0.7 0.7 volume=1.913 peak=1573 ppm1=0.908 ppm2=4.121 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.4 0.7 0.7 volume=2.232 peak=1574 ppm1=0.934 ppm2=4.270 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 67 and name HG2# or resid 67 and name HG1# ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 11 and name HA or resid 16 and name HA1 or resid 74 and name HA or resid 78 and name HA or resid 94 and name HB2 ) 4.0 0.8 0.8 volume=0.775 peak=1575 ppm1=0.941 ppm2=3.824 assign ( resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.6 0.7 0.7 volume=1.449 peak=1576 ppm1=0.903 ppm2=3.468 assign ( resid 55 and name HB# ) ( resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 27 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 68 and name HB3 or resid 72 and name HB3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 4.4 0.9 0.9 volume=0.441 peak=1577 ppm1=1.338 ppm2=2.981 assign ( resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 6 and name HB2 or resid 13 and name HE2 or resid 30 and name HB3 or resid 46 and name HB2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 76 and name HB2 ) 4.3 0.9 0.9 volume=0.531 peak=1578 ppm1=0.905 ppm2=3.209 assign ( resid 55 and name HB# ) ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG3 or resid 75 and name HG2 ) 4.3 0.9 0.9 volume=0.510 peak=1579 ppm1=1.340 ppm2=2.375 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 13 and name HB2 or resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG2 ) 3.3 0.7 0.7 volume=2.468 peak=1580 ppm1=0.942 ppm2=2.364 assign ( resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 47 and name HG3 or resid 47 and name HG2 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.0 0.6 0.6 volume=4.060 peak=1581 ppm1=0.906 ppm2=2.373 assign ( resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB2 or resid 87 and name HB3 or resid 102 and name HG3 ) 2.9 0.6 0.6 volume=5.672 peak=1582 ppm1=0.905 ppm2=2.176 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 17 and name HB or resid 54 and name HB2 or resid 75 and name HB3 or resid 75 and name HB2 ) 2.7 0.5 0.5 volume=8.327 peak=1583 ppm1=0.939 ppm2=2.273 assign ( resid 67 and name HG2# or resid 67 and name HG1# or resid 89 and name HG2# ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 38 and name HB2 or resid 39 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 83 and name HB2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.2 0.6 0.6 volume=3.293 peak=1584 ppm1=0.919 ppm2=1.955 assign ( resid 67 and name HG2# or resid 67 and name HG1# or resid 89 and name HG2# ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 3.5 0.7 0.7 volume=1.814 peak=1585 ppm1=0.916 ppm2=1.763 assign ( resid 32 and name HG2# ) ( resid 8 and name HG or resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 78 and name HB2 or resid 79 and name HB3 or resid 83 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.7 0.7 0.7 volume=1.238 peak=1586 ppm1=0.954 ppm2=1.669 assign ( resid 67 and name HG2# or resid 67 and name HG1# or resid 89 and name HG2# ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.6 0.7 0.7 volume=1.598 peak=1587 ppm1=0.914 ppm2=1.599 assign ( resid 67 and name HG2# or resid 67 and name HG1# or resid 89 and name HG2# ) ( resid 8 and name HB3 or resid 29 and name HD3 or resid 44 and name HG3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.4 0.7 0.7 volume=2.173 peak=1588 ppm1=0.916 ppm2=1.425 assign ( resid 32 and name HG2# ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 43 and name HB or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HB3 ) 3.4 0.7 0.7 volume=2.035 peak=1589 ppm1=0.952 ppm2=1.560 assign ( resid 32 and name HG2# ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 ) 3.7 0.7 0.7 volume=1.264 peak=1590 ppm1=0.954 ppm2=1.791 assign ( resid 32 and name HG2# ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 37 and name HB or resid 60 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.7 0.7 0.7 volume=1.282 peak=1591 ppm1=0.952 ppm2=2.146 assign ( resid 67 and name HG2# or resid 67 and name HG1# ) ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 3.8 0.8 0.8 volume=1.013 peak=1592 ppm1=0.908 ppm2=2.644 assign ( resid 67 and name HG2# or resid 67 and name HG1# or resid 89 and name HG2# ) ( resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 ) 3.9 0.8 0.8 volume=0.967 peak=1593 ppm1=0.904 ppm2=2.929 assign ( resid 67 and name HG2# or resid 67 and name HG1# or resid 89 and name HG2# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 4.3 0.9 0.9 volume=0.476 peak=1594 ppm1=0.914 ppm2=8.874 assign ( resid 67 and name HG2# or resid 67 and name HG1# or resid 89 and name HG2# ) ( resid 11 and name HN or resid 36 and name HN or resid 89 and name HN ) 4.0 0.8 0.8 volume=0.781 peak=1595 ppm1=0.917 ppm2=8.746 assign ( resid 32 and name HG2# ) ( resid 3 and name HD3 or resid 32 and name HB or resid 44 and name HD3 or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 3.4 0.7 0.7 volume=2.141 peak=1596 ppm1=0.948 ppm2=3.125 assign ( resid 32 and name HG2# ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 4.0 0.8 0.8 volume=0.812 peak=1597 ppm1=0.952 ppm2=3.007 assign ( resid 32 and name HG2# ) ( resid 3 and name HA or resid 5 and name HA or resid 19 and name HB or resid 27 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 81 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.4 0.7 0.7 volume=1.983 peak=1598 ppm1=0.950 ppm2=4.218 assign ( resid 32 and name HG2# ) ( resid 14 and name HE21 or resid 33 and name HN or resid 41 and name HN or resid 57 and name HN or resid 79 and name HN ) 4.0 0.8 0.8 volume=0.814 peak=1599 ppm1=0.953 ppm2=7.665 assign ( resid 59 and name HG2# ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 54 and name HN or resid 67 and name HN or resid 69 and name HN or resid 93 and name HN ) 3.8 0.8 0.8 volume=1.064 peak=1600 ppm1=1.075 ppm2=8.490 assign ( resid 32 and name HG2# ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 4.3 0.9 0.9 volume=0.503 peak=1601 ppm1=0.958 ppm2=8.626 assign ( resid 59 and name HG2# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 3.6 0.7 0.7 volume=1.384 peak=1602 ppm1=1.079 ppm2=8.879 assign ( resid 59 and name HG2# ) ( resid 20 and name HN or resid 30 and name HN or resid 64 and name HD21 or resid 101 and name HN ) 4.6 0.9 0.9 volume=0.334 peak=1603 ppm1=1.073 ppm2=7.990 assign ( resid 59 and name HG2# ) ( resid 9 and name HA or resid 25 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 59 and name HA or resid 85 and name HA2 or resid 86 and name HA or resid 89 and name HA or resid 92 and name HA or resid 97 and name HA or resid 105 and name HA or resid 106 and name HA ) 3.6 0.7 0.7 volume=1.430 peak=1604 ppm1=1.078 ppm2=4.332 assign ( resid 59 and name HG2# ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 4.3 0.9 0.9 volume=0.510 peak=1605 ppm1=1.081 ppm2=4.057 assign ( resid 59 and name HG2# ) ( resid 3 and name HA or resid 5 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 32 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 102 and name HA or resid 103 and name HA ) 3.7 0.7 0.7 volume=1.242 peak=1606 ppm1=1.069 ppm2=4.250 assign ( resid 9 and name HG2# ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.0 0.6 0.6 volume=4.164 peak=1607 ppm1=0.876 ppm2=4.309 assign ( resid 59 and name HG2# ) ( resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 83 and name HE3 or resid 83 and name HE2 ) 4.1 0.8 0.8 volume=0.680 peak=1608 ppm1=1.074 ppm2=2.931 assign ( resid 59 and name HG2# ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 38 and name HB2 or resid 39 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 83 and name