NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
569232 | 2mdt | 17298 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
assign (resid 30 and name HN) (resid 32 and name HN) 3.65 1.85 1.85 ! 0.0000 0:10 Mid 4.23, 4.36 A assign (resid 4 and name HN) (resid 84 and name HN) 3.65 1.85 1.85 ! 0.0000 1:10 Long 3.51, 3.81 A assign (resid 4 and name HN) (resid 3 and name HN) 3.65 1.85 1.85 ! 0.0000 2:10 Seq 3.98, 4.04 A assign (resid 105 and name HN) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.0000 3:10 Mid 3.75, 4.03 A assign (resid 105 and name HN) (resid 104 and name HN) 3.15 1.35 1.35 ! 0.0000 4:10 Seq 2.59, 2.79 A assign (resid 4 and name HN) (resid 82 and name HN) 3.15 1.35 1.35 ! 0.0000 5:10 Long 3.47, 3.59 A assign (resid 105 and name HN) (resid 106 and name HN) 2.65 0.85 0.85 ! 0.0000 6:10 Seq 2.48, 2.62 A assign (resid 102 and name HN) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.0000 7:10 Seq 4.32, 4.39 A assign (resid 28 and name HN) (resid 32 and name HN) 3.65 1.85 1.85 ! 0.0000 8:10 Mid 3.96, 4.17 A assign (resid 28 and name HN) (resid 72 and name HN) 4.15 2.35 2.35 ! 0.0000 10:10 Long 5.81, 6.11 A assign (resid 28 and name HN) (resid 29 and name HN) 3.65 1.85 1.85 ! 0.0000 12:10 Seq 4.47, 4.51 A assign (resid 26 and name HN) (resid 5 and name HN) 3.15 1.35 1.35 ! 0.8945 13:10 Ambig 3.33, 3.49 A or (resid 84 and name HN) (resid 5 and name HN) ! 0.1055 13:10 ----- 4.75, 4.84 A assign (resid 102 and name HN) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.8132 14:10 Ambig 3.30, 3.55 A or (resid 84 and name HN) (resid 85 and name HN) ! 0.1868 14:10 ----- 4.22, 4.29 A assign (resid 26 and name HN) (resid 25 and name HN) 3.15 1.35 1.35 ! 0.8600 15:10 Ambig 4.35, 4.47 A or (resid 11 and name HN) (resid 9 and name HN) ! 0.0914 15:10 ----- 6.33, 6.73 A assign (resid 4 and name HN) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.0000 16:10 Long 4.67, 4.74 A assign (resid 84 and name HN) (resid 6 and name HN) 3.65 1.85 1.85 ! 0.9814 17:10 Long 3.39, 3.67 A assign (resid 26 and name HN) (resid 3 and name HN) 3.15 1.35 1.35 ! 0.9883 18:10 Long 3.31, 3.43 A assign (resid 11 and name HN) (resid 12 and name HN) 3.65 1.85 1.85 ! 0.0000 19:10 Seq 2.71, 2.97 A assign (resid 11 and name HN) (resid 10 and name HN) 3.65 1.85 1.85 ! 0.0000 20:10 Seq 4.53, 4.58 A assign (resid 84 and name HN) (resid 4 and name HN) 3.65 1.85 1.85 ! 0.7859 21:10 Ambig 3.51, 3.81 A or (resid 26 and name HN) (resid 4 and name HN) ! 0.2048 21:10 ----- 4.39, 4.50 A assign (resid 88 and name HN) (resid 90 and name HN) 3.65 1.85 1.85 ! 0.0000 22:10 Mid 4.11, 4.26 A assign (resid 88 and name HN) (resid 89 and name HN) 3.15 1.35 1.35 ! 0.0000 23:10 Seq 2.62, 2.79 A assign (resid 88 and name HN) (resid 87 and name HN) 3.65 1.85 1.85 ! 0.0000 24:10 Seq 4.32, 4.46 A assign (resid 100 and name HN) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.0000 25:10 Seq 3.83, 4.03 A assign (resid 27 and name HN) (resid 53 and name HN) 3.65 1.85 1.85 ! 0.9680 26:10 Long 3.28, 3.56 A assign (resid 102 and name HN) (resid 83 and name HN) 3.15 1.35 1.35 ! 0.7016 27:10 Ambig 3.68, 3.96 A or (resid 84 and name HN) (resid 83 and name HN) ! 0.2984 27:10 ----- 4.24, 4.33 A assign (resid 27 and name HN) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.9789 28:10 Long 3.68, 3.89 A assign (resid 100 and name HN) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.0000 29:10 Seq 4.37, 4.45 A assign (resid 35 and name HN) (resid 32 and name HN) 3.65 1.85 1.85 ! 0.8947 30:10 Ambig 4.69, 4.80 A or (resid 27 and name HN) (resid 32 and name HN) ! 0.1053 30:10 ----- 6.70, 6.88 A assign (resid 9 and name HN) (resid 6 and name HN) 3.65 1.85 1.85 ! 0.5199 31:10 Ambig 3.92, 4.11 A or (resid 5 and name HN) (resid 6 and name HN) ! 0.2839 31:10 ----- 4.34, 4.41 A or (resid 8 and name HN) (resid 6 and name HN) ! 0.1962 31:10 ----- 4.61, 4.97 A assign (resid 25 and name HN) (resid 3 and name HN) 3.65 1.85 1.85 ! 0.8942 32:10 Ambig 4.22, 4.39 A or (resid 5 and name HN) (resid 3 and name HN) ! 0.1058 32:10 ----- 6.02, 6.13 A assign (resid 35 and name HN) (resid 34 and name HN) 2.65 0.85 0.85 ! 0.0000 33:10 Seq 2.49, 2.59 A assign (resid 35 and name HN) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.0000 34:10 Mid 4.14, 4.32 A assign (resid 35 and name HN) (resid 36 and name HN) 3.15 1.35 1.35 ! 0.9978 35:10 Seq 2.51, 2.66 A assign (resid 5 and name HN) (resid 4 and name HN) 3.65 1.85 1.85 ! 0.9673 36:10 Seq 4.36, 4.40 A assign (resid 8 and name HN) (resid 87 and name HN) 4.15 2.35 2.35 ! 0.6063 37:10 Ambig 4.64, 5.27 A or (resid 9 and name HN) (resid 87 and name HN) ! 0.3937 37:10 ----- 4.99, 5.50 A assign (resid 81 and name HN) (resid 82 and name HN) 3.65 1.85 1.85 ! 0.0000 38:10 Seq 4.34, 4.40 A assign (resid 15 and name HN) (resid 13 and name HN) 3.65 1.85 1.85 ! 0.0000 39:10 Mid 3.97, 4.17 A assign (resid 81 and name HN) (resid 80 and name HN) 2.30 0.50 0.50 ! 0.9681 40:10 Seq 2.45, 2.72 A assign (resid 15 and name HN) (resid 17 and name HN) 3.65 1.85 1.85 ! 0.0000 41:10 Mid 3.86, 4.02 A assign (resid 15 and name HN) (resid 14 and name HN) 2.65 0.85 0.85 ! 0.0000 42:10 Seq 2.32, 2.59 A assign (resid 15 and name HN) (resid 16 and name HN) 3.15 1.35 1.35 ! 0.0000 44:10 Seq 2.46, 2.60 A assign (resid 75 and name HN) (resid 72 and name HN) 3.65 1.85 1.85 ! 0.9530 45:10 Mid 4.63, 4.74 A assign (resid 14 and name HN) (resid 15 and name HN) 2.65 0.85 0.85 ! 0.0000 46:10 Seq 2.32, 2.59 A assign (resid 14 and name HN) (resid 13 and name HN) 3.15 1.35 1.35 ! 0.9947 47:10 Seq 2.52, 2.67 A assign (resid 6 and name HN) (resid 9 and name HN) 3.15 1.35 1.35 ! 0.6079 48:10 Ambig 3.92, 4.11 A or (resid 3 and name HN) (resid 25 and name HN) ! 0.3921 48:10 ----- 4.22, 4.39 A assign (resid 3 and name HN) (resid 4 and name HN) 3.65 1.85 1.85 ! 0.9314 49:10 Ambig 3.98, 4.04 A or (resid 6 and name HN) (resid 4 and name HN) ! 0.0686 49:10 ----- 6.15, 6.41 A assign (resid 3 and name HN) (resid 26 and name HN) 3.15 1.35 1.35 ! 0.9922 50:10 Long 3.31, 3.43 A assign (resid 3 and name HN) (resid 24 and name HN) 3.15 1.35 1.35 ! 0.0000 51:10 Long 3.37, 3.60 A assign (resid 22 and name HN) (resid 23 and name HN) 3.65 1.85 1.85 ! 0.9967 52:10 Seq 2.46, 2.87 A assign (resid 6 and name HN) (resid 84 and name HN) 3.15 1.35 1.35 ! 0.7792 53:10 Ambig 3.39, 3.67 A or (resid 85 and name HN) (resid 84 and name HN) ! 0.2102 53:10 ----- 4.22, 4.29 A assign (resid 43 and name HN) (resid 42 and name HN) 2.65 0.85 0.85 ! 0.0000 54:10 Seq 1.80, 2.07 A assign (resid 43 and name HN) (resid 45 and name HN) 3.65 1.85 1.85 ! 0.0000 55:10 Mid 3.76, 4.00 A assign (resid 43 and name HN) (resid 47 and name HN) 4.15 2.35 2.35 ! 0.0000 56:10 Mid 5.72, 5.87 A assign (resid 85 and name HN) (resid 87 and name HN) 4.15 2.35 2.35 ! 0.8483 57:10 Ambig 5.00, 5.43 A or (resid 6 and name HN) (resid 87 and name HN) ! 0.1517 57:10 ----- 6.67, 7.05 A assign (resid 89 and name HN) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.0000 58:10 Seq 2.62, 2.79 A assign (resid 51 and name HN) (resid 50 and name HN) 3.65 1.85 1.85 ! 0.0000 59:10 Seq 4.36, 4.48 A assign (resid 83 and name HN) (resid 102 and name HN) 3.15 1.35 1.35 ! 0.0000 60:10 Long 3.68, 3.96 A assign (resid 89 and name HN) (resid 91 and name HN) 3.65 1.85 1.85 ! 0.8022 61:10 Ambig 3.80, 3.93 A or (resid 94 and name HN) (resid 91 and name HN) ! 0.1978 61:10 ----- 4.80, 4.91 A assign (resid 83 and name HN) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.4728 62:10 Ambig 4.24, 4.48 A or (resid 95 and name HN) (resid 101 and name HN) ! 0.4618 62:10 ----- 4.26, 4.54 A or (resid 94 and name HN) (resid 101 and name HN) ! 0.0654 62:10 ----- 5.90, 6.25 A assign (resid 83 and name HN) (resid 100 and name HN) 3.65 1.85 1.85 ! 0.9670 63:10 Long 3.96, 4.22 A assign (resid 51 and name HN) (resid 27 and name HN) 3.65 1.85 1.85 ! 0.9855 65:10 Long 3.68, 3.89 A assign (resid 71 and name HN) (resid 69 and name HN) 3.65 1.85 1.85 ! 0.0000 66:10 Mid 3.81, 3.97 A assign (resid 54 and name HN) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.9479 67:10 Ambig 4.23, 4.42 A or (resid 71 and name HN) (resid 55 and name HN) ! 0.0521 67:10 ----- 6.86, 7.72 A assign (resid 83 and name HN) (resid 82 and name HN) 3.65 1.85 1.85 ! 0.0000 69:10 Seq 4.35, 4.43 A assign (resid 71 and name HN) (resid 72 and name HN) 2.65 0.85 0.85 ! 0.0000 70:10 Seq 2.49, 2.66 A assign (resid 36 and name HN) (resid 35 and name HN) 3.15 1.35 1.35 ! 0.0000 71:10 Seq 2.51, 2.66 A assign (resid 36 and name HN) (resid 37 and name HN) 2.65 0.85 0.85 ! 0.0000 72:10 Seq 2.67, 2.84 A assign (resid 95 and name HN) (resid 96 and name HN) 2.65 0.85 0.85 ! 0.8968 73:10 Ambig 2.48, 2.56 A or (resid 94 and name HN) (resid 96 and name HN) ! 0.0544 73:10 ----- 3.95, 4.08 A assign (resid 95 and name HN) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.7426 74:10 Ambig 3.83, 3.95 A or (resid 94 and name HN) (resid 97 and name HN) ! 0.2130 74:10 ----- 4.71, 4.84 A assign (resid 104 and name HN) (resid 105 and name HN) 3.15 1.35 1.35 ! 0.0000 75:10 Seq 2.59, 2.79 A assign (resid 104 and name HN) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 76:10 Mid 3.94, 4.15 A assign (resid 16 and name HN) (resid 13 and name HN) 3.65 1.85 1.85 ! 0.0000 77:10 Mid 4.91, 5.07 A assign (resid 92 and name HN) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.9544 78:10 Seq 2.55, 2.73 A assign (resid 42 and name HN) (resid 43 and name HN) 2.65 0.85 0.85 ! 0.9990 79:10 Seq 1.80, 2.07 A assign (resid 53 and name HN) (resid 27 and name HN) 3.65 1.85 1.85 ! 0.8791 80:10 Ambig 3.28, 3.56 A or (resid 52 and name HN) (resid 27 and name HN) ! 0.1209 80:10 ----- 4.57, 4.66 A assign (resid 16 and name HN) (resid 15 and name HN) 2.65 0.85 0.85 ! 0.9377 81:10 Ambig 2.46, 2.60 A or (resid 17 and name HN) (resid 15 and name HN) ! 0.0623 81:10 ----- 3.86, 4.02 A assign (resid 99 and name HN) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.0000 82:10 Mid 4.72, 4.91 A assign (resid 53 and name HN) (resid 29 and name HN) 3.65 1.85 1.85 ! 0.0000 83:10 Long 3.66, 4.35 A assign (resid 16 and name HN) (resid 14 and name HN) 3.65 1.85 1.85 ! 0.6684 84:10 Ambig 4.23, 4.39 A or (resid 17 and name HN) (resid 14 and name HN) ! 0.3316 84:10 ----- 4.75, 4.90 A assign (resid 47 and name HN) (resid 48 and name HN) 2.65 0.85 0.85 ! 0.0000 85:10 Seq 2.67, 2.77 A assign (resid 98 and name HN) (resid 99 and name HN) 2.65 0.85 0.85 ! 0.9931 86:10 Seq 2.06, 2.21 A assign (resid 10 and name HN) (resid 13 and name HN) 4.15 2.35 2.35 ! 0.0000 87:10 Mid 5.12, 5.84 A assign (resid 99 and name HN) (resid 100 and name HN) 3.65 1.85 1.85 ! 0.0000 88:10 Seq 4.37, 4.45 A assign (resid 10 and name HN) (resid 9 and name HN) 2.30 0.50 0.50 ! 0.6918 89:10 Ambig 2.15, 2.44 A or (resid 34 and name HN) (resid 35 and name HN) ! 0.2883 89:10 ----- 2.49, 2.59 A assign (resid 99 and name HN) (resid 94 and name HN) 4.15 2.35 2.35 ! 0.0000 92:10 Long 6.07, 6.23 A assign (resid 79 and name HN) (resid 81 and name HN) 3.15 1.35 1.35 ! 0.9037 93:10 Ambig 3.60, 4.07 A or (resid 76 and name HN) (resid 81 and name HN) ! 0.0793 93:10 ----- 5.41, 5.59 A assign (resid 34 and name HN) (resid 36 and name HN) 3.65 1.85 1.85 ! 0.5643 94:10 Ambig 3.96, 4.10 A or (resid 99 and name HN) (resid 95 and name HN) ! 0.2465 94:10 ----- 4.55, 4.75 A or (resid 40 and name HN) (resid 36 and name HN) ! 0.1892 94:10 ----- 4.76, 4.89 A assign (resid 99 and name HN) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.0000 95:10 Mid 3.33, 3.57 A assign (resid 24 and name HN) (resid 23 and name HN) 3.15 1.35 1.35 ! 0.0000 96:10 Seq 4.17, 4.38 A assign (resid 24 and name HN) (resid 3 and name HN) 3.15 1.35 1.35 ! 0.0000 97:10 Long 3.37, 3.60 A assign (resid 79 and name HN) (resid 80 and name HN) 2.65 0.85 0.85 ! 0.0000 98:10 Seq 2.12, 2.35 A assign (resid 108 and name HN) (resid 105 and name HN) 3.65 1.85 1.85 ! 0.9587 99:10 Mid 4.49, 4.63 A assign (resid 31 and name HN) (resid 32 and name HN) 2.65 0.85 0.85 ! 0.0000 101:10 Seq 2.64, 2.76 A assign (resid 110 and name HN) (resid 109 and name HN) 2.65 0.85 0.85 ! 0.5975 102:10 Ambig 2.38, 2.56 A or (resid 108 and name HN) (resid 109 and name HN) ! 0.4025 102:10 ----- 2.54, 2.66 A assign (resid 108 and name HN) (resid 107 and name HN) 2.65 0.85 0.85 ! 0.9733 103:10 Seq 2.43, 2.62 A assign (resid 31 and name HN) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.0000 104:10 Seq 2.24, 2.42 A assign (resid 108 and name HN) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.9331 105:10 Ambig 3.66, 3.91 A or (resid 110 and name HN) (resid 106 and name HN) ! 0.0669 105:10 ----- 5.67, 6.08 A assign (resid 37 and name HN) (resid 36 and name HN) 2.65 0.85 0.85 ! 0.9984 106:10 Seq 2.67, 2.84 A assign (resid 73 and name HN) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.6503 107:10 Ambig 4.02, 4.20 A or (resid 74 and name HN) (resid 71 and name HN) ! 0.3187 107:10 ----- 4.53, 4.64 A assign (resid 71 and name HN) (resid 75 and name HN) 4.15 2.35 2.35 ! 0.0000 108:10 Mid 5.85, 5.97 A assign (resid 44 and name HN) (resid 45 and name HN) 3.15 1.35 1.35 ! 0.9943 109:10 Seq 2.55, 2.65 A assign (resid 73 and name HN) (resid 72 and name HN) 2.65 0.85 0.85 ! 0.0000 111:10 Seq 2.58, 2.70 A assign (resid 80 and name HN) (resid 81 and name HN) 2.30 0.50 0.50 ! 0.0000 112:10 Seq 2.45, 2.72 A assign (resid 44 and name HN) (resid 43 and name HN) 2.65 0.85 0.85 ! 0.0000 113:10 Seq 2.43, 2.65 A assign (resid 80 and name HN) (resid 77 and name HN) 3.65 1.85 1.85 ! 0.8570 115:10 Ambig 4.35, 4.53 A or (resid 73 and name HN) (resid 77 and name HN) ! 0.1430 115:10 ----- 5.86, 5.97 A assign (resid 49 and name HN) (resid 48 and name HN) 2.65 0.85 0.85 ! 0.9957 117:10 Seq 2.37, 2.53 A assign (resid 49 and name HN) (resid 50 and name HN) 2.65 0.85 0.85 ! 0.0000 118:10 Seq 1.97, 2.08 A assign (resid 105 and name HN) (resid 108 and name HN) 3.65 1.85 1.85 ! 0.0000 119:10 Mid 4.49, 4.63 A assign (resid 27 and name HN) (resid 28 and name HN) 3.65 1.85 1.85 ! 0.5517 122:10 Ambig 4.34, 4.40 A or (resid 5 and name HN) (resid 28 and name HN) ! 0.3983 122:10 ----- 4.58, 4.93 A or (resid 55 and name HN) (resid 28 and name HN) ! 0.0325 122:10 ----- 6.95, 7.91 A assign (resid 35 and name HN) (resid 31 and name HN) 4.15 2.35 2.35 ! 0.5472 123:10 Ambig 5.97, 6.09 A or (resid 55 and name HN) (resid 31 and name HN) ! 0.3098 123:10 ----- 6.56, 7.57 A or (resid 27 and name HN) (resid 31 and name HN) ! 0.1430 123:10 ----- 7.47, 7.61 A assign (resid 9 and name HN) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.7406 124:10 Ambig 3.52, 3.90 A or (resid 8 and name HN) (resid 86 and name HN) ! 0.2594 124:10 ----- 4.19, 4.64 A assign (resid 75 and name HN) (resid 73 and name HN) 3.65 1.85 1.85 ! 0.8633 125:10 Ambig 4.20, 4.30 A or (resid 77 and name HN) (resid 73 and name HN) ! 0.1161 125:10 ----- 5.86, 5.97 A assign (resid 85 and name HN) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.7515 126:10 Ambig 4.23, 4.29 A or (resid 6 and name HN) (resid 86 and name HN) ! 0.2485 126:10 ----- 5.09, 5.52 A assign (resid 43 and name HN) (resid 44 and name HN) 2.65 0.85 0.85 ! 0.0000 127:10 Seq 2.43, 2.65 A assign (resid 32 and name HN) (resid 33 and name HN) 2.65 0.85 0.85 ! 0.0000 128:10 Seq 2.64, 2.72 A assign (resid 32 and name HN) (resid 31 and name HN) 3.15 1.35 1.35 ! 0.0000 129:10 Seq 2.64, 2.76 A assign (resid 71 and name HN) (resid 73 and name HN) 3.65 1.85 1.85 ! 0.9705 131:10 Mid 4.02, 4.20 A assign (resid 71 and name HN) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.0000 132:10 Seq 2.57, 2.72 A assign (resid 36 and name HN) (resid 38 and name HN) 3.65 1.85 1.85 ! 0.0000 133:10 Mid 4.01, 4.11 A assign (resid 95 and name HN) (resid 98 and name HN) 3.65 1.85 1.85 ! 0.8648 134:10 Ambig 4.66, 4.96 A or (resid 94 and name HN) (resid 98 and name HN) ! 0.1352 134:10 ----- 6.35, 6.60 A assign (resid 111 and name HN) (resid 108 and name HN) 3.65 1.85 1.85 ! 0.7804 135:10 Ambig 4.79, 5.25 A or (resid 104 and name HN) (resid 108 and name HN) ! 0.2196 135:10 ----- 5.92, 6.04 A assign (resid 93 and name HN) (resid 92 and name HD21) 3.65 1.85 1.85 ! 0.9668 136:10 Seq 1.99, 3.19 A assign (resid 93 and name HN) (resid 92 and name HD22) 3.65 1.85 1.85 ! 0.7817 137:10 Ambig 3.22, 4.55 A or (resid 92 and name HN) (resid 92 and name HD22) ! 0.1937 137:10 ----- 4.06, 5.60 A assign (resid 17 and name HN) (resid 19 and name HN) 3.15 1.35 1.35 ! 0.0000 138:10 Mid 3.96, 4.09 A assign (resid 42 and name HN) (resid 44 and name HN) 3.65 1.85 1.85 ! 0.8837 139:10 Ambig 3.27, 3.99 A or (resid 47 and name HN) (resid 44 and name HN) ! 0.1163 139:10 ----- 4.58, 4.66 A assign (resid 47 and name HN) (resid 49 and name HN) 3.65 1.85 1.85 ! 0.0000 140:10 Mid 4.00, 4.08 A assign (resid 17 and name HN) (resid 18 and name HN) 2.65 0.85 0.85 ! 0.9877 141:10 Seq 2.40, 2.61 A assign (resid 46 and name HN) (resid 44 and name HN) 3.65 1.85 1.85 ! 0.0000 142:10 Mid 4.20, 4.35 A assign (resid 34 and name HN) (resid 33 and name HN) 3.15 1.35 1.35 ! 0.0000 143:10 Seq 2.54, 2.62 A assign (resid 40 and name HN) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.9525 144:10 Mid 3.60, 3.85 A assign (resid 40 and name HN) (resid 39 and name HN) 2.65 0.85 0.85 ! 0.9995 145:10 Seq 2.16, 2.47 A assign (resid 99 and name HN) (resid 98 and name HN) 2.65 0.85 0.85 ! 0.0000 146:10 Seq 2.06, 2.21 A assign (resid 37 and name HN) (resid 38 and name HN) 2.65 0.85 0.85 ! 0.0000 147:10 Seq 2.49, 2.63 A assign (resid 80 and name HN) (resid 80 and name HD21) 3.65 1.85 1.85 ! 0.0000 148:10 Intra 2.19, 4.57 A assign (resid 37 and name HN) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.0000 149:10 Mid 3.86, 4.04 A assign (resid 90 and name HN) (resid 88 and name HN) 3.65 1.85 1.85 ! 0.0000 150:10 Mid 4.11, 4.26 A assign (resid 90 and name HN) (resid 89 and name HN) 2.65 0.85 0.85 ! 0.9970 152:10 Seq 2.21, 2.30 A assign (resid 96 and name HN) (resid 95 and name HN) 2.65 0.85 0.85 ! 0.9436 153:10 Ambig 2.48, 2.56 A or (resid 39 and name HN) (resid 36 and name HN) ! 0.0225 153:10 ----- 4.61, 4.87 A assign (resid 98 and name HN) (resid 97 and name HN) 2.30 0.50 0.50 ! 0.5857 154:10 Ambig 2.31, 2.49 A or (resid 96 and name HN) (resid 97 and name HN) ! 0.4134 154:10 ----- 2.45, 2.57 A assign (resid 90 and name HN) (resid 87 and name HN) 3.65 1.85 1.85 ! 0.0000 156:10 Mid 4.76, 4.95 A assign (resid 90 and name HN) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.9922 157:10 Seq 2.57, 2.70 A assign (resid 29 and name HN) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.0000 158:10 Long 3.25, 4.55 A assign (resid 92 and name HD21) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.6478 159:10 Ambig 3.49, 4.49 A or (resid 90 and name HN) (resid 92 and name HN) ! 0.3261 159:10 ----- 3.91, 4.04 A assign (resid 29 and name HN) (resid 53 and name HN) 3.65 1.85 1.85 ! 0.0000 160:10 Long 3.66, 4.35 A assign (resid 29 and name HN) (resid 54 and name HN) 3.65 1.85 1.85 ! 0.0000 161:10 Long 4.66, 5.10 A assign (resid 70 and name HN) (resid 69 and name HN) 2.65 0.85 0.85 ! 0.9978 162:10 Seq 2.16, 2.35 A assign (resid 39 and name HN) (resid 40 and name HN) 2.30 0.50 0.50 ! 0.6983 163:10 Ambig 2.16, 2.47 A or (resid 33 and name HN) (resid 34 and name HN) ! 0.2663 163:10 ----- 2.54, 2.62 A assign (resid 29 and name HN) (resid 30 and name HN) 3.65 1.85 1.85 ! 0.9809 165:10 Seq 2.42, 2.62 A assign (resid 12 and name HN) (resid 13 and name HN) 2.65 0.85 0.85 ! 0.9996 166:10 Seq 2.06, 2.28 A assign (resid 70 and name HN) (resid 72 and name HN) 3.65 1.85 1.85 ! 0.9581 167:10 Mid 4.00, 4.19 A assign (resid 70 and name HN) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.9865 168:10 Seq 2.57, 2.72 A assign (resid 33 and name HN) (resid 35 and name HN) 3.15 1.35 1.35 ! 0.7355 169:10 Ambig 3.95, 4.09 A or (resid 38 and name HN) (resid 35 and name HN) ! 0.2645 169:10 ----- 4.68, 4.79 A assign (resid 18 and name HN) (resid 15 and name HN) 3.65 1.85 1.85 ! 0.7198 170:10 Ambig 4.52, 4.65 A or (resid 12 and name HN) (resid 15 and name HN) ! 0.2802 170:10 ----- 5.29, 5.52 A assign (resid 38 and name HN) (resid 37 and name HN) 2.65 0.85 0.85 ! 0.9946 171:10 Seq 2.49, 2.63 A assign (resid 18 and name HN) (resid 17 and name HN) 3.15 1.35 1.35 ! 0.9966 172:10 Seq 2.40, 2.61 A assign (resid 12 and name HN) (resid 10 and name HN) 3.65 1.85 1.85 ! 0.0000 173:10 Mid 4.49, 4.73 A assign (resid 12 and name HN) (resid 14 and name HN) 3.65 1.85 1.85 ! 0.8492 174:10 Ambig 4.22, 4.66 A or (resid 18 and name HN) (resid 14 and name HN) ! 0.1508 174:10 ----- 5.63, 5.96 A assign (resid 91 and name HN) (resid 87 and name HN) 3.65 1.85 1.85 ! 0.0000 175:10 Mid 4.38, 4.67 A assign (resid 91 and name HN) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.0000 176:10 Seq 2.55, 2.73 A assign (resid 107 and name HN) (resid 106 and name HN) 2.65 0.85 0.85 ! 0.0000 178:10 Seq 2.26, 2.39 A assign (resid 107 and name HN) (resid 105 and name HN) 3.65 1.85 1.85 ! 0.0000 179:10 Mid 3.75, 4.03 A assign (resid 82 and name HN) (resid 4 and name HN) 3.65 1.85 1.85 ! 0.0000 180:10 Long 3.47, 3.59 A assign (resid 100 and name HD21) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.6972 181:10 Ambig 3.79, 5.15 A or (resid 82 and name HN) (resid 83 and name HN) ! 0.3028 181:10 ----- 4.35, 4.43 A assign (resid 82 and name HN) (resid 3 and name HN) 3.65 1.85 1.85 ! 0.0000 182:10 Long 4.50, 4.61 A assign (resid 80 and name HD21) (resid 81 and name HN) 3.15 1.35 1.35 ! 0.7141 183:10 Ambig 3.73, 4.79 A or (resid 82 and name HN) (resid 81 and name HN) ! 0.2859 183:10 ----- 4.34, 4.40 A assign (resid 77 and name HE*) (resid 77 and name HN) 4.15 2.35 2.35 ! 0.0000 184:10 Intra 6.90, 6.96 A assign (resid 22 and name HD22) (resid 23 and name HN) 4.15 2.35 2.35 ! 0.0000 185:10 Seq 5.29, 5.97 A assign (resid 100 and name HD21) (resid 100 and name HN) 3.65 1.85 1.85 ! 0.4453 186:10 Ambig 4.53, 4.78 A or (resid 80 and name HD21) (resid 100 and name HN) ! 0.4228 186:10 ----- 4.57, 6.18 A or (resid 82 and name HN) (resid 100 and name HN) ! 