HB2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.4 0.7 0.7 volume=1.942 peak=1609 ppm1=1.074 ppm2=1.955 assign ( resid 59 and name HG2# ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 59 and name HD1# ) 3.9 0.8 0.8 volume=2.707 peak=1610 ppm1=1.076 ppm2=0.591 assign ( resid 9 and name HG2# ) ( resid 9 and name HN or resid 13 and name HN or resid 21 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.6 0.7 0.7 volume=1.372 peak=1611 ppm1=0.874 ppm2=8.538 assign ( resid 9 and name HG2# ) ( resid 7 and name HN or resid 10 and name HN or resid 26 and name HN or resid 105 and name HN ) 3.4 0.7 0.7 volume=2.147 peak=1612 ppm1=0.869 ppm2=8.316 assign ( resid 60 and name HG2# ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.3 0.7 0.7 volume=2.448 peak=1613 ppm1=0.890 ppm2=2.135 assign ( resid 9 and name HG2# ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 2.9 0.6 0.6 volume=5.174 peak=1614 ppm1=0.874 ppm2=1.778 assign ( resid 9 and name HG2# ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.1 0.6 0.6 volume=3.778 peak=1615 ppm1=0.874 ppm2=1.478 assign ( resid 9 and name HG2# ) ( resid 9 and name HG13 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HG2 or resid 42 and name HG2 ) 3.2 0.6 0.6 volume=3.419 peak=1616 ppm1=0.876 ppm2=1.128 assign ( resid 60 and name HG2# ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.6 0.7 0.7 volume=1.531 peak=1617 ppm1=0.888 ppm2=1.578 assign ( resid 9 and name HG2# or resid 60 and name HG2# ) ( resid 6 and name HB2 or resid 26 and name HB2 or resid 33 and name HB2 or resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 or resid 82 and name HA ) 4.1 0.8 0.8 volume=0.674 peak=1618 ppm1=0.892 ppm2=3.275 assign ( resid 9 and name HG2# or resid 60 and name HG2# ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 44 and name HD2 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 ) 4.7 0.9 0.9 volume=0.300 peak=1619 ppm1=0.887 ppm2=3.181 assign ( resid 60 and name HG2# ) ( resid 26 and name HB3 or resid 38 and name HD2 or resid 42 and name HE3 or resid 57 and name HB2 or resid 64 and name HB3 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 4.3 0.9 0.9 volume=0.475 peak=1620 ppm1=0.896 ppm2=2.832 assign ( resid 9 and name HG2# ) ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 40 and name HE2 or resid 71 and name HB3 or resid 72 and name HB2 or resid 98 and name HB2 ) 4.5 0.9 0.9 volume=0.403 peak=1621 ppm1=0.870 ppm2=2.618 assign ( resid 45 and name HG1# ) ( resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.6 0.7 0.7 volume=1.430 peak=1622 ppm1=0.636 ppm2=3.639 assign ( resid 45 and name HG1# ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 1 and name HB3 or resid 2 and name HB3 or resid 2 and name HB2 or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 94 and name HB3 ) 3.9 0.8 0.8 volume=0.873 peak=1623 ppm1=0.634 ppm2=3.898 assign ( resid 60 and name HG2# ) ( resid 3 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.2 0.6 0.6 volume=3.273 peak=1624 ppm1=0.891 ppm2=4.265 assign ( resid 45 and name HG1# ) ( resid 3 and name HA or resid 5 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 38 and name HA or resid 50 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 102 and name HA or resid 103 and name HA ) 3.7 0.7 0.7 volume=1.349 peak=1625 ppm1=0.638 ppm2=4.244 assign ( resid 45 and name HG1# ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 24 and name HA or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 52 and name HA2 or resid 55 and name HA or resid 80 and name HA2 or resid 87 and name HD2 or resid 88 and name HA ) 4.4 0.9 0.9 volume=0.474 peak=1626 ppm1=0.638 ppm2=4.090 assign ( resid 45 and name HG1# ) ( resid 21 and name HA or resid 45 and name HA ) 3.7 0.7 0.7 volume=1.263 peak=1627 ppm1=0.636 ppm2=5.274 assign ( resid 45 and name HG1# ) ( resid 19 and name HA or resid 46 and name HA or resid 71 and name HA ) 4.4 0.9 0.9 volume=0.428 peak=1628 ppm1=0.645 ppm2=4.990 assign ( resid 45 and name HG1# ) ( resid 23 and name HA or resid 44 and name HA ) 4.5 0.9 0.9 volume=0.372 peak=1629 ppm1=0.635 ppm2=5.150 assign ( resid 60 and name HG2# ) ( resid 6 and name HN or resid 43 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 75 and name HN ) 3.7 0.7 0.7 volume=1.170 peak=1630 ppm1=0.891 ppm2=8.166 assign ( resid 45 and name HG1# ) ( resid 19 and name HN or resid 43 and name HN or resid 45 and name HN or resid 75 and name HN or resid 99 and name HN ) 3.3 0.7 0.7 volume=2.521 peak=1631 ppm1=0.639 ppm2=8.134 assign ( resid 45 and name HG1# ) ( resid 4 and name HE1 or resid 48 and name HD21 or resid 50 and name HN or resid 56 and name HN or resid 62 and name HN or resid 100 and name HE1 ) 4.0 0.8 0.8 volume=0.785 peak=1632 ppm1=0.641 ppm2=7.855 assign ( resid 45 and name HG1# ) ( resid 46 and name HN ) 4.0 0.8 0.8 volume=0.792 peak=1633 ppm1=0.638 ppm2=9.738 assign ( resid 60 and name HG2# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 3.6 0.7 0.7 volume=1.408 peak=1634 ppm1=0.889 ppm2=8.883 assign ( resid 10 and name HE# ) ( resid 7 and name HN or resid 10 and name HN or resid 26 and name HN or resid 105 and name HN ) 3.6 0.7 0.7 volume=1.589 peak=1635 ppm1=2.128 ppm2=8.320 assign ( resid 10 and name HE# ) ( resid 41 and name HA or resid 64 and name HA or resid 73 and name HA or resid 87 and name HA ) 3.2 0.6 0.6 volume=3.237 peak=1636 ppm1=2.128 ppm2=5.095 assign ( resid 10 and name HE# ) ( resid 9 and name HA or resid 17 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.6 0.7 0.7 volume=1.363 peak=1637 ppm1=2.127 ppm2=4.303 assign ( resid 10 and name HE# ) ( resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 58 and name HA or resid 81 and name HA or resid 102 and name HA ) 3.5 0.7 0.7 volume=1.745 peak=1638 ppm1=2.124 ppm2=4.202 assign ( resid 45 and name HG1# ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 or resid 75 and name HG2 ) 3.3 0.7 0.7 volume=2.459 peak=1639 ppm1=0.637 ppm2=2.424 assign ( resid 45 and name HG1# ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.6 0.7 0.7 volume=1.516 peak=1640 ppm1=0.637 ppm2=1.999 !Commented out D. Neuhaus 29-11-07 !assign ( resid 45 and name HG1# ! ) ! ( resid 12 and name HG ! or resid 22 and name HD1# ! or resid 40 and name HB3 ! or resid 55 and name HB# ! or resid 59 and name HG12 ! ) 4.7 0.9 0.9 volume=0.417 peak=1641 ppm1=0.634 ppm2=1.346 assign ( resid 45 and name HG1# ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 4.0 0.8 0.8 volume=0.738 peak=1642 ppm1=0.632 ppm2=3.009 assign ( resid 45 and name HG1# ) ( resid 11 and name HB3 or resid 29 and name HE3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 4.1 0.8 0.8 volume=0.638 peak=1643 ppm1=0.639 ppm2=2.762 assign ( resid 45 and name HG1# ) ( resid 49 and name HN ) 4.6 0.9 0.9 volume=0.361 peak=1644 ppm1=0.633 ppm2=9.203 assign ( resid 45 and name HG1# ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 4.5 0.9 0.9 volume=0.365 peak=1645 ppm1=0.638 ppm2=8.610 assign ( resid 59 and name HD1# ) ( resid 43 and name HG2# ) 4.9 1.0 1.0 volume=0.701 peak=1646 ppm1=0.578 ppm2=-0.108 assign ( resid 59 and name HD1# ) ( resid 21 and name HB3 or resid 22 and name HD2# or resid 29 and name HB3 or resid 40 and name HD3 or resid 59 and name HG2# or resid 65 and name HG1# or resid 70 and name HB# ) 3.3 0.7 0.7 volume=4.172 peak=1647 ppm1=0.583 ppm2=1.046 assign ( resid 59 and name HD1# ) ( resid 8 and name HB2 or resid 12 and name HB3 or resid 25 and name HD2 or resid 25 and name HD3 or resid 31 and name HG2 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HD3 or resid 103 and name HD2 or resid 103 and name HB3 or resid 104 and name HD2 or resid 104 and name HD3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 