0.1319 186:10 ----- 5.54, 6.00 A assign (resid 19 and name HN) (resid 20 and name HN) 3.65 1.85 1.85 ! 0.0000 188:10 Seq 2.20, 2.41 A assign (resid 10 and name HE*) (resid 10 and name HN) 3.65 1.85 1.85 ! 0.0000 189:10 Intra 4.49, 5.53 A assign (resid 48 and name HN) (resid 45 and name HN) 3.65 1.85 1.85 ! 0.0000 190:10 Mid 4.53, 4.67 A assign (resid 48 and name HN) (resid 47 and name HN) 2.65 0.85 0.85 ! 0.0000 191:10 Seq 2.67, 2.77 A assign (resid 48 and name HN) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.0000 192:10 Mid 3.99, 4.17 A assign (resid 19 and name HN) (resid 17 and name HN) 3.65 1.85 1.85 ! 0.0000 193:10 Mid 3.96, 4.09 A assign (resid 97 and name HN) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.0000 194:10 Mid 3.33, 3.57 A assign (resid 97 and name HN) (resid 96 and name HN) 2.65 0.85 0.85 ! 0.0000 195:10 Seq 2.45, 2.57 A assign (resid 97 and name HN) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.0000 196:10 Mid 3.83, 3.95 A assign (resid 55 and name HD*) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.8965 198:10 Ambig 3.16, 4.58 A or (resid 55 and name HE*) (resid 55 and name HN) ! 0.1035 198:10 ----- 4.53, 6.75 A assign (resid 2 and name HD*) (resid 80 and name HN) 4.15 2.35 2.35 ! 0.0000 199:10 Long 5.74, 7.68 A assign (resid 86 and name HN) (resid 10 and name HN) 4.15 2.35 2.35 ! 0.0000 200:10 Long 5.18, 5.58 A assign (resid 86 and name HN) (resid 85 and name HN) 3.65 1.85 1.85 ! 0.9537 201:10 Seq 4.23, 4.29 A assign (resid 25 and name HD*) (resid 25 and name HN) 3.15 1.35 1.35 ! 0.9552 202:10 Intra 2.11, 3.52 A assign (resid 25 and name HD*) (resid 26 and name HN) 3.65 1.85 1.85 ! 0.0000 203:10 Seq 3.50, 4.91 A assign (resid 25 and name HD*) (resid 24 and name HN) 3.65 1.85 1.85 ! 0.4007 204:10 Ambig 5.18, 6.27 A or (resid 55 and name HD*) (resid 76 and name HN) ! 0.3738 204:10 ----- 5.24, 7.50 A or (resid 55 and name HE*) (resid 76 and name HN) ! 0.2255 204:10 ----- 5.70, 7.98 A assign (resid 25 and name HD*) (resid 24 and name HN) 3.65 1.85 1.85 ! 0.0000 205:10 Seq 5.18, 6.27 A assign (resid 86 and name HN) (resid 87 and name HN) 2.65 0.85 0.85 ! 0.0000 206:10 Seq 1.93, 2.18 A assign (resid 101 and name HN) (resid 100 and name HN) 3.15 1.35 1.35 ! 0.0000 207:10 Seq 3.83, 4.03 A assign (resid 25 and name HD*) (resid 4 and name HN) 4.15 2.35 2.35 ! 0.0000 208:10 Long 5.50, 7.31 A assign (resid 72 and name HN) (resid 75 and name HN) 3.65 1.85 1.85 ! 0.0000 209:10 Mid 4.63, 4.74 A assign (resid 77 and name HD*) (resid 81 and name HN) 4.15 2.35 2.35 ! 0.0000 210:10 Mid 6.36, 7.31 A assign (resid 77 and name HD*) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.0000 211:10 Intra 4.60, 4.69 A assign (resid 101 and name HN) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.0000 212:10 Long 4.26, 4.54 A assign (resid 101 and name HN) (resid 102 and name HN) 3.15 1.35 1.35 ! 0.9530 213:10 Seq 4.32, 4.39 A assign (resid 106 and name HN) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.0000 215:10 Mid 4.26, 4.52 A assign (resid 106 and name HN) (resid 107 and name HN) 2.65 0.85 0.85 ! 0.0000 216:10 Seq 2.26, 2.39 A assign (resid 13 and name HN) (resid 15 and name HN) 3.65 1.85 1.85 ! 0.0000 217:10 Mid 3.97, 4.17 A assign (resid 106 and name HN) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.0000 218:10 Mid 3.94, 4.15 A assign (resid 13 and name HN) (resid 12 and name HN) 2.65 0.85 0.85 ! 0.0000 219:10 Seq 2.06, 2.28 A assign (resid 106 and name HN) (resid 105 and name HN) 2.65 0.85 0.85 ! 0.0000 220:10 Seq 2.48, 2.62 A assign (resid 13 and name HN) (resid 14 and name HN) 3.15 1.35 1.35 ! 0.0000 221:10 Seq 2.52, 2.67 A assign (resid 45 and name HN) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.0000 222:10 Mid 3.76, 4.00 A assign (resid 23 and name HN) (resid 24 and name HN) 3.15 1.35 1.35 ! 0.0000 223:10 Seq 4.17, 4.38 A assign (resid 45 and name HN) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.0000 224:10 Mid 3.61, 3.88 A assign (resid 45 and name HN) (resid 46 and name HN) 2.65 0.85 0.85 ! 0.0000 225:10 Seq 2.41, 2.59 A assign (resid 45 and name HN) (resid 48 and name HN) 3.65 1.85 1.85 ! 0.0000 226:10 Mid 4.53, 4.67 A assign (resid 72 and name HN) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.0000 227:10 Seq 2.49, 2.66 A assign (resid 72 and name HN) (resid 69 and name HN) 3.65 1.85 1.85 ! 0.0000 228:10 Mid 4.61, 4.82 A assign (resid 92 and name HD22) (resid 92 and name HN) 4.15 2.35 2.35 ! 0.0000 231:10 Intra 4.06, 5.60 A assign (resid 80 and name HD22) (resid 80 and name HN) 4.15 2.35 2.35 ! 0.0000 232:10 Intra 3.85, 5.70 A assign (resid 69 and name HN) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.9041 234:10 Ambig 3.81, 3.97 A or (resid 68 and name HD*) (resid 71 and name HN) ! 0.0959 234:10 ----- 5.54, 6.60 A assign (resid 69 and name HN) (resid 72 and name HN) 3.65 1.85 1.85 ! 0.0000 235:10 Mid 4.61, 4.82 A assign (resid 23 and name HD*) (resid 24 and name HN) 3.15 1.35 1.35 ! 0.9597 236:10 Seq 3.45, 4.81 A assign (resid 23 and name HD*) (resid 23 and name HN) 2.65 0.85 0.85 ! 0.9677 237:10 Intra 2.78, 4.04 A assign (resid 34 and name HD*) (resid 10 and name HN) 4.15 2.35 2.35 ! 0.7304 238:10 Ambig 5.01, 7.59 A or (resid 10 and name HZ) (resid 10 and name HN) ! 0.2696 238:10 ----- 5.92, 6.25 A assign (resid 87 and name HN) (resid 88 and name HN) 3.65 1.85 1.85 ! 0.0000 239:10 Seq 4.32, 4.46 A assign (resid 87 and name HN) (resid 90 and name HN) 3.65 1.85 1.85 ! 0.0000 240:10 Mid 4.76, 4.95 A assign (resid 87 and name HN) (resid 89 and name HN) 4.15 2.35 2.35 ! 0.0000 241:10 Mid 5.37, 5.60 A assign (resid 28 and name HA) (resid 29 and name HN) 3.15 1.35 1.35 ! 0.0000 246:10 Seq 2.31, 2.47 A assign (resid 101 and name HA) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.0000 248:10 Intra 2.89, 2.92 A assign (resid 101 and name HA) (resid 83 and name HN) 3.15 1.35 1.35 ! 0.0000 249:10 Long 2.31, 2.62 A assign (resid 101 and name HA) (resid 102 and name HN) 2.65 0.85 0.85 ! 0.0000 251:10 Seq 2.09, 2.14 A assign (resid 103 and name HA) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.0000 254:10 Long 2.97, 3.32 A assign (resid 25 and name HA) (resid 25 and name HN) 3.15 1.35 1.35 ! 0.9652 255:10 Intra 2.82, 2.84 A assign (resid 25 and name HA) (resid 26 and name HN) 2.65 0.85 0.85 ! 0.9964 256:10 Seq 2.02, 2.07 A assign (resid 103 and name HA) (resid 104 and name HN) 2.65 0.85 0.85 ! 0.0000 257:10 Seq 2.27, 2.34 A assign (resid 103 and name HA) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 258:10 Mid 4.53, 4.72 A assign (resid 103 and name HA) (resid 105 and name HN) 3.65 1.85 1.85 ! 0.0000 259:10 Mid 4.23, 4.46 A assign (resid 2 and name HA) (resid 3 and name HN) 2.30 0.50 0.50 ! 0.6586 260:10 Ambig 2.21, 2.25 A or (resid 25 and name HA) (resid 3 and name HN) ! 0.3414 260:10 ----- 2.47, 2.74 A assign (resid 2 and name HA) (resid 24 and name HN) 3.15 1.35 1.35 ! 0.9862 261:10 Long 2.33, 2.54 A assign (resid 2 and name HA) (resid 82 and name HN) 3.65 1.85 1.85 ! 0.0000 262:10 Long 4.89, 5.04 A assign (resid 83 and name HA) (resid 82 and name HN) 3.65 1.85 1.85 ! 0.0000 265:10 Seq 4.78, 4.86 A assign (resid 83 and name HA) (resid 84 and name HN) 2.65 0.85 0.85 ! 0.0000 266:10 Seq 2.07, 2.09 A assign (resid 52 and name HA) (resid 53 and name HN) 2.65 0.85 0.85 ! 0.9904 267:10 Seq 2.09, 2.15 A assign (resid 83 and name HA) (resid 4 and name HN) 3.15 1.35 1.35 ! 0.9958 268:10 Long 2.75, 2.84 A assign (resid 83 and name HA) (resid 83 and name HN) 3.15 1.35 1.35 ! 0.0000 269:10 Intra 2.91, 2.93 A assign (resid 52 and name HA) (resid 52 and name HN) 3.15 1.35 1.35 ! 0.9661 270:10 Intra 2.90, 2.92 A assign (resid 26 and name HA) (resid 51 and name HN) 3.15 1.35 1.35 ! 0.9821 272:10 Long 2.55, 2.68 A assign (resid 26 and name HA) (resid 27 and name HN) 2.65 0.85 0.85 ! 0.7426 273:10 Ambig 2.12, 2.17 A or (resid 52 and name HA) (resid 27 and name HN) ! 0.2574 273:10 ----- 2.52, 2.72 A assign (resid 26 and name HA) (resid 26 and name HN) 3.15 1.35 1.35 ! 0.9866 274:10 Intra 2.93, 2.94 A assign (resid 69 and name HA) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.0000 275:10 Intra 2.85, 2.87 A assign (resid 69 and name HA) (resid 72 and name HN) 3.65 1.85 1.85 ! 0.0000 276:10 Mid 2.88, 3.34 A assign (resid 3 and name HA) (resid 4 and name HN) 2.65 0.85 0.85 ! 0.0000 277:10 Seq 2.09, 2.11 A assign (resid 3 and name HA) (resid 3 and name HN) 3.15 1.35 1.35 ! 0.0000 278:10 Intra 2.92, 2.93 A assign (resid 3 and name HA) (resid 82 and name HN) 2.65 0.85 0.85 ! 0.0000 279:10 Long 2.39, 2.57 A assign (resid 12 and name HA) (resid 13 and name HN) 3.15 1.35 1.35 ! 0.0000 280:10 Seq 2.91, 3.07 A assign (resid 12 and name HA) (resid 12 and name HN) 2.65 0.85 0.85 ! 0.0000 281:10 Intra 2.90, 2.94 A assign (resid 102 and name HA) (resid 107 and name HN) 4.15 2.35 2.35 ! 0.0000 282:10 Long 5.94, 6.25 A assign (resid 12 and name HA) (resid 14 and name HN) 3.65 1.85 1.85 ! 0.0000 283:10 Mid 3.28, 3.60 A assign (resid 102 and name HA) (resid 106 and name HN) 4.15 2.35 2.35 ! 0.0000 284:10 Mid 5.80, 6.21 A assign (resid 4 and name HA) (resid 5 and name HN) 2.65 0.85 0.85 ! 0.8637 285:10 Ambig 2.06, 2.10 A or (resid 27 and name HA) (resid 5 and name HN) ! 0.1363 285:10 ----- 2.81, 2.99 A assign (resid 4 and name HA) (resid 4 and name HN) 3.15 1.35 1.35 ! 0.9937 286:10 Intra 2.91, 2.91 A assign (resid 4 and name HA) (resid 26 and name HN) 3.15 1.35 1.35 ! 0.9811 287:10 Long 2.45, 2.58 A assign (resid 4 and name HA) (resid 82 and name HN) 4.15 2.35 2.35 ! 0.0000 288:10 Long 6.10, 6.22 A assign (resid 3 and name HA) (resid 81 and name HN) 4.15 2.35 2.35 ! 0.0000 309:10 Long 6.02, 6.31 A assign (resid 12 and name HN) (resid 11 and name HN) 3.65 1.85 1.85 ! 0.0000 336:10 Seq 2.71, 2.97 A assign (resid 70 and name HN) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.6387 337:10 Ambig 3.76, 4.06 A or (resid 67 and name HE21) (resid 68 and name HN) ! 0.3613 337:10 ----- 4.14, 5.73 A assign (resid 18 and name HN) (resid 19 and name HN) 2.65 0.85 0.85 ! 0.9977 338:10 Seq 2.36, 2.48 A assign (resid 29 and name HN) (resid 31 and name HN) 3.65 1.85 1.85 ! 0.6386 339:10 Ambig 3.55, 3.73 A or (resid 33 and name HN) (resid 31 and name HN) ! 0.3614 339:10 ----- 3.90, 4.03 A assign (resid 50 and name HN) (resid 49 and name HN) 2.65 0.85 0.85 ! 0.0000 341:10 Seq 1.97, 2.08 A assign (resid 109 and name HN) (resid 108 and name HN) 2.65 0.85 0.85 ! 0.0000 342:10 Seq 2.54, 2.66 A assign (resid 109 and name HN) (resid 110 and name HN) 3.15 1.35 1.35 ! 0.0000 343:10 Seq 2.38, 2.56 A assign (resid 19 and name HN) (resid 18 and name HN) 2.65 0.85 0.85 ! 0.0000 344:10 Seq 2.36, 2.48 A assign (resid 48 and name HN) (resid 49 and name HN) 2.65 0.85 0.85 ! 0.0000 346:10 Seq 2.37, 2.53 A assign (resid 97 and name HN) (resid 98 and name HN) 2.65 0.85 0.85 ! 0.0000 347:10 Seq 2.31, 2.49 A assign (resid 86 and name HN) (resid 8 and name HN) 3.65 1.85 1.85 ! 0.0000 348:10 Long 4.19, 4.64 A assign (resid 106 and name HN) (resid 108 and name HN) 3.15 1.35 1.35 ! 0.9687 350:10 Mid 3.66, 3.91 A assign (resid 45 and name HN) (resid 44 and name HN) 2.65 0.85 0.85 ! 0.0000 351:10 Seq 2.55, 2.65 A assign (resid 34 and name HE*) (resid 38 and name HN) 4.15 2.35 2.35 ! 0.0000 352:10 Mid 5.65, 6.57 A assign (resid 72 and name HN) (resid 73 and name HN) 3.15 1.35 1.35 ! 0.0000 353:10 Seq 2.58, 2.70 A assign (resid 72 and name HN) (resid 74 and name HN) 3.65 1.85 1.85 ! 0.0000 354:10 Mid 3.94, 4.11 A assign (resid 68 and name HD*) (resid 8 and name HN) 3.65 1.85 1.85 ! 0.0000 356:10 Long 4.31, 6.65 A assign (resid 87 and name HN) (resid 8 and name HN) 4.15 2.35 2.35 ! 0.0000 359:10 Long 4.64, 5.27 A assign (resid 28 and name HA) (resid 28 and name HN) 3.65 1.85 1.85 ! 0.0000 362:10 Intra 2.83, 2.87 A assign (resid 69 and name HA) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.0000 367:10 Seq 3.38, 3.48 A assign (resid 86 and name HA) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.9540 391:10 Long 3.19, 3.47 A assign (resid 86 and name HA) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.9913 393:10 Seq 3.24, 3.38 A assign (resid 53 and name HA) (resid 54 and name HN) 2.65 0.85 0.85 ! 0.0000 394:10 Seq 2.08, 2.16 A assign (resid 53 and name HA) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.9569 395:10 Intra 2.90, 2.93 A assign (resid 41 and name HA) (resid 42 and name HN) 2.65 0.85 0.85 ! 0.0000 396:10 Seq 2.04, 2.15 A assign (resid 81 and name HA) (resid 82 and name HN) 2.65 0.85 0.85 ! 0.0000 397:10 Seq 2.45, 2.50 A assign (resid 28 and name HB) (resid 72 and name HN) 3.65 1.85 1.85 ! 0.0000 398:10 Long 4.50, 4.83 A assign (resid 81 and name HA) (resid 81 and name HN) 2.65 0.85 0.85 ! 0.0000 399:10 Intra 2.89, 2.93 A assign (resid 81 and name HA) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.0000 400:10 Seq 4.87, 5.01 A assign (resid 9 and name HA) (resid 10 and name HN) 3.15 1.35 1.35 ! 0.0000 401:10 Seq 2.97, 3.16 A assign (resid 28 and name HB) (resid 29 and name HN) 3.15 1.35 1.35 ! 0.9947 402:10 Seq 2.10, 2.31 A assign (resid 100 and name HA) (resid 101 and name HN) 2.30 0.50 0.50 ! 0.9966 403:10 Seq 2.06, 2.11 A assign (resid 87 and name HA) (resid 88 and name HN) 2.65 0.85 0.85 ! 0.0000 404:10 Seq 1.95, 2.09 A assign (resid 100 and name HA) (resid 100 and name HN) 2.65 0.85 0.85 ! 0.7678 405:10 Ambig 2.86, 2.88 A or (resid 82 and name HA) (resid 100 and name HN) ! 0.2322 405:10 ----- 3.49, 3.82 A assign (resid 41 and name HA) (resid 41 and name HN) 3.65 1.85 1.85 ! 0.0000 406:10 Intra 2.78, 2.83 A assign (resid 28 and name HB) (resid 75 and name HN) 4.15 2.35 2.35 ! 0.0000 407:10 Long 6.00, 6.19 A assign (resid 28 and name HB) (resid 30 and name HN) 3.65 1.85 1.85 ! 0.0000 408:10 Mid 2.56, 2.75 A assign (resid 87 and name HA) (resid 87 and name HN) 2.65 0.85 0.85 ! 0.8108 409:10 Ambig 2.83, 2.89 A or (resid 85 and name HA) (resid 87 and name HN) ! 0.1872 409:10 ----- 3.61, 3.86 A assign (resid 23 and name HA) (resid 3 and name HN) 3.65 1.85 1.85 ! 0.9300 411:10 Ambig 4.58, 5.07 A or (resid 82 and name HA) (resid 3 and name HN) ! 0.0700 411:10 ----- 7.04, 7.15 A assign (resid 23 and name HA) (resid 24 and name HN) 2.30 0.50 0.50 ! 0.9966 412:10 Seq 2.07, 2.25 A assign (resid 89 and name HA) (resid 90 and name HN) 3.15 1.35 1.35 ! 0.8475 413:10 Ambig 3.36, 3.46 A or (resid 87 and name HA) (resid 90 and name HN) ! 0.1344 413:10 ----- 4.56, 4.70 A assign (resid 100 and name HA) (resid 102 and name HN) 3.65 1.85 1.85 ! 0.3867 414:10 Ambig 5.50, 5.75 A or (resid 82 and name HA) (resid 102 and name HN) ! 0.3866 414:10 ----- 5.50, 5.74 A or (resid 85 and name HA) (resid 102 and name HN) ! 0.2267 414:10 ----- 6.01, 6.25 A assign (resid 22 and name HA) (resid 23 and name HN) 2.30 0.50 0.50 ! 0.8936 415:10 Ambig 2.03, 3.29 A or (resid 23 and name HA) (resid 23 and name HN) ! 0.1064 415:10 ----- 2.89, 2.92 A assign (resid 28 and name HB) (resid 71 and name HN) 4.15 2.35 2.35 ! 0.0000 416:10 Long 5.60, 5.99 A assign (resid 85 and name HA) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.0000 417:10 Intra 2.89, 2.91 A assign (resid 111 and name HA) (resid 112 and name HN) 3.15 1.35 1.35 ! 0.8895 418:10 Ambig 2.03, 2.83 A or (resid 110 and name HA) (resid 112 and name HN) ! 0.1105 418:10 ----- 2.87, 4.66 A assign (resid 89 and name HA) (resid 89 and name HN) 2.65 0.85 0.85 ! 0.0000 420:10 Intra 2.83, 2.88 A assign (resid 89 and name HA) (resid 93 and name HN) 3.65 1.85 1.85 ! 0.0000 421:10 Mid 3.36, 3.73 A assign (resid 24 and name HA) (resid 25 and name HN) 2.30 0.50 0.50 ! 0.9797 422:10 Seq 2.05, 2.11 A assign (resid 51 and name HA) (resid 52 and name HN) 2.30 0.50 0.50 ! 0.0000 423:10 Seq 2.19, 2.29 A assign (resid 24 and name HA) (resid 26 and name HN) 4.15 2.35 2.35 ! 0.6937 424:10 Ambig 5.68, 5.91 A or (resid 51 and name HA) (resid 26 and name HN) ! 0.1645 424:10 ----- 7.22, 7.34 A or (resid 23 and name HA) (resid 26 and name HN) ! 0.1418 424:10 ----- 7.40, 7.91 A assign (resid 47 and name HA) (resid 47 and name HN) 2.65 0.85 0.85 ! 0.9771 425:10 Intra 2.75, 2.79 A assign (resid 110 and name HA) (resid 111 and name HN) 3.65 1.85 1.85 ! 0.0000 426:10 Seq 2.94, 3.21 A assign (resid 49 and name HA2) (resid 50 and name HN) 3.15 1.35 1.35 ! 0.9541 429:10 Seq 2.99, 3.20 A assign (resid 10 and name HA) (resid 13 and name HN) 3.15 1.35 1.35 ! 0.0000 431:10 Mid 3.00, 3.48 A assign (resid 10 and name HA) (resid 12 and name HN) 3.65 1.85 1.85 ! 0.0000 432:10 Mid 3.16, 3.36 A assign (resid 10 and name HA) (resid 10 and name HN) 2.65 0.85 0.85 ! 0.9919 433:10 Intra 2.81, 2.84 A assign (resid 48 and name HA) (resid 48 and name HN) 2.30 0.50 0.50 ! 0.7445 434:10 Ambig 2.85, 2.88 A or (resid 47 and name HA) (resid 48 and name HN) ! 0.2225 434:10 ----- 3.48, 3.53 A assign (resid 5 and name HA) (resid 5 and name HN) 3.65 1.85 1.85 ! 0.0000 435:10 Intra 2.90, 2.91 A assign (resid 112 and name HA) (resid 113 and name HN) 2.65 0.85 0.85 ! 0.0000 436:10 Seq 2.06, 2.52 A assign (resid 95 and name HA) (resid 99 and name HN) 2.30 0.50 0.50 ! 0.7584 437:10 Ambig 2.43, 2.94 A or (resid 98 and name HA2) (resid 99 and name HN) ! 0.2392 437:10 ----- 2.94, 3.08 A assign (resid 74 and name HA) (resid 75 and name HN) 3.15 1.35 1.35 ! 0.6056 438:10 Ambig 3.50, 3.52 A or (resid 74 and name HA) (resid 78 and name HN) ! 0.3944 438:10 ----- 3.76, 3.96 A assign (resid 95 and name HA) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.6891 439:10 Ambig 3.36, 3.48 A or (resid 92 and name HA) (resid 96 and name HN) ! 0.2712 439:10 ----- 3.93, 4.26 A assign (resid 30 and name HA) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.0000 440:10 Intra 2.81, 2.85 A assign (resid 92 and name HA) (resid 93 and name HN) 3.15 1.35 1.35 ! 0.9850 441:10 Seq 3.31, 3.54 A assign (resid 74 and name HA) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.9528 442:10 Mid 3.06, 3.21 A assign (resid 95 and name HA) (resid 95 and name HN) 2.65 0.85 0.85 ! 0.7213 443:10 Ambig 2.79, 2.83 A or (resid 92 and name HA) (resid 95 and name HN) ! 0.2736 443:10 ----- 3.28, 3.63 A assign (resid 92 and name HA) (resid 92 and name HN) 2.65 0.85 0.85 ! 0.9960 445:10 Intra 2.76, 2.79 A assign (resid 5 and name HA) (resid 84 and name HN) 3.15 1.35 1.35 ! 0.0000 446:10 Long 2.83, 3.13 A assign (resid 5 and name HA) (resid 6 and name HN) 2.65 0.85 0.85 ! 0.0000 447:10 Seq 2.11, 2.16 A assign (resid 80 and name HA) (resid 82 and name HN) 4.15 2.35 2.35 ! 0.0000 449:10 Mid 6.19, 6.34 A assign (resid 80 and name HA) (resid 81 and name HN) 2.30 0.50 0.50 ! 0.0000 450:10 Seq 2.14, 2.34 A assign (resid 80 and name HA) (resid 80 and name HN) 2.30 0.50 0.50 ! 0.0000 451:10 Intra 2.18, 2.24 A assign (resid 80 and name HA) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.0000 452:10 Seq 4.28, 4.50 A assign (resid 68 and name HA) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.9315 453:10 Ambig 3.44, 3.50 A or (resid 65 and name HA) (resid 69 and name HN) ! 0.0459 453:10 ----- 5.68, 6.14 A assign (resid 65 and name HA) (resid 65 and name HN) 2.65 0.85 0.85 ! 0.9934 454:10 Intra 2.84, 2.90 A assign (resid 97 and name HA) (resid 97 and name HN) 2.65 0.85 0.85 ! 0.9526 455:10 Intra 2.85, 2.88 A assign (resid 8 and name HB2) (resid 87 and name HN) 3.65 1.85 1.85 ! 0.0000 456:10 Long 2.32, 2.89 A assign (resid 61 and name HA) (resid 62 and name HN) 2.65 0.85 0.85 ! 0.9988 457:10 Seq 1.96, 2.10 A assign (resid 43 and name HA) (resid 42 and name HN) 3.65 1.85 1.85 ! 0.0000 458:10 Seq 4.45, 4.70 A assign (resid 46 and name HA) (resid 50 and name HN) 2.65 0.85 0.85 ! 0.9984 459:10 Mid 2.46, 2.84 A assign (resid 61 and name HA) (resid 61 and name HN) 3.15 1.35 1.35 ! 0.9874 460:10 Intra 2.84, 2.89 A assign (resid 77 and name HA) (resid 78 and name HN) 2.65 0.85 0.85 ! 0.9115 461:10 Ambig 3.50, 3.53 A or (resid 79 and name HA) (resid 78 and name HN) ! 0.0885 461:10 ----- 5.16, 5.32 A assign (resid 29 and name HB) (resid 30 and name HN) 2.65 0.85 0.85 ! 0.8890 462:10 Ambig 2.94, 3.35 A or (resid 68 and name HA) (resid 30 and name HN) ! 0.0653 462:10 ----- 4.54, 4.96 A assign (resid 46 and name HA) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.0000 463:10 Seq 3.45, 3.50 A assign (resid 68 and name HA) (resid 72 and name HN) 3.65 1.85 1.85 ! 0.9366 464:10 Ambig 4.12, 4.32 A or (resid 31 and name HA2) (resid 72 and name HN) ! 0.0634 464:10 ----- 6.46, 6.76 A assign (resid 46 and name HA) (resid 46 and name HN) 2.65 0.85 0.85 ! 0.5876 465:10 Ambig 2.78, 2.80 A or (resid 43 and name HA) (resid 46 and name HN) ! 0.4124 465:10 ----- 2.95, 3.52 A assign (resid 77 and name HA) (resid 77 and name HN) 2.65 0.85 0.85 ! 0.9951 466:10 Intra 2.79, 2.83 A assign (resid 33 and name HA) (resid 36 and name HN) 3.15 1.35 1.35 ! 0.8658 467:10 Ambig 3.13, 3.35 A or (resid 34 and name HA) (resid 36 and name HN) ! 0.1342 467:10 ----- 4.27, 4.49 A assign (resid 68 and name HA) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.0000 468:10 Mid 3.08, 3.32 A assign (resid 29 and name HB) (resid 29 and name HN) 3.15 1.35 1.35 ! 0.9828 469:10 Intra 3.21, 3.44 A assign (resid 6 and name HB2) (resid 6 and name HN) 3.15 1.35 1.35 ! 0.0000 470:10 Intra 2.37, 2.52 A assign (resid 79 and name HA) (resid 80 and name HN) 3.15 1.35 1.35 ! 0.5173 471:10 Ambig 3.28, 3.37 A or (resid 77 and name HA) (resid 80 and name HN) ! 0.4827 471:10 ----- 3.31, 3.50 A assign (resid 19 and name HA) (resid 20 and name HN) 3.65 1.85 1.85 ! 0.0000 472:10 Seq 3.19, 3.53 A assign (resid 19 and name HA) (resid 21 and name HN) 3.65 1.85 1.85 ! 0.0000 473:10 Mid 3.59, 4.95 A assign (resid 106 and name HA) (resid 106 and name HN) 2.65 0.85 0.85 ! 0.9588 474:10 Intra 2.84, 2.87 A assign (resid 6 and name HB2) (resid 85 and name HN) 3.65 1.85 1.85 ! 0.9307 475:10 Ambig 4.70, 5.07 A or (resid 107 and name HA) (resid 85 and name HN) ! 0.0693 475:10 ----- 7.24, 7.92 A assign (resid 34 and name HA) (resid 35 and name HN) 2.65 0.85 0.85 ! 0.7333 476:10 Ambig 3.48, 3.51 A or (resid 33 and name HA) (resid 35 and name HN) ! 0.2667 476:10 ----- 4.12, 4.35 A assign (resid 50 and name HA) (resid 51 and name HN) 2.65 0.85 0.85 ! 