or resid 106 and name HB3 ) 4.2 0.8 0.8 volume=0.625 peak=1648 ppm1=0.577 ppm2=1.721 assign ( resid 59 and name HD1# ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.7 0.7 0.7 volume=1.265 peak=1649 ppm1=0.580 ppm2=1.580 assign ( resid 59 and name HD1# ) ( resid 12 and name HG or resid 22 and name HD1# or resid 40 and name HB3 or resid 55 and name HB# or resid 59 and name HG12 ) 3.6 0.7 0.7 volume=2.116 peak=1650 ppm1=0.581 ppm2=1.344 assign ( resid 59 and name HD1# ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 40 and name HG3 or resid 59 and name HG13 or resid 83 and name HG2 ) 3.7 0.7 0.7 volume=1.455 peak=1651 ppm1=0.577 ppm2=1.240 assign ( resid 59 and name HD1# ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.8 0.8 0.8 volume=1.097 peak=1652 ppm1=0.582 ppm2=2.135 assign ( resid 59 and name HD1# ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.5 0.7 0.7 volume=1.796 peak=1653 ppm1=0.583 ppm2=1.960 assign ( resid 59 and name HD1# ) ( resid 20 and name HA1 or resid 27 and name HB2 or resid 56 and name HE3 or resid 56 and name HE2 or resid 68 and name HB3 or resid 83 and name HE3 or resid 83 and name HE2 ) 4.0 0.8 0.8 volume=0.742 peak=1654 ppm1=0.585 ppm2=2.932 assign ( resid 59 and name HD1# ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.8 0.8 0.8 volume=1.080 peak=1655 ppm1=0.580 ppm2=4.296 assign ( resid 59 and name HD1# ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 4.1 0.8 0.8 volume=0.637 peak=1656 ppm1=0.583 ppm2=4.068 assign ( resid 59 and name HD1# ) ( resid 45 and name HA ) 4.8 1.0 1.0 volume=0.253 peak=1657 ppm1=0.591 ppm2=5.296 assign ( resid 59 and name HD1# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 86 and name HN or resid 90 and name HN ) 4.2 0.8 0.8 volume=0.605 peak=1658 ppm1=0.580 ppm2=8.874 assign ( resid 59 and name HD1# ) ( resid 11 and name HN or resid 89 and name HN ) 4.8 1.0 1.0 volume=0.269 peak=1659 ppm1=0.581 ppm2=8.774 assign ( resid 59 and name HD1# ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 4.3 0.9 0.9 volume=0.508 peak=1660 ppm1=0.583 ppm2=8.483 assign ( resid 59 and name HD1# ) ( resid 6 and name HN or resid 17 and name HN or resid 61 and name HN or resid 68 and name HN or resid 70 and name HN or resid 78 and name HN or resid 92 and name HN or resid 96 and name HN or resid 97 and name HN or resid 102 and name HN or resid 104 and name HN ) 4.8 1.0 1.0 volume=0.251 peak=1661 ppm1=0.579 ppm2=8.205 assign ( resid 59 and name HD1# ) ( resid 8 and name HN or resid 20 and name HN or resid 64 and name HD21 or resid 101 and name HN ) 4.8 1.0 1.0 volume=0.272 peak=1662 ppm1=0.584 ppm2=7.977 assign ( resid 59 and name HD1# ) ( resid 48 and name HD21 or resid 85 and name HN or resid 88 and name HN ) 4.7 0.9 0.9 volume=0.301 peak=1663 ppm1=0.598 ppm2=7.795 assign ( resid 59 and name HD1# ) ( resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 4.8 1.0 1.0 volume=0.257 peak=1664 ppm1=0.584 ppm2=3.709 assign ( resid 59 and name HD1# ) ( resid 1 and name HB3 or resid 2 and name HB2 or resid 31 and name HD3 or resid 49 and name HA or resid 93 and name HA2 or resid 93 and name HA1 or resid 94 and name HB3 ) 4.7 0.9 0.9 volume=0.281 peak=1665 ppm1=0.576 ppm2=3.937 assign ( resid 60 and name HD1# ) ( resid 22 and name HD2# or resid 29 and name HB3 or resid 65 and name HG1# or resid 70 and name HB# ) 3.5 0.7 0.7 volume=3.655 peak=1666 ppm1=0.782 ppm2=1.031 assign ( resid 60 and name HD1# ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.6 0.7 0.7 volume=4.617 peak=1667 ppm1=0.778 ppm2=0.902 assign ( resid 60 and name HD1# ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.3 0.7 0.7 volume=2.492 peak=1668 ppm1=0.781 ppm2=1.581 assign ( resid 60 and name HD1# ) ( resid 22 and name HD1# or resid 40 and name HB3 or resid 55 and name HB# or resid 87 and name HG3 ) 4.0 0.8 0.8 volume=1.154 peak=1669 ppm1=0.779 ppm2=1.367 assign ( resid 60 and name HD1# ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.6 0.7 0.7 volume=1.659 peak=1670 ppm1=0.777 ppm2=2.137 assign ( resid 60 and name HD1# ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 5 and name HB2 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 53 and name HB2 or resid 53 and name HB3 or resid 82 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 or resid 106 and name HB2 ) 4.3 0.9 0.9 volume=0.491 peak=1671 ppm1=0.775 ppm2=1.889 assign ( resid 60 and name HD1# ) ( resid 26 and name HB2 or resid 33 and name HB2 or resid 36 and name HB3 or resid 41 and name HD2 or resid 41 and name HD3 or resid 82 and name HA ) 4.0 0.8 0.8 volume=0.797 peak=1672 ppm1=0.778 ppm2=3.279 assign ( resid 60 and name HD1# ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 38 and name HD2 or resid 42 and name HE3 or resid 57 and name HB2 or resid 64 and name HB3 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 4.1 0.8 0.8 volume=0.685 peak=1673 ppm1=0.780 ppm2=2.839 assign ( resid 60 and name HD1# ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.4 0.7 0.7 volume=2.196 peak=1674 ppm1=0.778 ppm2=4.287 assign ( resid 60 and name HD1# ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 24 and name HA or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 87 and name HD2 or resid 88 and name HA ) 4.0 0.8 0.8 volume=0.748 peak=1675 ppm1=0.785 ppm2=4.087 assign ( resid 60 and name HD1# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 4.1 0.8 0.8 volume=0.640 peak=1676 ppm1=0.778 ppm2=8.887 assign ( resid 60 and name HD1# ) ( resid 6 and name HN or resid 17 and name HN or resid 45 and name HN or resid 61 and name HN or resid 68 and name HN or resid 78 and name HN or resid 92 and name HN ) 4.4 0.9 0.9 volume=0.437 peak=1677 ppm1=0.787 ppm2=8.185 assign ( resid 60 and name HD1# ) ( resid 29 and name HN or resid 54 and name HE22 or resid 74 and name HZ2 or resid 84 and name HN or resid 91 and name HD21 ) 4.4 0.9 0.9 volume=0.417 peak=1678 ppm1=0.780 ppm2=7.549 assign ( resid 9 and name HD1# ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 3.7 0.7 0.7 volume=1.228 peak=1679 ppm1=0.827 ppm2=8.542 assign ( resid 9 and name HD1# ) ( resid 7 and name HN or resid 10 and name HN or resid 26 and name HN or resid 105 and name HN ) 3.7 0.7 0.7 volume=1.348 peak=1680 ppm1=0.824 ppm2=8.319 assign ( resid 9 and name HD1# ) ( resid 29 and name HN or resid 44 and name HN or resid 74 and name HZ2 or resid 84 and name HN or resid 91 and name HD21 or resid 95 and name HD22 ) 4.8 1.0 1.0 volume=0.254 peak=1681 ppm1=0.826 ppm2=7.567 assign ( resid 9 and name HD1# ) ( resid 6 and name HD# or resid 51 and name HE# or resid 71 and name HE# or resid 74 and name HZ3 or resid 74 and name HD1 or resid 74 and name HH2 or resid 101 and name HD# ) 4.8 1.0 1.0 volume=0.352 peak=1682 ppm1=0.823 ppm2=7.244 assign ( resid 9 and name HD1# ) ( resid 14 and name HE22 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) 4.6 0.9 0.9 volume=0.401 peak=1683 ppm1=0.824 ppm2=6.959 assign ( resid 9 and name HD1# ) ( resid 9 and name HA or resid 25 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 39 and name HA or resid 54 and name HA or resid 56 and name HA or resid 59 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 92 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA or resid 106 and name HA ) 3.4 0.7 0.7 volume=1.944 peak=1684 ppm1=0.823 ppm2=4.318 assign ( resid 9 and name HD1# ) ( resid 2 and name HA or resid 4 and name HA or resid 7 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 4.3 0.9 0.9 volume=0.492 peak=1685 ppm1=0.829 ppm2=4.584 assign ( resid 9 and name HD1# ) ( resid 11 and name HB3 or resid 29 and name HE3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 4.2 0.8 0.8 volume=0.628 peak=1686 