0.0000 477:10 Seq 2.09, 2.15 A assign (resid 107 and name HA) (resid 107 and name HN) 2.65 0.85 0.85 ! 0.9732 478:10 Intra 2.80, 2.82 A assign (resid 34 and name HA) (resid 37 and name HN) 3.15 1.35 1.35 ! 0.7170 479:10 Ambig 3.30, 3.63 A or (resid 33 and name HA) (resid 37 and name HN) ! 0.2830 479:10 ----- 3.86, 4.08 A assign (resid 107 and name HA) (resid 105 and name HN) 4.15 2.35 2.35 ! 0.6203 480:10 Ambig 6.50, 6.79 A or (resid 108 and name HA) (resid 105 and name HN) ! 0.3797 480:10 ----- 7.05, 7.21 A assign (resid 44 and name HA) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.9907 481:10 Mid 3.35, 3.63 A assign (resid 42 and name HA) (resid 43 and name HN) 2.65 0.85 0.85 ! 0.0000 482:10 Seq 3.24, 3.41 A assign (resid 99 and name HA) (resid 100 and name HN) 2.30 0.50 0.50 ! 0.0000 483:10 Seq 2.16, 2.23 A assign (resid 42 and name HA) (resid 42 and name HN) 2.65 0.85 0.85 ! 0.9961 484:10 Intra 2.86, 2.91 A assign (resid 62 and name HA) (resid 62 and name HN) 3.15 1.35 1.35 ! 0.8504 485:10 Ambig 2.79, 2.89 A or (resid 67 and name HA) (resid 62 and name HN) ! 0.1496 485:10 ----- 3.73, 5.64 A assign (resid 99 and name HA) (resid 99 and name HN) 2.65 0.85 0.85 ! 0.9753 486:10 Intra 2.91, 2.93 A assign (resid 33 and name HB*) (resid 30 and name HN) 4.15 2.35 2.35 ! 0.0000 487:10 Mid 5.02, 5.90 A assign (resid 11 and name HA2) (resid 13 and name HN) 3.65 1.85 1.85 ! 0.9790 488:10 Mid 3.57, 3.82 A assign (resid 93 and name HA) (resid 93 and name HN) 2.65 0.85 0.85 ! 0.9964 489:10 Intra 2.77, 2.82 A assign (resid 67 and name HA) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.0000 490:10 Mid 3.67, 3.94 A assign (resid 11 and name HA1) (resid 12 and name HN) 3.15 1.35 1.35 ! 0.9963 491:10 Seq 2.76, 2.84 A assign (resid 96 and name HA) (resid 97 and name HN) 2.65 0.85 0.85 ! 0.7834 492:10 Ambig 3.40, 3.48 A or (resid 93 and name HA) (resid 97 and name HN) ! 0.1960 492:10 ----- 4.28, 4.59 A assign (resid 8 and name HA) (resid 87 and name HN) 4.15 2.35 2.35 ! 0.0000 493:10 Long 4.49, 5.16 A assign (resid 8 and name HA) (resid 10 and name HN) 3.65 1.85 1.85 ! 0.9286 494:10 Ambig 3.48, 3.63 A or (resid 11 and name HA1) (resid 10 and name HN) ! 0.0714 494:10 ----- 5.33, 5.48 A assign (resid 93 and name HA) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.9803 495:10 Seq 3.49, 3.53 A assign (resid 37 and name HA) (resid 37 and name HN) 2.65 0.85 0.85 ! 0.9550 496:10 Intra 2.79, 2.84 A assign (resid 96 and name HA) (resid 96 and name HN) 2.30 0.50 0.50 ! 0.6633 497:10 Ambig 2.79, 2.82 A or (resid 93 and name HA) (resid 96 and name HN) ! 0.3300 497:10 ----- 3.14, 3.50 A assign (resid 45 and name HA) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.0000 498:10 Seq 3.51, 3.54 A assign (resid 93 and name HA) (resid 95 and name HN) 3.15 1.35 1.35 ! 0.5279 499:10 Ambig 4.13, 4.35 A or (resid 96 and name HA) (resid 95 and name HN) ! 0.1498 499:10 ----- 5.09, 5.19 A or (resid 33 and name HB*) (resid 36 and name HN) ! 0.1350 499:10 ----- 5.18, 5.50 A or (resid 37 and name HA) (resid 36 and name HN) ! 0.1169 499:10 ----- 5.31, 5.39 A or (resid 99 and name HA) (resid 95 and name HN) ! 0.0286 499:10 ----- 6.71, 6.87 A assign (resid 93 and name HA) (resid 92 and name HN) 3.65 1.85 1.85 ! 0.0000 500:10 Seq 5.19, 5.39 A assign (resid 6 and name HB1) (resid 85 and name HN) 4.15 2.35 2.35 ! 0.9065 501:10 Ambig 4.51, 5.79 A or (resid 8 and name HB1) (resid 85 and name HN) ! 0.0935 501:10 ----- 6.58, 7.68 A assign (resid 40 and name HA) (resid 41 and name HN) 3.15 1.35 1.35 ! 0.0000 502:10 Seq 2.19, 2.29 A assign (resid 6 and name HB1) (resid 6 and name HN) 3.15 1.35 1.35 ! 0.9965 505:10 Intra 2.18, 3.13 A assign (resid 45 and name HA) (resid 45 and name HN) 2.65 0.85 0.85 ! 0.0000 506:10 Intra 2.80, 2.84 A assign (resid 105 and name HA) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.6831 507:10 Ambig 3.67, 4.02 A or (resid 110 and name HB*) (resid 109 and name HN) ! 0.1980 507:10 ----- 4.52, 5.43 A or (resid 111 and name HB*) (resid 109 and name HN) ! 0.1037 507:10 ----- 5.03, 6.05 A assign (resid 105 and name HA) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.6899 508:10 Ambig 4.02, 4.20 A or (resid 110 and name HB*) (resid 107 and name HN) ! 0.3101 508:10 ----- 4.59, 6.09 A assign (resid 78 and name HA) (resid 78 and name HN) 2.65 0.85 0.85 ! 0.9364 509:10 Ambig 2.75, 2.81 A or (resid 76 and name HA) (resid 78 and name HN) ! 0.0636 509:10 ----- 4.30, 4.48 A assign (resid 45 and name HA) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.0000 510:10 Mid 4.27, 4.44 A assign (resid 72 and name HA) (resid 72 and name HN) 3.15 1.35 1.35 ! 0.9753 511:10 Intra 2.80, 2.82 A assign (resid 78 and name HA) (resid 80 and name HN) 3.15 1.35 1.35 ! 0.5962 512:10 Ambig 3.52, 4.03 A or (resid 76 and name HA) (resid 80 and name HN) ! 0.3723 512:10 ----- 3.81, 4.10 A assign (resid 45 and name HA) (resid 48 and name HN) 3.15 1.35 1.35 ! 0.0000 513:10 Mid 3.36, 3.51 A assign (resid 111 and name HB*) (resid 112 and name HN) 3.65 1.85 1.85 ! 0.9889 514:10 Seq 2.02, 3.73 A assign (resid 105 and name HA) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.0000 515:10 Seq 5.19, 5.34 A assign (resid 76 and name HA) (resid 81 and name HN) 3.15 1.35 1.35 ! 0.9939 516:10 Long 2.93, 3.11 A assign (resid 76 and name HA) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.6873 517:10 Ambig 3.43, 3.46 A or (resid 75 and name HA) (resid 77 and name HN) ! 0.2969 517:10 ----- 3.94, 4.10 A assign (resid 111 and name HB*) (resid 111 and name HN) 3.65 1.85 1.85 ! 0.7728 518:10 Ambig 2.37, 2.93 A or (resid 110 and name HB*) (resid 111 and name HN) ! 0.2261 518:10 ----- 2.91, 4.09 A assign (resid 105 and name HA) (resid 105 and name HN) 2.65 0.85 0.85 ! 0.0000 519:10 Intra 2.79, 2.82 A assign (resid 105 and name HA) (resid 106 and name HN) 3.15 1.35 1.35 ! 0.0000 520:10 Seq 3.36, 3.45 A assign (resid 8 and name HB1) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.9932 521:10 Long 2.05, 3.36 A assign (resid 31 and name HA1) (resid 32 and name HN) 3.15 1.35 1.35 ! 0.9946 522:10 Seq 2.59, 2.66 A assign (resid 15 and name HA) (resid 15 and name HN) 2.65 0.85 0.85 ! 0.9944 523:10 Intra 2.79, 2.84 A assign (resid 94 and name HA) (resid 94 and name HN) 2.65 0.85 0.85 ! 0.9951 524:10 Intra 2.79, 2.82 A assign (resid 94 and name HA) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.4514 525:10 Ambig 4.11, 4.27 A or (resid 88 and name HA) (resid 90 and name HN) ! 0.4013 525:10 ----- 4.19, 4.50 A or (resid 8 and name HB1) (resid 90 and name HN) ! 0.0868 525:10 ----- 5.41, 6.36 A or (resid 66 and name HD2) (resid 90 and name HN) ! 0.0605 525:10 ----- 5.75, 6.70 A assign (resid 76 and name HA) (resid 82 and name HN) 3.65 1.85 1.85 ! 0.0000 526:10 Long 5.16, 5.34 A assign (resid 94 and name HA) (resid 93 and name HN) 3.65 1.85 1.85 ! 0.0000 527:10 Seq 5.24, 5.29 A assign (resid 78 and name HA) (resid 79 and name HN) 2.65 0.85 0.85 ! 0.4377 528:10 Ambig 3.30, 3.50 A or (resid 76 and name HA) (resid 79 and name HN) ! 0.3442 528:10 ----- 3.43, 3.57 A or (resid 75 and name HA) (resid 79 and name HN) ! 0.2181 528:10 ----- 3.70, 3.97 A assign (resid 103 and name HD2) (resid 102 and name HN) 3.65 1.85 1.85 ! 0.0000 529:10 Seq 4.80, 5.08 A assign (resid 88 and name HA) (resid 88 and name HN) 2.65 0.85 0.85 ! 0.0000 531:10 Intra 2.67, 2.79 A assign (resid 103 and name HD2) (resid 85 and name HN) 4.15 2.35 2.35 ! 0.7563 532:10 Ambig 5.88, 6.07 A or (resid 88 and name HA) (resid 85 and name HN) ! 0.2437 532:10 ----- 7.10, 7.73 A assign (resid 66 and name HD2) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.5904 533:10 Ambig 3.53, 3.90 A or (resid 7 and name HD*) (resid 69 and name HN) ! 0.2460 533:10 ----- 4.09, 4.92 A or (resid 70 and name HB*) (resid 69 and name HN) ! 0.1636 533:10 ----- 4.37, 5.12 A assign (resid 49 and name HA1) (resid 50 and name HN) 2.65 0.85 0.85 ! 0.9886 534:10 Seq 3.29, 3.41 A assign (resid 39 and name HA2) (resid 40 and name HN) 2.65 0.85 0.85 ! 0.0000 535:10 Seq 2.72, 2.79 A assign (resid 36 and name HA) (resid 37 and name HN) 2.65 0.85 0.85 ! 0.7269 536:10 Ambig 3.54, 3.56 A or (resid 35 and name HA) (resid 37 and name HN) ! 0.2328 536:10 ----- 4.28, 4.61 A assign (resid 66 and name HD2) (resid 65 and name HN) 3.65 1.85 1.85 ! 0.5918 537:10 Ambig 4.79, 5.19 A or (resid 70 and name HB*) (resid 65 and name HN) ! 0.4082 537:10 ----- 5.10, 6.83 A assign (resid 88 and name HA) (resid 89 and name HN) 3.15 1.35 1.35 ! 0.0000 538:10 Seq 3.47, 3.54 A assign (resid 7 and name HD*) (resid 72 and name HN) 3.65 1.85 1.85 ! 0.5959 539:10 Ambig 3.85, 4.51 A or (resid 70 and name HA) (resid 72 and name HN) ! 0.3615 539:10 ----- 4.18, 4.37 A assign (resid 94 and name HA) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.0000 540:10 Mid 3.22, 3.37 A assign (resid 8 and name HB1) (resid 10 and name HN) 3.65 1.85 1.85 ! 0.4976 541:10 Ambig 5.17, 5.48 A or (resid 6 and name HB1) (resid 10 and name HN) ! 0.3258 541:10 ----- 5.55, 6.30 A or (resid 11 and name HA2) (resid 10 and name HN) ! 0.1766 541:10 ----- 6.15, 6.28 A assign (resid 70 and name HB*) (resid 71 and name HN) 2.65 0.85 0.85 ! 0.9861 542:10 Seq 2.41, 3.37 A assign (resid 88 and name HA) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.9922 543:10 Mid 3.25, 3.61 A assign (resid 88 and name HA) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.9768 544:10 Mid 3.69, 4.03 A assign (resid 35 and name HA) (resid 42 and name HN) 4.15 2.35 2.35 ! 0.6472 545:10 Ambig 5.35, 6.11 A or (resid 39 and name HA2) (resid 42 and name HN) ! 0.3528 545:10 ----- 5.92, 6.46 A assign (resid 35 and name HA) (resid 35 and name HN) 2.65 0.85 0.85 ! 0.9977 546:10 Intra 2.77, 2.82 A assign (resid 44 and name HB*) (resid 45 and name HN) 2.65 0.85 0.85 ! 0.9959 547:10 Seq 2.30, 3.37 A assign (resid 44 and name HB*) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.8197 548:10 Ambig 5.40, 5.61 A or (resid 49 and name HA1) (resid 47 and name HN) ! 0.1803 548:10 ----- 6.95, 7.03 A assign (resid 17 and name HA) (resid 17 and name HN) 2.65 0.85 0.85 ! 0.7052 549:10 Ambig 2.79, 2.82 A or (resid 14 and name HA) (resid 17 and name HN) ! 0.1768 549:10 ----- 3.51, 3.91 A or (resid 13 and name HA) (resid 17 and name HN) ! 0.1180 549:10 ----- 3.76, 4.05 A assign (resid 44 and name HB*) (resid 48 and name HN) 3.65 1.85 1.85 ! 0.5643 550:10 Ambig 4.77, 5.65 A or (resid 49 and name HA1) (resid 48 and name HN) ! 0.4357 550:10 ----- 4.98, 5.13 A assign (resid 98 and name HA1) (resid 99 and name HN) 2.65 0.85 0.85 ! 0.0000 551:10 Seq 3.29, 3.39 A assign (resid 14 and name HA) (resid 15 and name HN) 3.15 1.35 1.35 ! 0.7119 552:10 Ambig 3.32, 3.48 A or (resid 13 and name HA) (resid 15 and name HN) ! 0.2800 552:10 ----- 3.88, 4.18 A assign (resid 13 and name HA) (resid 13 and name HN) 2.65 0.85 0.85 ! 0.9791 553:10 Intra 2.71, 2.78 A assign (resid 13 and name HA) (resid 16 and name HN) 3.15 1.35 1.35 ! 0.8409 554:10 Ambig 3.26, 3.69 A or (resid 14 and name HA) (resid 16 and name HN) ! 0.1087 554:10 ----- 4.59, 4.79 A or (resid 17 and name HA) (resid 16 and name HN) ! 0.0504 554:10 ----- 5.21, 5.29 A assign (resid 13 and name HA) (resid 12 and name HN) 3.65 1.85 1.85 ! 0.9588 556:10 Seq 4.15, 4.41 A assign (resid 14 and name HA) (resid 14 and name HN) 2.65 0.85 0.85 ! 0.7444 557:10 Ambig 2.77, 2.82 A or (resid 13 and name HA) (resid 14 and name HN) ! 0.2430 557:10 ----- 3.34, 3.47 A assign (resid 29 and name HA) (resid 32 and name HN) 3.15 1.35 1.35 ! 0.0000 558:10 Mid 3.20, 3.43 A assign (resid 29 and name HA) (resid 30 and name HN) 3.65 1.85 1.85 ! 0.0000 559:10 Seq 3.47, 3.54 A assign (resid 103 and name HD1) (resid 102 and name HN) 3.65 1.85 1.85 ! 0.0000 560:10 Seq 4.52, 4.68 A assign (resid 38 and name HB2) (resid 40 and name HN) 3.65 1.85 1.85 ! 0.7742 561:10 Ambig 3.18, 3.49 A or (resid 32 and name HA) (resid 34 and name HN) ! 0.2119 561:10 ----- 3.94, 4.25 A assign (resid 38 and name HB2) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.7987 562:10 Ambig 4.74, 4.93 A or (resid 38 and name HB1) (resid 37 and name HN) ! 0.2013 562:10 ----- 5.96, 6.19 A assign (resid 32 and name HA) (resid 35 and name HN) 2.65 0.85 0.85 ! 0.7917 563:10 Ambig 3.08, 3.32 A or (resid 10 and name HB2) (resid 9 and name HN) ! 0.1528 563:10 ----- 4.05, 4.57 A or (resid 38 and name HB2) (resid 35 and name HN) ! 0.0452 563:10 ----- 4.96, 5.20 A assign (resid 32 and name HA) (resid 32 and name HN) 3.15 1.35 1.35 ! 0.0000 564:10 Intra 2.78, 2.81 A assign (resid 71 and name HA) (resid 55 and name HN) 4.15 2.35 2.35 ! 0.0000 565:10 Long 4.26, 5.56 A assign (resid 71 and name HA) (resid 72 and name HN) 3.15 1.35 1.35 ! 0.0000 566:10 Seq 3.48, 3.53 A assign (resid 32 and name HA) (resid 36 and name HN) 3.65 1.85 1.85 ! 0.0000 567:10 Mid 3.81, 4.06 A assign (resid 71 and name HA) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.0000 568:10 Intra 2.77, 2.81 A assign (resid 104 and name HA) (resid 85 and name HN) 3.65 1.85 1.85 ! 0.0000 569:10 Long 4.82, 5.11 A assign (resid 56 and name HB2) (resid 56 and name HN) 3.65 1.85 1.85 ! 0.0000 570:10 Intra 2.37, 2.77 A assign (resid 104 and name HA) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.0000 571:10 Mid 3.05, 3.26 A assign (resid 77 and name HB2) (resid 78 and name HN) 3.15 1.35 1.35 ! 0.0000 572:10 Seq 3.76, 3.82 A assign (resid 104 and name HA) (resid 104 and name HN) 3.15 1.35 1.35 ! 0.0000 573:10 Intra 2.76, 2.79 A assign (resid 77 and name HB2) (resid 81 and name HN) 4.15 2.35 2.35 ! 0.0000 574:10 Mid 6.03, 6.23 A assign (resid 77 and name HB2) (resid 77 and name HN) 2.65 0.85 0.85 ! 0.0000 575:10 Intra 2.49, 2.55 A assign (resid 104 and name HA) (resid 105 and name HN) 3.15 1.35 1.35 ! 0.0000 576:10 Seq 3.47, 3.52 A assign (resid 104 and name HA) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 577:10 Mid 3.92, 4.10 A assign (resid 10 and name HB2) (resid 10 and name HN) 2.65 0.85 0.85 ! 0.0000 578:10 Intra 2.24, 2.39 A assign (resid 77 and name HB2) (resid 76 and name HN) 3.65 1.85 1.85 ! 0.0000 579:10 Seq 4.80, 4.91 A assign (resid 10 and name HB1) (resid 13 and name HN) 3.65 1.85 1.85 ! 0.9485 580:10 Ambig 4.68, 5.12 A or (resid 16 and name HA) (resid 13 and name HN) ! 0.0515 580:10 ----- 7.60, 7.75 A assign (resid 73 and name HA) (resid 72 and name HN) 3.65 1.85 1.85 ! 0.0000 581:10 Seq 5.21, 5.31 A assign (resid 16 and name HA) (resid 15 and name HN) 3.65 1.85 1.85 ! 0.0000 582:10 Seq 5.07, 5.20 A assign (resid 90 and name HA) (resid 90 and name HN) 3.15 1.35 1.35 ! 0.0000 583:10 Intra 2.80, 2.82 A assign (resid 90 and name HA) (resid 89 and name HN) 3.65 1.85 1.85 ! 0.0000 584:10 Seq 4.93, 4.99 A assign (resid 90 and name HA) (resid 91 and name HN) 3.65 1.85 1.85 ! 0.0000 585:10 Seq 3.48, 3.53 A assign (resid 16 and name HA) (resid 17 and name HN) 3.65 1.85 1.85 ! 0.0000 586:10 Seq 3.45, 3.49 A assign (resid 53 and name HD1) (resid 54 and name HN) 3.65 1.85 1.85 ! 0.9946 587:10 Seq 2.60, 4.20 A assign (resid 91 and name HA) (resid 93 and name HN) 3.65 1.85 1.85 ! 0.0000 588:10 Mid 4.50, 4.71 A assign (resid 91 and name HA) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.0000 589:10 Intra 2.77, 2.79 A assign (resid 91 and name HA) (resid 94 and name HN) 3.65 1.85 1.85 ! 0.0000 590:10 Mid 3.66, 3.88 A assign (resid 95 and name HE*) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.7599 591:10 Ambig 5.13, 6.05 A or (resid 66 and name HD1) (resid 90 and name HN) ! 0.2401 591:10 ----- 6.22, 7.15 A assign (resid 95 and name HE*) (resid 99 and name HN) 4.15 2.35 2.35 ! 0.7920 592:10 Ambig 5.87, 7.21 A or (resid 77 and name HB1) (resid 99 and name HN) ! 0.2080 592:10 ----- 7.34, 7.57 A assign (resid 80 and name HB2) (resid 81 and name HN) 3.15 1.35 1.35 ! 0.0000 593:10 Seq 4.25, 4.48 A assign (resid 80 and name HB2) (resid 80 and name HN) 2.65 0.85 0.85 ! 0.0000 594:10 Intra 3.04, 3.19 A assign (resid 95 and name HE*) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.0000 595:10 Long 2.34, 3.94 A assign (resid 119 and name HB1) (resid 119 and name HN) 3.65 1.85 1.85 ! 0.0000 596:10 Intra 2.40, 3.13 A assign (resid 53 and name HD2) (resid 54 and name HN) 3.65 1.85 1.85 ! 0.9968 597:10 Seq 2.09, 3.38 A assign (resid 66 and name HD1) (resid 65 and name HN) 3.65 1.85 1.85 ! 0.0000 598:10 Seq 4.42, 4.69 A assign (resid 95 and name HE*) (resid 95 and name HN) 3.15 1.35 1.35 ! 0.0000 599:10 Intra 3.88, 4.72 A assign (resid 77 and name HB1) (resid 78 and name HN) 2.65 0.85 0.85 ! 0.0000 600:10 Seq 2.38, 2.50 A assign (resid 77 and name HB1) (resid 77 and name HN) 2.65 0.85 0.85 ! 0.0000 601:10 Intra 2.39, 2.45 A assign (resid 34 and name HB2) (resid 35 and name HN) 3.15 1.35 1.35 ! 0.9142 603:10 Ambig 3.67, 3.86 A or (resid 37 and name HE*) (resid 35 and name HN) ! 0.0858 603:10 ----- 5.44, 7.36 A assign (resid 34 and name HB2) (resid 34 and name HN) 2.65 0.85 0.85 ! 0.9395 605:10 Ambig 2.45, 2.54 A or (resid 37 and name HE*) (resid 34 and name HN) ! 0.0605 605:10 ----- 3.87, 6.40 A assign (resid 37 and name HE*) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.9230 606:10 Ambig 3.71, 5.06 A or (resid 34 and name HB2) (resid 37 and name HN) ! 0.0770 606:10 ----- 5.62, 5.92 A assign (resid 100 and name HB2) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.0000 607:10 Long 5.29, 5.45 A assign (resid 25 and name HB*) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.0000 608:10 Long 3.88, 4.47 A assign (resid 100 and name HB2) (resid 99 and name HN) 4.15 2.35 2.35 ! 0.0000 609:10 Seq 5.97, 6.15 A assign (resid 25 and name HB*) (resid 50 and name HN) 3.65 1.85 1.85 ! 0.0000 610:10 Long 4.22, 5.17 A assign (resid 14 and name HE*) (resid 15 and name HN) 4.15 2.35 2.35 ! 0.6995 611:10 Ambig 4.45, 6.06 A or (resid 12 and name HE*) (resid 15 and name HN) ! 0.3005 611:10 ----- 5.12, 6.82 A assign (resid 14 and name HE*) (resid 14 and name HN) 3.65 1.85 1.85 ! 0.9855 613:10 Intra 3.17, 4.55 A assign (resid 100 and name HB2) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.0000 614:10 Seq 4.38, 4.45 A assign (resid 100 and name HB2) (resid 100 and name HN) 2.65 0.85 0.85 ! 0.0000 615:10 Intra 2.65, 2.72 A assign (resid 25 and name HB*) (resid 25 and name HN) 2.65 0.85 0.85 ! 0.0000 616:10 Intra 2.20, 2.98 A assign (resid 25 and name HB*) (resid 26 and name HN) 3.15 1.35 1.35 ! 0.0000 617:10 Seq 3.01, 3.63 A assign (resid 64 and name HB2) (resid 65 and name HN) 3.15 1.35 1.35 ! 0.9168 618:10 Ambig 3.44, 3.88 A or (resid 93 and name HE1) (resid 65 and name HN) ! 0.0501 618:10 ----- 5.58, 7.50 A assign (resid 20 and name HB1) (resid 20 and name HN) 3.65 1.85 1.85 ! 0.5943 619:10 Ambig 2.38, 2.64 A or (resid 20 and name HB2) (resid 20 and name HN) ! 0.4057 619:10 ----- 2.54, 2.76 A assign (resid 20 and name HB1) (resid 21 and name HN) 3.65 1.85 1.85 ! 0.9531 620:10 Seq 2.16, 2.82 A assign (resid 12 and name HE*) (resid 12 and name HN) 3.65 1.85 1.85 ! 0.0000 621:10 Intra 4.14, 5.63 A assign (resid 92 and name HB2) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.4374 622:10 Ambig 5.32, 5.79 A or (resid 92 and name HB1) (resid 95 and name HN) ! 0.4028 622:10 ----- 5.39, 5.55 A or (resid 93 and name HE1) (resid 95 and name HN) ! 0.1598 622:10 ----- 6.29, 7.35 A assign (resid 20 and name HB1) (resid 23 and name HN) 4.15 2.35 2.35 ! 0.5803 623:10 Ambig 4.56, 5.34 A or (resid 25 and name HB*) (resid 23 and name HN) ! 0.3299 623:10 ----- 5.01, 7.11 A or (resid 20 and name HB2) (resid 23 and name HN) ! 0.0899 623:10 ----- 6.22, 6.81 A assign (resid 41 and name HB1) (resid 41 and name HN) 3.15 1.35 1.35 ! 0.0000 624:10 Intra 2.45, 3.15 A assign (resid 2 and name HB*) (resid 4 and name HN) 3.65 1.85 1.85 ! 0.0000 625:10 Mid 4.64, 4.91 A assign (resid 68 and name HB*) (resid 69 and name HN) 3.65 1.85 1.85 ! 0.0000 626:10 Seq 3.77, 4.11 A assign (resid 2 and name HB*) (resid 3 and name HN) 2.65 0.85 0.85 ! 0.9913 627:10 Seq 2.48, 3.26 A assign (resid 89 and name HB2) (resid 90 and name HN) 3.15 1.35 1.35 ! 0.8514 628:10 Ambig 3.52, 3.89 A or (resid 93 and name HE1) (resid 96 and name HN) ! 0.0991 628:10 ----- 5.04, 6.57 A assign (resid 93 and name HE1) (resid 94 and name HN) 4.15 2.35 2.35 ! 0.0000 629:10 Seq 4.90, 5.81 A assign (resid 89 and name HB2) (resid 89 and name HN) 2.30 0.50 0.50 ! 0.9842 630:10 Intra 2.35, 2.63 A assign (resid 2 and name HB*) (resid 82 and name HN) 3.15 1.35 1.35 ! 0.0000 631:10 Long 3.93, 4.50 A assign (resid 92 and name HB1) (resid 93 and name HN) 2.65 0.85 0.85 ! 0.9291 632:10 Ambig 2.20, 2.60 A or (resid 92 and name HB2) (resid 93 and name HN) ! 0.0476 632:10 ----- 3.60, 3.86 A assign (resid 68 and name HB*) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.0000 633:10 Mid 5.14, 5.50 A assign (resid 92 and name HB1) (resid 91 and name HN) 3.65 1.85 1.85 ! 0.0000 634:10 Seq 4.65, 4.86 A assign (resid 92 and name HB1) (resid 92 and name HN) 2.30 0.50 0.50 ! 0.9916 635:10 Intra 2.33, 2.49 A assign (resid 41 and name HB1) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.0000 636:10 Seq 3.58, 4.15 A assign (resid 24 and name HE*) (resid 50 and name HN) 3.65 1.85 1.85 ! 0.5705 637:10 Ambig 5.30, 6.57 A or (resid 47 and name HB1) (resid 50 and name HN) ! 0.2929 637:10 ----- 5.92, 6.17 A or (resid 47 and name HB2) (resid 50 and name HN) ! 0.1366 637:10 ----- 6.72, 6.94 A assign (resid 34 and name HB1) (resid 35 and name HN) 3.15 1.35 1.35 ! 0.0000 639:10 Seq 2.37, 2.59 A assign (resid 34 and name HB1) (resid 34 and name HN) 2.65 0.85 0.85 ! 0.0000 640:10 Intra 2.38, 2.51 A assign (resid 47 and name HB1) (resid 47 and name HN) 2.30 0.50 0.50 ! 0.5070 641:10 Ambig 2.38, 2.48 A or (resid 47 and name HB2) (resid 47 and name HN) ! 0.4799 641:10 ----- 2.40, 2.55 A assign (resid 80 and name HB1) (resid 81 and name HN) 3.15 1.35 1.35 ! 0.0000 642:10 Seq 4.15, 4.31 A assign (resid 80 and name HB1) (resid 80 and name HN) 3.15 1.35 1.35 ! 0.0000 643:10 Intra 3.61, 3.75 A assign (resid 47 and name HB1) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.4429 644:10 Ambig 4.54, 4.73 A or (resid 47 and name HB2) (resid 46 and name HN) ! 