ppm1=0.824 ppm2=2.756 assign ( resid 9 and name HD1# ) ( resid 7 and name HB2 or resid 58 and name HB2 or resid 61 and name HB3 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 4.1 0.8 0.8 volume=0.719 peak=1687 ppm1=0.823 ppm2=2.686 assign ( resid 9 and name HD1# ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.1 0.6 0.6 volume=3.770 peak=1688 ppm1=0.825 ppm2=1.777 assign ( resid 9 and name HD1# ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 4.6 0.9 0.9 volume=0.343 peak=1689 ppm1=0.830 ppm2=2.134 assign ( resid 9 and name HD1# ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.8 0.8 0.8 volume=1.145 peak=1690 ppm1=0.824 ppm2=1.587 assign ( resid 9 and name HD1# ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 2.7 0.5 0.5 volume=7.601 peak=1691 ppm1=0.823 ppm2=1.475 assign ( resid 9 and name HD1# ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 39 and name HB3 or resid 40 and name HD3 or resid 40 and name HG2 or resid 42 and name HG2 ) 2.8 0.6 0.6 volume=6.748 peak=1692 ppm1=0.821 ppm2=1.118 assign ( resid 89 and name HD1# ) ( resid 29 and name HD3 or resid 40 and name HB3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.3 0.7 0.7 volume=2.511 peak=1693 ppm1=0.904 ppm2=1.412 assign ( resid 89 and name HD1# ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 3.3 0.7 0.7 volume=2.429 peak=1694 ppm1=0.906 ppm2=1.775 assign ( resid 89 and name HD1# ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.6 0.7 0.7 volume=1.460 peak=1695 ppm1=0.901 ppm2=2.134 assign ( resid 89 and name HD1# ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.7 0.7 0.7 volume=1.280 peak=1696 ppm1=0.902 ppm2=1.960 assign ( resid 89 and name HD1# ) ( resid 10 and name HG3 or resid 34 and name HB3 or resid 40 and name HE2 ) 4.3 0.9 0.9 volume=0.507 peak=1697 ppm1=0.897 ppm2=2.557 assign ( resid 89 and name HD1# ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 4.2 0.8 0.8 volume=0.558 peak=1698 ppm1=0.898 ppm2=2.439 assign ( resid 89 and name HD1# ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 89 and name HA or resid 90 and name HA or resid 92 and name HA or resid 106 and name HA ) 3.8 0.8 0.8 volume=1.153 peak=1699 ppm1=0.901 ppm2=4.369 assign ( resid 89 and name HD1# ) ( resid 59 and name HN or resid 60 and name HN or resid 71 and name HN or resid 90 and name HN ) 4.3 0.9 0.9 volume=0.482 peak=1700 ppm1=0.909 ppm2=8.882 assign ( resid 89 and name HD1# ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 4.9 1.0 1.0 volume=0.242 peak=1701 ppm1=0.883 ppm2=8.546 assign ( resid 89 and name HD1# ) ( resid 7 and name HN or resid 10 and name HN or resid 16 and name HN or resid 26 and name HN or resid 98 and name HN or resid 100 and name HN or resid 105 and name HN ) 4.6 0.9 0.9 volume=0.320 peak=1702 ppm1=0.901 ppm2=8.293 assign ( resid 89 and name HD1# ) ( resid 11 and name HN or resid 89 and name HN ) 4.0 0.8 0.8 volume=0.748 peak=1703 ppm1=0.901 ppm2=8.754 assign ( resid 32 and name HD1# ) ( resid 18 and name HN or resid 32 and name HN or resid 65 and name HN ) 4.4 0.9 0.9 volume=0.446 peak=1704 ppm1=0.929 ppm2=8.617 assign ( resid 32 and name HD1# ) ( resid 25 and name HN or resid 34 and name HN or resid 38 and name HN or resid 63 and name HN or resid 67 and name HN or resid 81 and name HN ) 4.6 0.9 0.9 volume=0.335 peak=1705 ppm1=0.905 ppm2=8.449 assign ( resid 32 and name HD1# ) ( resid 4 and name HD2 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 72 and name HE# or resid 95 and name HD21 ) 3.9 0.8 0.8 volume=1.098 peak=1706 ppm1=0.914 ppm2=6.896 assign ( resid 32 and name HD1# ) ( resid 41 and name HA or resid 64 and name HA or resid 73 and name HA or resid 87 and name HA ) 4.9 1.0 1.0 volume=0.237 peak=1707 ppm1=0.933 ppm2=5.091 assign ( resid 32 and name HD1# ) ( resid 3 and name HA or resid 5 and name HA or resid 19 and name HB or resid 32 and name HA or resid 58 and name HA or resid 81 and name HA or resid 102 and name HA ) 3.5 0.7 0.7 volume=1.829 peak=1708 ppm1=0.913 ppm2=4.204 assign ( resid 32 and name HD1# ) ( resid 3 and name HD3 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 4.1 0.8 0.8 volume=0.692 peak=1709 ppm1=0.915 ppm2=3.136 assign ( resid 32 and name HD1# ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 83 and name HE3 or resid 83 and name HE2 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 4.5 0.9 0.9 volume=0.400 peak=1710 ppm1=0.905 ppm2=3.006 assign ( resid 32 and name HD1# ) ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 71 and name HB3 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 4.5 0.9 0.9 volume=0.381 peak=1711 ppm1=0.914 ppm2=2.667 assign ( resid 32 and name HD1# ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.3 0.7 0.7 volume=2.873 peak=1712 ppm1=0.914 ppm2=2.137 assign ( resid 32 and name HD1# ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 60 and name HG13 or resid 60 and name HG12 or resid 78 and name HG2 or resid 81 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.4 0.7 0.7 volume=2.161 peak=1713 ppm1=0.909 ppm2=1.567 assign ( resid 32 and name HD1# ) ( resid 8 and name HG or resid 8 and name HB2 or resid 25 and name HD2 or resid 25 and name HD3 or resid 32 and name HG12 or resid 38 and name HG2 or resid 38 and name HG3 or resid 53 and name HD2 or resid 53 and name HD3 or resid 78 and name HB2 or resid 79 and name HB3 or resid 83 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 or resid 103 and name HD3 or resid 103 and name HD2 or resid 104 and name HD2 or resid 104 and name HD3 or resid 105 and name HD2 or resid 105 and name HD3 or resid 106 and name HD2 or resid 106 and name HD3 ) 3.8 0.8 0.8 volume=1.104 peak=1714 ppm1=0.908 ppm2=1.669 assign ( resid 32 and name HD1# ) ( resid 5 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 13 and name HB3 or resid 13 and name HD3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 53 and name HB2 or resid 53 and name HB3 or resid 81 and name HD3 or resid 81 and name HD2 or resid 82 and name HB2 or resid 103 and name HB2 or resid 104 and name HB2 or resid 105 and name HB3 or resid 106 and name HB2 ) 4.3 0.9 0.9 volume=0.478 peak=1715 ppm1=0.912 ppm2=1.822 assign ( resid 24 and name HA ) ( resid 14 and name HN or resid 25 and name HN or resid 48 and name HN or resid 63 and name HN or resid 81 and name HN or resid 106 and name HN ) 3.8 0.8 0.8 volume=0.371 peak=1716 ppm1=4.125 ppm2=8.413 assign ( resid 47 and name HA or resid 88 and name HA ) ( resid 14 and name HN or resid 25 and name HN or resid 35 and name HN or resid 48 and name HN or resid 63 and name HN or resid 106 and name HN ) 3.7 0.7 0.7 volume=0.405 peak=1717 ppm1=4.081 ppm2=8.397 assign ( resid 44 and name HA ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 106 and name HG3 or resid 106 and name HG2 ) 4.1 0.8 0.8 volume=0.216 peak=1718 ppm1=5.148 ppm2=1.479 assign ( resid 29 and name HE2 or resid 42 and name HE3 or resid 64 and name HB2 ) ( resid 4 and name HD2 or resid 14 and name HE22 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 95 and name HD21 ) 3.6 0.7 0.7 volume=0.565 peak=1719 ppm1=2.874 ppm2=6.916 assign ( resid 48 and name HB2 or resid 62 and name HB3 or resid 62 and name HB2 ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 2.5 0.5 0.5 volume=4.517 peak=1720 ppm1=3.017 ppm2=2.881 assign ( resid 48 and name HB3 or resid 57 and name HB2 ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 13 and name HE3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 2.5 0.5 0.5 volume=3.951 peak=1721 ppm1=2.879 ppm2=3.024 assign ( resid 42 and name HB2 ) ( resid 42 and name HN ) 4.1 0.8 0.8 volume=0.221 peak=1722 ppm1=1.467 ppm2=8.962 assign ( resid 56 and name HB2 ) ( resid 9 