0.3210 644:10 ----- 4.79, 5.05 A or (resid 43 and name HB2) (resid 46 and name HN) ! 0.2361 644:10 ----- 5.04, 5.69 A assign (resid 47 and name HB1) (resid 48 and name HN) 2.65 0.85 0.85 ! 0.9380 645:10 Ambig 2.41, 2.68 A or (resid 47 and name HB2) (resid 48 and name HN) ! 0.0604 645:10 ----- 3.81, 3.96 A assign (resid 100 and name HB1) (resid 100 and name HN) 2.65 0.85 0.85 ! 0.0000 646:10 Intra 2.51, 2.59 A assign (resid 41 and name HB2) (resid 45 and name HN) 4.15 2.35 2.35 ! 0.0000 647:10 Mid 4.68, 5.42 A assign (resid 22 and name HB1) (resid 23 and name HN) 3.15 1.35 1.35 ! 0.0000 648:10 Seq 3.28, 3.54 A assign (resid 100 and name HB1) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.0000 649:10 Seq 4.35, 4.38 A assign (resid 87 and name HB2) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.0000 650:10 Seq 3.89, 4.09 A assign (resid 41 and name HB2) (resid 41 and name HN) 3.15 1.35 1.35 ! 0.9941 651:10 Intra 2.41, 2.90 A assign (resid 41 and name HB2) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.0000 652:10 Seq 3.13, 4.21 A assign (resid 43 and name HB1) (resid 43 and name HN) 2.30 0.50 0.50 ! 0.5280 654:10 Ambig 2.43, 2.95 A or (resid 43 and name HB2) (resid 43 and name HN) ! 0.4720 654:10 ----- 2.48, 2.67 A assign (resid 87 and name HB2) (resid 87 and name HN) 2.65 0.85 0.85 ! 0.0000 657:10 Intra 2.56, 2.78 A assign (resid 1 and name HG2) (resid 82 and name HN) 3.65 1.85 1.85 ! 0.0000 658:10 Long 2.68, 3.27 A assign (resid 96 and name HG1) (resid 97 and name HN) 3.65 1.85 1.85 ! 0.0000 659:10 Seq 4.17, 4.41 A assign (resid 22 and name HB2) (resid 23 and name HN) 3.15 1.35 1.35 ! 0.9919 660:10 Seq 3.28, 4.19 A assign (resid 87 and name HB1) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.7049 661:10 Ambig 3.88, 4.05 A or (resid 89 and name HB1) (resid 88 and name HN) ! 0.2951 661:10 ----- 4.49, 5.29 A assign (resid 96 and name HG1) (resid 96 and name HN) 2.30 0.50 0.50 ! 0.7555 664:10 Ambig 2.12, 2.42 A or (resid 89 and name HB1) (resid 90 and name HN) ! 0.2445 664:10 ----- 2.56, 2.81 A assign (resid 89 and name HB1) (resid 89 and name HN) 2.65 0.85 0.85 ! 0.0000 665:10 Intra 2.14, 2.63 A assign (resid 96 and name HG1) (resid 93 and name HN) 4.15 2.35 2.35 ! 0.6583 666:10 Ambig 4.33, 4.70 A or (resid 89 and name HB1) (resid 93 and name HN) ! 0.3109 666:10 ----- 4.90, 5.36 A assign (resid 96 and name HG1) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.6357 667:10 Ambig 4.13, 4.42 A or (resid 32 and name HB) (resid 36 and name HN) ! 0.3643 667:10 ----- 4.53, 4.83 A assign (resid 87 and name HB1) (resid 87 and name HN) 2.65 0.85 0.85 ! 0.9976 668:10 Intra 2.49, 2.58 A assign (resid 87 and name HB1) (resid 91 and name HN) 3.65 1.85 1.85 ! 0.0000 669:10 Mid 3.89, 4.12 A assign (resid 89 and name HB1) (resid 92 and name HN) 3.65 1.85 1.85 ! 0.5541 670:10 Ambig 5.21, 5.39 A or (resid 96 and name HG1) (resid 92 and name HN) ! 0.2515 670:10 ----- 5.94, 6.20 A or (resid 87 and name HB1) (resid 92 and name HN) ! 0.1943 670:10 ----- 6.20, 6.46 A assign (resid 32 and name HB) (resid 32 and name HN) 3.15 1.35 1.35 ! 0.0000 672:10 Intra 3.69, 3.71 A assign (resid 15 and name HG1) (resid 15 and name HN) 2.65 0.85 0.85 ! 0.0000 673:10 Intra 2.07, 2.33 A assign (resid 78 and name HB1) (resid 78 and name HN) 2.65 0.85 0.85 ! 0.0000 674:10 Intra 2.36, 2.67 A assign (resid 78 and name HB1) (resid 80 and name HN) 4.15 2.35 2.35 ! 0.0000 675:10 Mid 4.48, 4.79 A assign (resid 15 and name HG1) (resid 16 and name HN) 3.65 1.85 1.85 ! 0.0000 676:10 Seq 4.03, 4.25 A assign (resid 78 and name HB1) (resid 77 and name HN) 4.15 2.35 2.35 ! 0.0000 677:10 Seq 4.46, 4.97 A assign (resid 15 and name HG1) (resid 14 and name HN) 3.65 1.85 1.85 ! 0.0000 678:10 Seq 3.89, 4.20 A assign (resid 71 and name HG1) (resid 55 and name HN) 3.15 1.35 1.35 ! 0.0000 679:10 Long 2.53, 3.51 A assign (resid 1 and name HG1) (resid 82 and name HN) 3.65 1.85 1.85 ! 0.0000 680:10 Long 3.98, 4.43 A assign (resid 71 and name HG1) (resid 72 and name HN) 3.65 1.85 1.85 ! 0.0000 682:10 Seq 3.59, 4.55 A assign (resid 67 and name HG2) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.5417 684:10 Ambig 3.84, 5.61 A or (resid 71 and name HG1) (resid 71 and name HN) ! 0.3131 684:10 ----- 4.21, 4.47 A or (resid 74 and name HG2) (resid 71 and name HN) ! 0.1452 684:10 ----- 4.78, 5.23 A assign (resid 86 and name HG2) (resid 9 and name HN) 3.65 1.85 1.85 ! 0.0000 685:10 Long 4.45, 4.91 A assign (resid 78 and name HB2) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.0000 686:10 Mid 4.38, 5.28 A assign (resid 78 and name HB2) (resid 77 and name HN) 3.65 1.85 1.85 ! 0.8094 687:10 Ambig 4.40, 4.99 A or (resid 74 and name HG2) (resid 77 and name HN) ! 0.1906 687:10 ----- 5.60, 5.85 A assign (resid 105 and name HG1) (resid 105 and name HN) 2.30 0.50 0.50 ! 0.6791 688:10 Ambig 2.06, 3.16 A or (resid 103 and name HB2) (resid 105 and name HN) ! 0.1456 688:10 ----- 2.66, 2.91 A or (resid 105 and name HG2) (resid 105 and name HN) ! 0.1360 688:10 ----- 2.70, 3.76 A assign (resid 86 and name HG2) (resid 85 and name HN) 4.15 2.35 2.35 ! 0.7360 689:10 Ambig 4.78, 4.97 A or (resid 103 and name HB2) (resid 85 and name HN) ! 0.2640 689:10 ----- 5.68, 6.07 A assign (resid 78 and name HB2) (resid 78 and name HN) 3.15 1.35 1.35 ! 0.0000 690:10 Intra 2.13, 2.60 A assign (resid 48 and name HB2) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.0000 691:10 Seq 4.85, 5.00 A assign (resid 106 and name HG2) (resid 106 and name HN) 2.30 0.50 0.50 ! 0.4267 693:10 Ambig 2.25, 3.63 A or (resid 103 and name HB2) (resid 106 and name HN) ! 0.2915 693:10 ----- 2.40, 2.84 A or (resid 106 and name HG1) (resid 106 and name HN) ! 0.2667 693:10 ----- 2.43, 3.69 A assign (resid 48 and name HB2) (resid 48 and name HN) 2.65 0.85 0.85 ! 0.0000 694:10 Intra 2.29, 2.42 A assign (resid 96 and name HB2) (resid 99 and name HN) 4.15 2.35 2.35 ! 0.0000 695:10 Mid 5.98, 6.19 A assign (resid 48 and name HB2) (resid 50 and name HN) 3.65 1.85 1.85 ! 0.0000 696:10 Mid 3.76, 4.10 A assign (resid 106 and name HG2) (resid 109 and name HN) 4.15 2.35 2.35 ! 0.8089 697:10 Ambig 5.29, 6.00 A or (resid 103 and name HB2) (resid 109 and name HN) ! 0.1911 697:10 ----- 6.73, 7.32 A assign (resid 96 and name HB2) (resid 96 and name HN) 2.30 0.50 0.50 ! 0.0000 698:10 Intra 2.27, 2.43 A assign (resid 12 and name HB1) (resid 13 and name HN) 3.15 1.35 1.35 ! 0.0000 699:10 Seq 4.07, 4.31 A assign (resid 96 and name HB2) (resid 93 and name HN) 4.15 2.35 2.35 ! 0.0000 700:10 Mid 5.05, 5.39 A assign (resid 12 and name HB1) (resid 12 and name HN) 3.15 1.35 1.35 ! 0.0000 701:10 Intra 3.52, 3.66 A assign (resid 96 and name HB2) (resid 97 and name HN) 2.65 0.85 0.85 ! 0.0000 702:10 Seq 2.47, 2.74 A assign (resid 113 and name HG*) (resid 113 and name HN) 3.65 1.85 1.85 ! 0.0000 704:10 Intra 1.79, 3.57 A assign (resid 71 and name HG2) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.0000 706:10 Long 3.50, 4.16 A assign (resid 60 and name HB2) (resid 61 and name HN) 3.15 1.35 1.35 ! 0.9903 707:10 Seq 2.62, 3.51 A assign (resid 107 and name HB1) (resid 107 and name HN) 2.30 0.50 0.50 ! 0.6096 708:10 Ambig 2.40, 2.51 A or (resid 106 and name HB2) (resid 107 and name HN) ! 0.3706 708:10 ----- 2.61, 3.16 A assign (resid 15 and name HB2) (resid 15 and name HN) 2.30 0.50 0.50 ! 0.8303 709:10 Ambig 2.36, 2.45 A or (resid 15 and name HG2) (resid 15 and name HN) ! 0.1123 709:10 ----- 3.29, 3.50 A or (resid 12 and name HB1) (resid 15 and name HN) ! 0.0574 709:10 ----- 3.68, 4.20 A assign (resid 15 and name HB2) (resid 16 and name HN) 2.65 0.85 0.85 ! 0.9472 710:10 Ambig 2.18, 2.48 A or (resid 12 and name HB1) (resid 16 and name HN) ! 0.0417 710:10 ----- 3.67, 4.27 A assign (resid 86 and name HG1) (resid 10 and name HN) 4.15 2.35 2.35 ! 0.0000 712:10 Long 4.83, 5.27 A assign (resid 15 and name HB2) (resid 14 and name HN) 3.15 1.35 1.35 ! 0.5279 713:10 Ambig 4.52, 4.79 A or (resid 12 and name HB1) (resid 14 and name HN) ! 0.2697 713:10 ----- 5.06, 5.24 A or (resid 15 and name HG2) (resid 14 and name HN) ! 0.2024 713:10 ----- 5.31, 5.67 A assign (resid 90 and name HB) (resid 89 and name HN) 3.65 1.85 1.85 ! 0.0000 716:10 Seq 4.37, 4.51 A assign (resid 106 and name HB2) (resid 102 and name HN) 3.65 1.85 1.85 ! 0.4144 717:10 Ambig 5.45, 6.26 A or (resid 106 and name HB1) (resid 102 and name HN) ! 0.3641 717:10 ----- 5.57, 6.39 A or (resid 103 and name HG2) (resid 102 and name HN) ! 0.1387 717:10 ----- 6.54, 6.80 A or (resid 90 and name HB) (resid 102 and name HN) ! 0.0828 717:10 ----- 7.13, 7.96 A assign (resid 90 and name HB) (resid 91 and name HN) 3.15 1.35 1.35 ! 0.9989 718:10 Seq 2.27, 2.43 A assign (resid 1 and name HE*) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.0000 720:10 Long 4.72, 5.58 A assign (resid 106 and name HB2) (resid 106 and name HN) 2.30 0.50 0.50 ! 0.4654 721:10 Ambig 2.29, 2.46 A or (resid 106 and name HB1) (resid 106 and name HN) ! 0.3454 721:10 ----- 2.40, 3.21 A or (resid 105 and name HB1) (resid 106 and name HN) ! 0.1892 721:10 ----- 2.66, 3.74 A assign (resid 71 and name HB*) (resid 71 and name HN) 2.65 0.85 0.85 ! 0.9661 722:10 Intra 2.17, 2.56 A assign (resid 113 and name HB2) (resid 113 and name HN) 3.65 1.85 1.85 ! 0.0000 723:10 Intra 2.15, 2.71 A assign (resid 23 and name HB2) (resid 3 and name HN) 3.65 1.85 1.85 ! 0.7927 725:10 Ambig 4.37, 4.60 A or (resid 1 and name HB*) (resid 3 and name HN) ! 0.1286 725:10 ----- 5.92, 6.79 A or (resid 1 and name HE*) (resid 3 and name HN) ! 0.0787 725:10 ----- 6.43, 7.67 A assign (resid 105 and name HB1) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.5285 726:10 Ambig 4.49, 5.05 A or (resid 106 and name HB1) (resid 109 and name HN) ! 0.3114 726:10 ----- 4.90, 5.19 A or (resid 105 and name HB2) (resid 109 and name HN) ! 0.1601 726:10 ----- 5.48, 5.85 A assign (resid 30 and name HG) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.9671 727:10 Intra 2.24, 2.44 A assign (resid 1 and name HE*) (resid 82 and name HN) 3.15 1.35 1.35 ! 0.9732 728:10 Long 2.59, 3.77 A assign (resid 71 and name HB*) (resid 72 and name HN) 2.30 0.50 0.50 ! 0.9985 729:10 Seq 2.17, 3.22 A assign (resid 23 and name HB2) (resid 23 and name HN) 2.65 0.85 0.85 ! 0.9942 730:10 Intra 2.37, 2.55 A assign (resid 105 and name HB2) (resid 105 and name HN) 2.30 0.50 0.50 ! 0.6754 731:10 Ambig 2.26, 2.45 A or (resid 105 and name HB1) (resid 105 and name HN) ! 0.3141 731:10 ----- 2.56, 3.51 A assign (resid 86 and name HB1) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.9645 732:10 Seq 3.38, 3.89 A assign (resid 5 and name HG12) (resid 5 and name HN) 2.65 0.85 0.85 ! 0.5352 733:10 Ambig 2.40, 3.24 A or (resid 5 and name HB) (resid 5 and name HN) ! 0.4633 733:10 ----- 2.46, 2.51 A assign (resid 69 and name HG2) (resid 9 and name HN) 3.65 1.85 1.85 ! 0.2925 734:10 Ambig 5.45, 7.36 A or (resid 86 and name HB1) (resid 9 and name HN) ! 0.2088 734:10 ----- 5.77, 6.27 A or (resid 5 and name HG12) (resid 25 and name HN) ! 