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 25 and name HA or resid 27 and name HA or resid 31 and name HA or resid 35 and name HB2 or resid 38 and name HA or resid 39 and name HA or resid 56 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 85 and name HA2 or resid 96 and name HA or resid 97 and name HA or resid 103 and name HA or resid 104 and name HA or resid 105 and name HA ) 3.5 0.7 0.7 volume=0.558 peak=1723 ppm1=2.027 ppm2=4.292 assign ( resid 30 and name HB3 or resid 86 and name HB2 ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.7 0.7 0.7 volume=0.442 peak=1724 ppm1=3.172 ppm2=3.486 assign ( resid 90 and name HD1# ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN ) 4.9 1.0 1.0 volume=0.237 peak=1725 ppm1=0.742 ppm2=8.546 assign ( resid 78 and name HG3 ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 3.8 0.8 0.8 volume=0.358 peak=1726 ppm1=1.467 ppm2=3.363 assign ( resid 15 and name HG3 or resid 32 and name HG12 ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 54 and name HA or resid 59 and name HA or resid 86 and name HA or resid 89 and name HA or resid 92 and name HA or resid 106 and name HA ) 3.7 0.7 0.7 volume=0.430 peak=1727 ppm1=1.626 ppm2=4.360 assign ( resid 9 and name HG12 or resid 21 and name HG or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) ( resid 3 and name HA or resid 5 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 32 and name HA or resid 50 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 96 and name HA or resid 99 and name HA or resid 102 and name HA ) 3.0 0.6 0.6 volume=1.534 peak=1728 ppm1=1.491 ppm2=4.236 assign ( resid 32 and name HG12 ) ( resid 4 and name HD2 or resid 36 and name HE# or resid 54 and name HE21 or resid 64 and name HN or resid 71 and name HD# or resid 72 and name HE# or resid 95 and name HD21 ) 4.0 0.8 0.8 volume=0.325 peak=1729 ppm1=1.678 ppm2=6.897 assign ( resid 25 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 18 and name HB2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 25 and name HB2 or resid 31 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 60 and name HB or resid 78 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 107 and name HB ) 3.0 0.6 0.6 volume=1.428 peak=1730 ppm1=1.492 ppm2=2.109 assign ( resid 25 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 ) ( resid 10 and name HB2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 40 and name HB2 or resid 56 and name HB2 or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 102 and name HB2 ) 3.0 0.6 0.6 volume=1.367 peak=1731 ppm1=1.500 ppm2=2.007 assign ( resid 11 and name HB2 ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 4.3 0.9 0.9 volume=0.172 peak=1732 ppm1=2.894 ppm2=1.971 assign ( resid 100 and name HB3 or resid 100 and name HB2 ) ( resid 3 and name HB2 or resid 5 and name HB3 or resid 5 and name HB2 or resid 13 and name HB3 or resid 13 and name HG2 or resid 15 and name HB3 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 102 and name HB3 ) 4.1 0.8 0.8 volume=0.232 peak=1733 ppm1=3.004 ppm2=1.896 assign ( resid 11 and name HB2 ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 2 and name HB3 or resid 11 and name HA or resid 16 and name HA1 or resid 52 and name HA1 or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB2 ) 3.7 0.7 0.7 volume=0.403 peak=1734 ppm1=2.883 ppm2=3.850 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid 11 and name HN or resid 89 and name HN ) 4.0 0.8 0.8 volume=0.276 peak=1735 ppm1=2.744 ppm2=8.762 assign ( resid 88 and name HG3 ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 91 and name HB3 or resid 95 and name HB3 ) 3.7 0.7 0.7 volume=0.430 peak=1736 ppm1=1.468 ppm2=2.747 assign ( resid 19 and name HG2# ) ( resid 4 and name HB3 or resid 4 and name HB2 or resid 6 and name HB3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 81 and name HE3 or resid 81 and name HE2 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 4.7 0.9 0.9 volume=0.315 peak=1737 ppm1=1.171 ppm2=3.010 assign ( resid 12 and name HG ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 4.4 0.9 0.9 volume=0.474 peak=1738 ppm1=1.323 ppm2=0.625 assign ( resid 42 and name HG2 ) ( resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# ) 3.5 0.7 0.7 volume=1.081 peak=1739 ppm1=1.140 ppm2=0.791 assign ( resid 42 and name HG2 ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.1 0.6 0.6 volume=1.172 peak=1740 ppm1=1.155 ppm2=1.505 assign ( resid 90 and name HD1# ) ( resid 3 and name HG2 or resid 13 and name HG3 or resid 15 and name HG3 or resid 21 and name HB2 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG13 or resid 44 and name HG2 or resid 44 and name HB3 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 60 and name HG12 or resid 63 and name HB3 or resid 78 and name HG2 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 90 and name HB2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 ) 3.3 0.7 0.7 volume=2.535 peak=1741 ppm1=0.743 ppm2=1.589 assign ( resid 90 and name HD1# ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 4.2 0.8 0.8 volume=0.608 peak=1742 ppm1=0.746 ppm2=1.785 assign ( resid 90 and name HD1# ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 4.1 0.8 0.8 volume=0.712 peak=1743 ppm1=0.746 ppm2=2.879 assign ( resid 90 and name HD1# ) ( resid 11 and name HB3 or resid 29 and name HE3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 91 and name HB3 or resid 95 and name HB3 ) 3.8 0.8 0.8 volume=1.133 peak=1744 ppm1=0.744 ppm2=2.751 assign ( resid 90 and name HD1# ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 4.7 0.9 0.9 volume=0.298 peak=1745 ppm1=0.747 ppm2=3.379 assign ( resid 90 and name HD1# ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 51 and name HB2 or resid 61 and name HB2 or resid 66 and name HA1 or resid 73 and name HB2 or resid 76 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 ) 4.8 1.0 1.0 volume=0.277 peak=1746 ppm1=0.745 ppm2=3.185 assign ( resid 90 and name HD1# ) ( resid 88 and name HD3 ) 4.7 0.9 0.9 volume=0.304 peak=1747 ppm1=0.754 ppm2=3.538 assign ( resid 90 and name HD1# ) ( resid 10 and name HA or resid 36 and name HA or resid 46 and name HA ) 4.8 1.0 1.0 volume=0.256 peak=1748 ppm1=0.743 ppm2=4.920 assign ( resid 90 and name HD1# ) ( resid 12 and name HN ) 4.4 0.9 0.9 volume=0.457 peak=1749 ppm1=0.746 ppm2=9.518 assign ( resid 90 and name HD1# ) ( resid 8 and name HD2# or resid 9 and name HG2# or resid 9 and name HD1# or resid 12 and name HD2# or resid 60 and name HG2# or resid 63 and name HD2# or resid 67 and name HG2# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 97 and name HD2# or resid 107 and name HG1# ) 3.1 0.6 0.6 volume=10.960 peak=1750 ppm1=0.744 ppm2=0.874 assign ( resid 32 and name HG2# ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 4.6 0.9 0.9 volume=0.346 peak=1751 ppm1=0.951 ppm2=8.463 assign ( resid 12 and name HD1# ) ( resid 1 and name HA or resid 34 and name HA or resid 48 and name HA or resid 63 and name HA or resid 84 and name HA ) 4.8 1.0 1.0 volume=0.250 peak=1752 ppm1=0.622 ppm2=4.476 assign ( resid 75 and name HB3 or resid 75 and name HB2 ) ( resid 10 and name HG2 or resid 18 and name HG2 or resid 18 and name HG3 or resid 24 and name HG2 or resid 24 and name HG3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 54 and name HG2 or resid 54 and name HG3 or resid 75 and name HG3 or resid 75 and name HG2 ) 2.9 0.6 0.6 volume=1.687 peak=1753 ppm1=2.271 ppm2=2.399 assign ( resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 ) ( resid 6 and name HE# or resid 51 and name HN or resid 51 and name HD# or resid 55 and name HN or resid 62 and name HD21 or resid 101 and name HE# or resid 101 and name HZ ) 4.2 0.8 0.8 volume=0.242 peak=1754 ppm1=2.067 ppm2=7.336 assign ( resid 24 and name HB3 or resid 24 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 78 and name HB3 ) ( resid 27 and name HN or resid 51 and name HE# or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 4.2 0.8 0.8 volume=0.224 peak=1755 ppm1=2.096 ppm2=7.199 assign ( resid 26 and name HB2 ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 4.6 0.9 0.9 volume=0.327 peak=1756 ppm1=3.265 ppm2=0.899 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 78 and name HG3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 4.2 0.8 0.8 volume=0.203 peak=1757 ppm1=2.757 ppm2=1.481 assign ( resid 22 and name HD2# ) ( resid 29 and name HN or resid 54 and name HE22 or resid 74 and name HE3 or resid 74 and name HZ2 or resid 91 and name HD21 ) 4.6 0.9 0.9 volume=0.340 peak=1758 ppm1=1.025 ppm2=7.530 assign ( resid 12 and name HD2# or resid 79 and name HD1# ) ( resid 17 and name HB or resid 54 and name HB2 or resid 75 and name HB3 or resid 75 and name HB2 ) 4.7 0.9 0.9 volume=0.286 peak=1759 ppm1=0.918 ppm2=2.267 assign ( resid 12 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# ) ( resid 10 and name HG3 or resid 34 and name HB3 or resid 40 and name HE2 ) 4.1 0.8 0.8 volume=0.662 peak=1760 ppm1=0.880 ppm2=2.556 assign ( resid 59 and name HD1# ) ( resid 15 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 5.0 1.0 1.0 volume=0.196 peak=1761 ppm1=0.583 ppm2=3.601 assign ( resid 56 and name HA or resid 83 and name HA or resid 97 and name HA ) ( resid 21 and name HD2# or resid 90 and name HD1# ) 4.0 0.8 0.8 volume=0.846 peak=1762 ppm1=4.287 ppm2=0.734 assign ( resid 56 and name HA or resid 83 and name HA ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 40 and name HG3 or resid 59 and name HG13 or resid 83 and name HG2 ) 3.5 0.7 0.7 volume=0.707 peak=1763 ppm1=4.285 ppm2=1.231 assign ( resid 56 and name HA or resid 97 and name HA ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 44 and name HG3 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.4 0.7 0.7 volume=0.756 peak=1764 ppm1=4.280 ppm2=1.433 assign ( resid 56 and name HA or resid 83 and name HA ) ( resid 12 and name HG or resid 55 and name HB# or resid 59 and name HG12 or resid 83 and name HG3 ) 3.6 0.7 0.7 volume=0.634 peak=1765 ppm1=4.285 ppm2=1.311 assign ( resid 83 and name HA ) ( resid 27 and name HN or resid 51 and name HE# or resid 57 and name HD21 or resid 74 and name HZ3 or resid 83 and name HN or resid 101 and name HD# ) 3.5 0.7 0.7 volume=0.736 peak=1766 ppm1=4.276 ppm2=7.198 assign ( resid 49 and name HB3 ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# or resid 97 and name HD2# ) 4.7 0.9 0.9 volume=0.222 peak=1767 ppm1=3.015 ppm2=0.811 assign ( resid 11 and name HB3 or resid 49 and name HB2 ) ( resid 8 and name HD2# or resid 9 and name HD1# or resid 42 and name HG3 or resid 45 and name HG2# or resid 60 and name HD1# or resid 97 and name HD2# ) 4.3 0.9 0.9 volume=0.378 peak=1768 ppm1=2.759 ppm2=0.807 assign ( resid 100 and name HB3 or resid 100 and name HB2 ) ( resid 3 and name HA or resid 5 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 32 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 102 and name HA or resid 103 and name HA ) 3.9 0.8 0.8 volume=0.300 peak=1769 ppm1=3.023 ppm2=4.249 assign ( resid 78 and name HG2 or resid 92 and name HG or resid 97 and name HG ) ( resid 4 and name HB3 or resid 13 and name HE3 or resid 34 and name HB2 or resid 44 and name HD3 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 ) 3.3 0.7 0.7 volume=0.766 peak=1770 ppm1=1.577 ppm2=3.053 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 3 and name HB3 or resid 9 and name HB or resid 10 and name HB3 or resid 12 and name HB3 or resid 13 and name HD3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 105 and name HB3 or resid 106 and name HB3 ) 4.3 0.9 0.9 volume=0.491 peak=1771 ppm1=0.726 ppm2=1.769 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 9 and name HG13 or resid 21 and name HB3 or resid 37 and name HG2# or resid 40 and name HD3 or resid 40 and name HG2 or resid 59 and name HG2# or resid 65 and name HG1# ) 3.8 0.8 0.8 volume=1.571 peak=1772 ppm1=0.725 ppm2=1.082 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 22 and name HD1# or resid 29 and name HD3 or resid 40 and name HB3 or resid 87 and name HG3 or resid 89 and name HG13 or resid 90 and name HB3 ) 4.2 0.8 0.8 volume=0.669 peak=1773 ppm1=0.725 ppm2=1.386 assign ( resid 21 and name HD2# or resid 90 and name HD1# ) ( resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 102 and name HG3 ) 4.7 0.9 0.9 volume=0.285 peak=1774 ppm1=0.725 ppm2=2.173 assign ( resid 8 and name HD1# or resid 92 and name HD1# ) ( resid 14 and name HE22 or resid 71 and name HD# or resid 72 and name HD# or resid 91 and name HD22 or resid 100 and name HD2 ) 4.3 0.9 0.9 volume=0.651 peak=1775 ppm1=0.918 ppm2=6.965 assign ( resid 8 and name HD2# or resid 92 and name HD2# ) ( resid 6 and name HD# or resid 51 and name HE# or resid 71 and name HE# or resid 74 and name HZ3 or resid 74 and name HD1 or resid 74 and name HH2 or resid 101 and name HD# ) 4.5 0.9 0.9 volume=0.547 peak=1776 ppm1=0.844 ppm2=7.250 assign ( resid 8 and name HD2# or resid 92 and name HD2# ) ( resid 8 and name HB3 or resid 9 and name HG12 or resid 29 and name HD3 or resid 42 and name HB2 or resid 44 and name HG3 or resid 53 and name HG3 or resid 53 and name HG2 or resid 56 and name HG2 or resid 56 and name HG3 or resid 78 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 or resid 103 and name HG3 or resid 103 and name HG2 or resid 104 and name HG3 or resid 104 and name HG2 or resid 105 and name HG2 or resid 105 and name HG3 or resid 106 and name HG3 or resid 106 and name HG2 ) 3.2 0.6 0.6 volume=2.833 peak=1777 ppm1=0.835 ppm2=1.457 assign ( resid 8 and name HD2# or resid 92 and name HD2# ) ( resid 5 and name HB2 or resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 38 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB3 ) 3.9 0.8 0.8 volume=0.945 peak=1778 ppm1=0.845 ppm2=1.940 assign ( resid 8 and name HD2# or resid 92 and name HD2# ) ( resid 5 and name HG3 or resid 5 and name HG2 or resid 10 and name HE# or resid 14 and name HB2 or resid 15 and name HG2 or resid 24 and name HB3 or resid 24 and name HB2 or resid 31 and name HB2 or resid 60 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 ) 3.9 0.8 0.8 volume=0.903 peak=1779 ppm1=0.839 ppm2=2.135 assign ( resid 8 and name HD2# or resid 92 and name HD2# ) ( resid 7 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 91 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 4.2 0.8 0.8 volume=0.612 peak=1780 ppm1=0.841 ppm2=2.679 assign ( resid 63 and name HD2# or resid 97 and name HD1# ) ( resid 3 and name HG2 or resid 8 and name HG or resid 15 and name HG3 or resid 22 and name HG or resid 25 and name HG2 or resid 29 and name HB2 or resid 31 and name HG3 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 60 and name HG13 or resid 63 and name HB3 or resid 78 and name HB2 or resid 79 and name HB3 or resid 82 and name HB3 or resid 83 and name HD3 or resid 83 and name HD2 or resid 92 and name HG or resid 92 and name HB3 or resid 92 and name HB2 or resid 96 and name HG2 or resid 96 and name HG3 or resid 97 and name HG or resid 97 and name HB3 or resid 97 and name HB2 or resid 99 and name HB3 ) 3.1 0.6 0.6 volume=3.635 peak=1781 ppm1=0.884 ppm2=1.624 assign ( resid 19 and name HG2# ) ( resid 15 and name HG2 or resid 31 and name HB2 or resid 37 and name HB or resid 67 and name HB or resid 69 and name HB3 or resid 81 and name HB2 or resid 87 and name HB3 or resid 102 and name HG3 ) 4.3 0.9 0.9 volume=0.482 peak=1782 ppm1=1.169 ppm2=2.174 assign ( resid 65 and name HG1# ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 or resid 95 and name HB2 ) 4.0 0.8 0.8 volume=0.755 peak=1783 ppm1=1.046 ppm2=2.856 assign ( resid 12 and name HD1# ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 4.3 0.9 0.9 volume=0.510 peak=1784 ppm1=0.627 ppm2=3.380 assign ( resid 12 and name HD1# ) ( resid 3 and name HD3 or resid 13 and name HE2 or resid 30 and name HB3 or resid 32 and name HB or resid 44 and name HD2 or resid 51 and name HB3 or resid 73 and name HB2 or resid 76 and name HB2 or resid 86 and name HB2 or resid 96 and name HD2 or resid 96 and name HD3 or resid 99 and name HD3 or resid 99 and name HD2 or resid 101 and name HB2 ) 4.6 0.9 0.9 volume=0.360 peak=1785 ppm1=0.620 ppm2=3.148 assign ( resid 12 and name HD1# ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 56 and name HB2 ) 4.7 0.9 0.9 volume=0.314 peak=1786 ppm1=0.622 ppm2=2.044 assign ( resid 12 and name HD1# ) ( resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 18 and name HB3 or resid 25 and name HB3 or resid 39 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 65 and name HB or resid 83 and name HB2 or resid 87 and name HG2 or resid 88 and name HG2 or resid 89 and name HB or resid 102 and name HB2 ) 3.7 0.7 0.7 volume=1.189 peak=1787 ppm1=0.622 ppm2=1.965 assign ( resid 12 and name HD1# ) ( resid 8 and name HD1# or resid 9 and name HG2# or resid 12 and name HD2# or resid 32 and name HD1# or resid 60 and name HG2# or resid 63 and name HD1# or resid 63 and name HD2# or resid 67 and name HG2# or resid 67 and name HG1# or resid 79 and name HD1# or resid 79 and name HD2# or resid 89 and name HD1# or resid 89 and name HG2# or resid 90 and name HD2# or resid 92 and name HD1# or resid 92 and name HD2# or resid 97 and name HD1# or resid 107 and name HG1# or resid 107 and name HG2# ) 3.3 0.7 0.7 volume=7.743 peak=1788 ppm1=0.622 ppm2=0.892 assign ( resid 12 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 3.4 0.7 0.7 volume=5.851 peak=1789 ppm1=0.883 ppm2=0.632 assign ( resid 12 and name HD2# or resid 79 and name HD1# ) ( resid 8 and name HG or resid 15 and name HG3 or resid 25 and name HG2 or resid 32 and name HG12 or resid 56 and name HD3 or resid 56 and name HD2 or resid 63 and name HB3 or resid 78 and name HB2 or resid 79 and name HB3 or resid 83 and name HB3 or resid 92 and name HB2 or resid 97 and name HG or resid 97 and name HB2 or resid 99 and name HB3 ) 2.9 0.6 0.6 volume=5.882 peak=1790 ppm1=0.906 ppm2=1.635 assign ( resid 12 and name HD2# or resid 79 and name HD1# or resid 79 and name HD2# or resid 90 and name HD2# ) ( resid 5 and name HB2 or resid 10 and name HB2 or resid 13 and name HD2 or resid 14 and name HB3 or resid 15 and name HB2 or resid 38 and name HB2 or resid 39 and name HB2 or resid 41 and name HB2 or resid 44 and name HB2 or resid 59 and name HB or resid 83 and name HB2 or resid 88 and name HG2 or resid 89 and name HB ) 3.9 0.8 0.8 volume=0.877 peak=1791 ppm1=0.889 ppm2=1.951 assign ( resid 12 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# ) ( resid 12 and name HB2 or resid 18 and name HB2 or resid 25 and name HB2 or resid 40 and name HB2 or resid 47 and name HB2 or resid 47 and name HB3 or resid 54 and name HB3 or resid 56 and name HB2 or resid 78 and name HB3 or resid 107 and name HB ) 3.4 0.7 0.7 volume=1.955 peak=1792 ppm1=0.884 ppm2=2.055 assign ( resid 12 and name HD2# or resid 79 and name HD1# or resid 79 and name HD2# or resid 90 and name HD2# ) ( resid 10 and name HG2 or resid 14 and name HG2 or resid 14 and name HG3 or resid 18 and name HG2 or resid 33 and name HB3 or resid 40 and name HE3 or resid 45 and name HB or resid 46 and name HB3 or resid 69 and name HB2 or resid 75 and name HG3 ) 4.7 0.9 0.9 volume=0.312 peak=1793 ppm1=0.890 ppm2=2.440 assign ( resid 12 and name HD2# or resid 79 and name HD1# or resid 79 and name HD2# or resid 90 and name HD2# ) ( resid 7 and name HB3 or resid 7 and name HB2 or resid 23 and name HB2 or resid 58 and name HB2 or resid 68 and name HB2 or resid 71 and name HB3 or resid 76 and name HB3 or resid 77 and name HB2 or resid 77 and name HB3 or resid 84 and name HB2 or resid 84 and name HB3 or resid 98 and name HB3 or resid 98 and name HB2 ) 4.1 0.8 0.8 volume=0.682 peak=1794 ppm1=0.889 ppm2=2.651 assign ( resid 12 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# ) ( resid 12 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 4.9 1.0 1.0 volume=0.235 peak=1795 ppm1=0.878 ppm2=3.746 assign ( resid 12 and name HD2# or resid 79 and name HD2# ) ( resid 7 and name HN or resid 10 and name HN or resid 26 and name HN or resid 105 and name HN ) 4.3 0.9 0.9 volume=0.512 peak=1796 ppm1=0.883 ppm2=8.314 assign ( resid 12 and name HD2# or resid 79 and name HD2# or resid 90 and name HD2# ) ( resid 9 and name HN or resid 13 and name HN or resid 54 and name HN or resid 58 and name HN or resid 65 and name HN ) 4.5 0.9 0.9 volume=0.378 peak=1797 ppm1=0.875 ppm2=8.558 assign ( resid 41 and name HA ) ( resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 44 and name HG2 or resid 53 and name HG3 or resid 53 and name HG2 or resid 60 and name HG12 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 3.9 0.8 0.8 volume=0.286 peak=1798 ppm1=5.081 ppm2=1.520 assign ( resid 38 and name HB2 or resid 102 and name HB3 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 or resid 83 and name HG3 ) 4.3 0.9 0.9 volume=0.202 peak=1799 ppm1=1.917 ppm2=1.265 assign ( resid 3 and name HB2 or resid 38 and name HB3 or resid 102 and name HB3 ) ( resid 37 and name HG1# or resid 40 and name HD2 or resid 59 and name HG13 or resid 83 and name HG3 ) 4.0 0.8 0.8 volume=0.331 peak=1800 ppm1=1.887 ppm2=1.265 assign ( resid 3 and name HB2 or resid 38 and name HB3 or resid 102 and name HB3 ) ( resid 11 and name HB3 or resid 29 and name HE3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 64 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 4.3 0.9 0.9 volume=0.159 peak=1801 ppm1=1.887 ppm2=2.774 assign ( resid 38 and name HB2 or resid 102 and name HB3 ) ( resid 11 and name HB3 or resid 29 and name HE3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 64 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 3.7 0.7 0.7 volume=0.426 peak=1802 ppm1=1.922 ppm2=2.765 assign ( resid 3 and name HB2 or resid 38 and name HB3 or resid 102 and name HB3 ) ( resid 11 and name HB2 or resid 26 and name HB3 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.9 0.8 0.8 volume=0.323 peak=1803 ppm1=1.887 ppm2=2.870 assign ( resid 38 and name HB2 or resid 102 and name HB3 ) ( resid 4 and name HB3 or resid 6 and name HB3 or resid 13 and name HE3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 104 and name HE2 or resid 104 and name HE3 or resid 105 and name HE3 or resid 105 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 4.0 0.8 0.8 volume=0.263 peak=1804 ppm1=1.926 ppm2=3.028 assign ( resid 3 and name HB2 or resid 38 and name HB3 or resid 38 and name HB2 or resid 102 and name HB3 ) ( resid 4 and name HB3 or resid 13 and name HE3 or resid 25 and name HE2 or resid 25 and name HE3 or resid 34 and name HB2 or resid 42 and name HE2 or resid 48 and name HB2 or resid 49 and name HB3 or resid 53 and name HE3 or resid 53 and name HE2 or resid 62 and name HB3 or resid 62 and name HB2 or resid 72 and name HB3 or resid 78 and name HD3 or resid 100 and name HB3 or resid 100 and name HB2 or resid 101 and name HB3 or resid 103 and name HE3 or resid 103 and name HE2 or resid 106 and name HE3 or resid 106 and name HE2 ) 3.9 0.8 0.8 volume=0.287 peak=1805 ppm1=1.894 ppm2=3.039 assign ( resid 8 and name HD1# or resid 92 and name HD1# ) ( resid 2 and name HA or resid 4 and name HA or resid 7 and name HA or resid 8 and name HA or resid 16 and name HA2 or resid 98 and name HA or resid 100 and name HA or resid 101 and name HA ) 3.9 0.8 0.8 volume=0.935 peak=1806 ppm1=0.915 ppm2=4.577 assign ( resid 12 and name HD2# or resid 79 and name HD1# ) ( resid 3 and name HB3 or resid 9 and name HB or resid 12 and name HB3 or resid 22 and name HB2 or resid 39 and name HG2 or resid 39 and name HG3 or resid 41 and name HG3 or resid 41 and name HG2 or resid 56 and name HB3 or resid 63 and name HG or resid 63 and name HB2 or resid 79 and name HB2 or resid 79 and name HG or resid 81 and name HD3 or resid 81 and name HD2 or resid 89 and name HG12 or resid 96 and name HB3 or resid 96 and name HB2 or resid 99 and name HB2 or resid 103 and name HB3 or resid 104 and name HB3 or resid 105 and name HB2 or resid 106 and name HB3 ) 2.9 0.6 0.6 volume=5.266 peak=1807 ppm1=0.921 ppm2=1.761 assign ( resid 45 and name HG2# ) ( resid 3 and name HA or resid 5 and name HA or resid 17 and name HA or resid 20 and name HA2 or resid 27 and name HA or resid 31 and name HA or resid 32 and name HA or resid 38 and name HA or resid 50 and name HA or resid 56 and name HA or resid 58 and name HA or resid 60 and name HA or resid 77 and name HA or resid 79 and name HA or resid 83 and name HA or resid 96 and name HA or resid 99 and name HA or resid 102 and name HA or resid 103 and name HA or resid 104 and name HA ) 3.8 0.8 0.8 volume=1.005 peak=1808 ppm1=0.800 ppm2=4.254 assign ( resid 45 and name HG2# ) ( resid 12 and name HA or resid 15 and name HA or resid 28 and name HA2 or resid 42 and name HA or resid 87 and name HD3 ) 4.0 0.8 0.8 volume=0.767 peak=1809 ppm1=0.800 ppm2=3.726 assign ( resid 45 and name HG2# ) ( resid 0 and name HA2 or resid 0 and name HA1 or resid 15 and name HD2 or resid 26 and name HA or resid 29 and name HA or resid 31 and name HD2 or resid 35 and name HB3 or resid 47 and name HA or resid 53 and name HA or resid 55 and name HA or resid 80 and name HA2 or resid 88 and name HA or resid 107 and name HA ) 4.4 0.9 0.9 volume=0.431 peak=1810 ppm1=0.794 ppm2=4.064 assign ( resid 45 and name HG2# ) ( resid 58 and name HB3 or resid 73 and name HB3 or resid 74 and name HB3 or resid 78 and name HD2 or resid 85 and name HA1 or resid 88 and name HD2 ) 4.6 0.9 0.9 volume=0.362 peak=1811 ppm1=0.794 ppm2=3.371 assign ( resid 45 and name HG2# ) ( resid 23 and name HB3 or resid 88 and name HD3 ) 4.5 0.9 0.9 volume=0.403 peak=1812 ppm1=0.792 ppm2=3.521 assign ( resid 65 and name HG2# ) ( resid 23 and name HB3 or resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 4.6 0.9 0.9 volume=0.356 peak=1813 ppm1=0.965 ppm2=3.455 assign ( resid 45 and name HG2# ) ( resid 11 and name HB3 or resid 29 and name HE3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 4.3 0.9 0.9 volume=0.547 peak=1814 ppm1=0.794 ppm2=2.753 assign ( resid 45 and name HG2# ) ( resid 12 and name HD1# or resid 21 and name HD1# or resid 45 and name HG1# or resid 59 and name HD1# ) 3.6 0.7 0.7 volume=4.494 peak=1815 ppm1=0.797 ppm2=0.635 assign ( resid 45 and name HG2# ) ( resid 43 and name HG1# ) 4.7 0.9 0.9 volume=0.860 peak=1816 ppm1=0.798 ppm2=0.463 assign ( resid 45 and name HG2# ) ( resid 9 and name HG12 or resid 21 and name HG or resid 22 and name HB3 or resid 25 and name HG3 or resid 29 and name HD2 or resid 42 and name HB3 or resid 42 and name HB2 or resid 42 and name HD3 or resid 42 and name HD2 or resid 43 and name HB or resid 53 and name HG3 or resid 53 and name HG2 or resid 81 and name HB3 or resid 81 and name HG2 or resid 81 and name HG3 or resid 88 and name HG3 or resid 90 and name HG or resid 99 and name HG2 or resid 99 and name HG3 ) 4.0 0.8 0.8 volume=0.793 peak=1817 ppm1=0.797 ppm2=1.506 assign ( resid 45 and name HG2# ) ( resid 19 and name HA or resid 46 and name HA or resid 71 and name HA ) 4.4 0.9 0.9 volume=0.425 peak=1818 ppm1=0.798 ppm2=4.993 assign ( resid 45 and name HG2# ) ( resid 23 and name HA or resid 44 and name HA or resid 87 and name HA ) 4.3 0.9 0.9 volume=0.537 peak=1819 ppm1=0.799 ppm2=5.138 assign ( resid 65 and name HG2# ) ( resid 41 and name HA or resid 64 and name HA or resid 71 and name HA ) 4.5 0.9 0.9 volume=0.411 peak=1820 ppm1=0.969 ppm2=5.043 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 65 and name HG2# ) ( resid 51 and name HA or resid 57 and name HA or resid 61 and name HA or resid 95 and name HA ) 4.1 0.8 0.8 volume=0.693 peak=1821 ppm1=0.956 ppm2=4.750 assign ( resid 17 and name HG2# or resid 17 and name HG1# or resid 65 and name HG2# ) ( resid 13 and name HA or resid 14 and name HA or resid 18 and name HA or resid 28 and name HA1 or resid 67 and name HA or resid 75 and name HA or resid 86 and name HA or resid 90 and name HA or resid 94 and name HA ) 4.1 0.8 0.8 volume=0.684 peak=1822 ppm1=0.965 ppm2=4.406 assign ( resid 17 and name HG2# or resid 17 and name HG1# ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 11 and name HA or resid 16 and name HA1 or resid 52 and name HA1 or resid 74 and name HA or resid 78 and name HA or resid 94 and name HB2 ) 4.3 0.9 0.9 volume=0.542 peak=1823 ppm1=0.958 ppm2=3.830 assign ( resid 67 and name HG2# or resid 67 and name HG1# or resid 107 and name HG1# or resid 107 and name HG2# ) ( resid 21 and name HN or resid 34 and name HN or resid 38 and name HN or resid 67 and name HN or resid 69 and name HN or resid 81 and name HN or resid 93 and name HN ) 3.9 0.8 0.8 volume=0.931 peak=1824 ppm1=0.922 ppm2=8.481 assign ( resid 9 and name HG2# ) ( resid 11 and name HB3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 61 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 91 and name HB3 ) 4.0 0.8 0.8 volume=0.782 peak=1825 ppm1=0.886 ppm2=2.742 assign ( resid 9 and name HG2# ) ( resid -1 and name HA2 or resid -1 and name HA1 or resid 1 and name HB2 or resid 1 and name HB3 or resid 2 and name HB3 or resid 11 and name HA or resid 16 and name HA1 or resid 50 and name HB3 or resid 52 and name HA1 or resid 76 and name HA or resid 78 and name HA or resid 94 and name HB3 or resid 94 and name HB2 ) 4.3 0.9 0.9 volume=0.483 peak=1826 ppm1=0.874 ppm2=3.867 assign ( resid 38 and name HG2 or resid 38 and name HG3 ) ( resid 39 and name HD2 or resid 39 and name HD3 or resid 43 and name HA or resid 50 and name HB2 ) 3.7 0.7 0.7 volume=0.439 peak=1827 ppm1=1.688 ppm2=3.649 assign ( resid 38 and name HG2 or resid 38 and name HG3 ) ( resid 30 and name HB2 or resid 66 and name HA2 or resid 74 and name HB2 ) 3.8 0.8 0.8 volume=0.349 peak=1828 ppm1=1.678 ppm2=3.444 assign ( resid 38 and name HG2 or resid 38 and name HG3 ) ( resid 11 and name HB2 or resid 29 and name HE2 or resid 38 and name HD2 or resid 42 and name HE3 or resid 48 and name HB3 or resid 57 and name HB2 or resid 64 and name HB2 or resid 71 and name HB2 ) 3.4 0.7 0.7 volume=0.651 peak=1829 ppm1=1.689 ppm2=2.885 assign ( resid 38 and name HG2 or resid 38 and name HG3 ) ( resid 11 and name HB3 or resid 29 and name HE3 or resid 36 and name HB2 or resid 38 and name HD3 or resid 49 and name HB2 or resid 64 and name HB3 or resid 86 and name HB3 or resid 91 and name HB2 or resid 95 and name HB3 ) 3.4 0.7 0.7 volume=0.740 peak=1830 ppm1=1.692 ppm2=2.775 assign ( resid 38 and name HG2 or resid 38 and name HG3 ) ( resid 5 and name HB2 or resid 13 and name HD2 or resid 31 and name HB3 or resid 38 and name HB3 or resid 38 and name HB2 or resid 41 and name HB3 or resid 41 and name HB2 or resid 44 and name HB2 or resid 88 and name HB2 or resid 88 and name HB3 or resid 89 and name HB or resid 102 and name HB3 ) 2.7 0.5 0.5 volume=2.498 peak=1831 ppm1=1.691 ppm2=1.913
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