0.1702 734:10 ----- 5.97, 7.05 A or (resid 5 and name HB) (resid 9 and name HN) ! 0.1344 734:10 ----- 6.21, 6.36 A or (resid 69 and name HB1) (resid 9 and name HN) ! 0.1166 734:10 ----- 6.36, 7.26 A or (resid 5 and name HG12) (resid 9 and name HN) ! 0.0774 734:10 ----- 6.80, 7.30 A assign (resid 105 and name HB2) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.2839 735:10 Ambig 4.75, 5.00 A or (resid 86 and name HB1) (resid 104 and name HN) ! 0.2667 735:10 ----- 4.80, 5.10 A or (resid 103 and name HG1) (resid 104 and name HN) ! 0.2636 735:10 ----- 4.81, 4.97 A or (resid 105 and name HB1) (resid 104 and name HN) ! 0.1858 735:10 ----- 5.10, 6.24 A assign (resid 95 and name HB*) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.9946 736:10 Long 2.52, 4.16 A assign (resid 5 and name HB) (resid 6 and name HN) 3.15 1.35 1.35 ! 0.5985 737:10 Ambig 4.07, 4.20 A or (resid 5 and name HG12) (resid 6 and name HN) ! 0.3493 737:10 ----- 4.45, 4.78 A or (resid 69 and name HB1) (resid 6 and name HN) ! 0.0522 737:10 ----- 6.11, 7.27 A assign (resid 69 and name HG2) (resid 69 and name HN) 2.65 0.85 0.85 ! 0.7837 738:10 Ambig 2.26, 2.77 A or (resid 69 and name HB1) (resid 69 and name HN) ! 0.2007 738:10 ----- 2.84, 3.53 A assign (resid 75 and name HB) (resid 75 and name HN) 2.65 0.85 0.85 ! 0.9747 739:10 Intra 2.40, 2.48 A assign (resid 95 and name HB*) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.9881 740:10 Seq 2.19, 3.50 A assign (resid 46 and name HB2) (resid 47 and name HN) 2.65 0.85 0.85 ! 0.0000 741:10 Seq 2.42, 2.48 A assign (resid 4 and name HB) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.5304 742:10 Ambig 5.66, 5.92 A or (resid 99 and name HB) (resid 81 and name HN) ! 0.4696 742:10 ----- 5.77, 6.30 A assign (resid 46 and name HB2) (resid 46 and name HN) 2.65 0.85 0.85 ! 0.0000 743:10 Intra 2.45, 2.50 A assign (resid 95 and name HB*) (resid 95 and name HN) 2.30 0.50 0.50 ! 0.5980 744:10 Ambig 2.31, 2.69 A or (resid 36 and name HB) (resid 36 and name HN) ! 0.3998 744:10 ----- 2.48, 2.55 A assign (resid 4 and name HB) (resid 4 and name HN) 2.65 0.85 0.85 ! 0.9894 745:10 Intra 2.52, 2.57 A assign (resid 51 and name HB) (resid 51 and name HN) 3.15 1.35 1.35 ! 0.9221 746:10 Ambig 3.67, 3.72 A or (resid 52 and name HB) (resid 51 and name HN) ! 0.0478 746:10 ----- 6.02, 6.41 A assign (resid 30 and name HB2) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.0000 747:10 Intra 2.41, 2.48 A assign (resid 62 and name HB) (resid 65 and name HN) 2.65 0.85 0.85 ! 0.9829 748:10 Mid 1.79, 2.82 A assign (resid 14 and name HB2) (resid 14 and name HN) 2.30 0.50 0.50 ! 0.9963 749:10 Intra 2.33, 2.49 A assign (resid 102 and name HB) (resid 102 and name HN) 3.15 1.35 1.35 ! 0.9240 750:10 Ambig 3.77, 3.83 A or (resid 103 and name HG1) (resid 102 and name HN) ! 0.0585 750:10 ----- 5.98, 6.38 A assign (resid 62 and name HB) (resid 62 and name HN) 3.15 1.35 1.35 ! 0.9823 751:10 Intra 2.53, 3.49 A assign (resid 88 and name HB*) (resid 88 and name HN) 2.30 0.50 0.50 ! 0.0000 752:10 Intra 2.28, 2.81 A assign (resid 52 and name HB) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.7851 753:10 Ambig 4.02, 4.13 A or (resid 26 and name HB) (resid 53 and name HN) ! 0.1082 753:10 ----- 5.59, 5.76 A or (resid 27 and name HB) (resid 53 and name HN) ! 0.1067 753:10 ----- 5.60, 5.89 A assign (resid 99 and name HB) (resid 100 and name HN) 3.15 1.35 1.35 ! 0.0000 754:10 Seq 3.82, 4.00 A assign (resid 113 and name HB1) (resid 113 and name HN) 3.15 1.35 1.35 ! 0.0000 755:10 Intra 2.29, 3.10 A assign (resid 36 and name HG12) (resid 35 and name HN) 3.65 1.85 1.85 ! 0.6858 756:10 Ambig 4.11, 4.38 A or (resid 36 and name HB) (resid 35 and name HN) ! 0.2957 756:10 ----- 4.73, 4.83 A assign (resid 99 and name HB) (resid 99 and name HN) 2.30 0.50 0.50 ! 0.9953 757:10 Intra 2.45, 2.52 A assign (resid 48 and name HB1) (resid 50 and name HN) 3.65 1.85 1.85 ! 0.5326 758:10 Ambig 4.68, 5.07 A or (resid 46 and name HG) (resid 50 and name HN) ! 0.2186 758:10 ----- 5.42, 5.61 A or (resid 48 and name HG1) (resid 50 and name HN) ! 0.1726 758:10 ----- 5.64, 5.90 A or (resid 27 and name HB) (resid 50 and name HN) ! 0.0762 758:10 ----- 6.46, 6.99 A assign (resid 93 and name HB2) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.9866 759:10 Seq 2.40, 3.31 A assign (resid 36 and name HB) (resid 37 and name HN) 2.30 0.50 0.50 ! 0.6193 760:10 Ambig 2.34, 2.49 A or (resid 37 and name HB*) (resid 37 and name HN) ! 0.3605 760:10 ----- 2.56, 3.15 A assign (resid 88 and name HB*) (resid 89 and name HN) 2.65 0.85 0.85 ! 0.9959 762:10 Seq 2.36, 3.47 A assign (resid 93 and name HB2) (resid 93 and name HN) 2.65 0.85 0.85 ! 0.9973 763:10 Intra 2.05, 2.36 A assign (resid 16 and name HG12) (resid 16 and name HN) 2.65 0.85 0.85 ! 0.9574 764:10 Intra 1.94, 2.02 A assign (resid 48 and name HG1) (resid 48 and name HN) 2.30 0.50 0.50 ! 0.9336 765:10 Ambig 2.31, 2.59 A or (resid 48 and name HB1) (resid 48 and name HN) ! 0.0664 765:10 ----- 3.59, 3.64 A assign (resid 26 and name HB) (resid 5 and name HN) 3.15 1.35 1.35 ! 0.5461 766:10 Ambig 3.72, 3.95 A or (resid 27 and name HB) (resid 5 and name HN) ! 0.3150 766:10 ----- 4.07, 4.31 A or (resid 84 and name HB) (resid 5 and name HN) ! 0.1389 766:10 ----- 4.67, 4.99 A assign (resid 46 and name HG) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.0000 767:10 Mid 4.64, 4.93 A assign (resid 52 and name HB) (resid 32 and name HN) 3.65 1.85 1.85 ! 0.3417 768:10 Ambig 5.50, 6.34 A or (resid 27 and name HB) (resid 32 and name HN) ! 0.2978 768:10 ----- 5.62, 5.88 A or (resid 36 and name HG12) (resid 32 and name HN) ! 0.2287 768:10 ----- 5.88, 6.07 A or (resid 36 and name HB) (resid 32 and name HN) ! 0.0729 768:10 ----- 7.11, 7.38 A or (resid 46 and name HG) (resid 32 and name HN) ! 0.0589 768:10 ----- 7.37, 7.81 A assign (resid 27 and name HB) (resid 27 and name HN) 3.15 1.35 1.35 ! 0.8482 769:10 Ambig 2.73, 3.04 A or (resid 26 and name HB) (resid 27 and name HN) ! 0.1002 769:10 ----- 3.90, 3.98 A or (resid 52 and name HB) (resid 27 and name HN) ! 0.0486 769:10 ----- 4.40, 5.08 A assign (resid 46 and name HG) (resid 45 and name HN) 3.15 1.35 1.35 ! 0.7427 770:10 Ambig 4.00, 4.25 A or (resid 48 and name HG1) (resid 45 and name HN) ! 0.2274 770:10 ----- 4.87, 5.42 A assign (resid 84 and name HB) (resid 6 and name HN) 3.15 1.35 1.35 ! 0.9905 771:10 Long 3.28, 3.51 A assign (resid 14 and name HB2) (resid 15 and name HN) 2.65 0.85 0.85 ! 0.8711 772:10 Ambig 2.33, 2.76 A or (resid 15 and name HB1) (resid 15 and name HN) ! 0.0701 772:10 ----- 3.55, 3.59 A or (resid 16 and name HG12) (resid 15 and name HN) ! 0.0572 772:10 ----- 3.67, 3.84 A assign (resid 46 and name HG) (resid 46 and name HN) 2.65 0.85 0.85 ! 0.9990 773:10 Intra 2.05, 2.14 A assign (resid 86 and name HA) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.9889 774:10 Intra 2.87, 2.92 A assign (resid 82 and name HA) (resid 100 and name HD21) 3.65 1.85 1.85 ! 0.6178 775:10 Ambig 3.51, 4.21 A or (resid 100 and name HA) (resid 100 and name HD21) ! 0.3822 775:10 ----- 3.80, 4.37 A assign (resid 85 and name HA) (resid 86 and name HN) 2.65 0.85 0.85 ! 0.0000 776:10 Seq 2.17, 2.26 A assign (resid 6 and name HA) (resid 8 and name HN) 3.15 1.35 1.35 ! 0.9611 777:10 Mid 3.79, 4.19 A assign (resid 110 and name HA) (resid 110 and name HN) 3.15 1.35 1.35 ! 0.0000 778:10 Intra 2.84, 2.89 A assign (resid 49 and name HA2) (resid 49 and name HN) 2.30 0.50 0.50 ! 0.8603 779:10 Ambig 2.38, 2.50 A or (resid 48 and name HA) (resid 49 and name HN) ! 0.1397 779:10 ----- 3.23, 3.31 A assign (resid 74 and name HA) (resid 74 and name HN) 2.65 0.85 0.85 ! 0.0000 780:10 Intra 2.79, 2.82 A assign (resid 30 and name HA) (resid 33 and name HN) 3.15 1.35 1.35 ! 0.0000 781:10 Mid 3.18, 3.42 A assign (resid 92 and name HA) (resid 92 and name HD22) 3.65 1.85 1.85 ! 0.0000 782:10 Intra 4.32, 4.59 A assign (resid 80 and name HA) (resid 80 and name HD21) 3.65 1.85 1.85 ! 0.9991 783:10 Intra 1.91, 3.11 A assign (resid 98 and name HA2) (resid 98 and name HN) 2.30 0.50 0.50 ! 0.7306 784:10 Ambig 2.32, 2.37 A or (resid 95 and name HA) (resid 98 and name HN) ! 0.2694 784:10 ----- 2.74, 3.34 A assign (resid 8 and name HB2) (resid 8 and name HN) 3.15 1.35 1.35 ! 0.9971 785:10 Intra 2.41, 3.11 A assign (resid 109 and name HA) (resid 110 and name HN) 2.65 0.85 0.85 ! 0.0000 786:10 Seq 3.31, 3.41 A assign (resid 38 and name HA) (resid 38 and name HN) 2.65 0.85 0.85 ! 0.0000 787:10 Intra 2.85, 2.89 A assign (resid 68 and name HA) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.9899 788:10 Intra 2.78, 2.80 A assign (resid 38 and name HA) (resid 39 and name HN) 3.15 1.35 1.35 ! 0.0000 789:10 Seq 3.20, 3.36 A assign (resid 18 and name HA1) (resid 18 and name HN) 2.30 0.50 0.50 ! 0.9973 790:10 Intra 2.25, 2.32 A assign (resid 19 and name HA) (resid 19 and name HN) 2.65 0.85 0.85 ! 0.0000 791:10 Intra 2.86, 2.91 A assign (resid 68 and name HA) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.0000 792:10 Mid 4.05, 4.28 A assign (resid 31 and name HA2) (resid 31 and name HN) 3.15 1.35 1.35 ! 0.9420 793:10 Ambig 2.79, 2.81 A or (resid 68 and name HA) (resid 31 and name HN) ! 0.0527 793:10 ----- 4.51, 5.06 A assign (resid 6 and name HB2) (resid 73 and name HN) 4.15 2.35 2.35 ! 0.0000 794:10 Long 5.12, 6.01 A assign (resid 79 and name HA) (resid 79 and name HN) 2.65 0.85 0.85 ! 0.9074 795:10 Ambig 2.86, 2.90 A or (resid 77 and name HA) (resid 79 and name HN) ! 0.0926 795:10 ----- 4.19, 4.53 A assign (resid 33 and name HA) (resid 33 and name HN) 2.65 0.85 0.85 ! 0.9415 796:10 Ambig 2.78, 2.81 A or (resid 29 and name HB) (resid 33 and name HN) ! 0.0353 796:10 ----- 4.81, 5.22 A assign (resid 107 and name HA) (resid 20 and name HD22) 3.65 1.85 1.85 ! 0.0000 798:10 Long 4.00, 4.72 A assign (resid 108 and name HA) (resid 108 and name HN) 2.65 0.85 0.85 ! 0.7847 799:10 Ambig 2.79, 2.82 A or (resid 107 and name HA) (resid 108 and name HN) ! 0.2087 799:10 ----- 3.48, 3.53 A assign (resid 107 and name HA) (resid 110 and name HN) 3.65 1.85 1.85 ! 0.6598 800:10 Ambig 3.16, 3.43 A or (resid 108 and name HA) (resid 110 and name HN) ! 0.3402 800:10 ----- 3.53, 3.95 A assign (resid 44 and name HA) (resid 44 and name HN) 2.65 0.85 0.85 ! 0.0000 801:10 Intra 2.74, 2.78 A assign (resid 8 and name HA) (resid 8 and name HN) 2.65 0.85 0.85 ! 0.0000 802:10 Intra 2.77, 2.83 A assign (resid 6 and name HB2) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.8187 803:10 Ambig 3.45, 4.63 A or (resid 8 and name HA) (resid 86 and name HN) ! 0.1813 803:10 ----- 4.43, 4.72 A assign (resid 67 and name HA) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.0000 804:10 Mid 2.92, 3.23 A assign (resid 62 and name HA) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.0000 805:10 Seq 2.18, 2.28 A assign (resid 33 and name HB*) (resid 33 and name HN) 2.30 0.50 0.50 ! 0.0000 806:10 Intra 2.39, 2.92 A assign (resid 78 and name HA) (resid 80 and name HD21) 3.65 1.85 1.85 ! 0.5677 808:10 Ambig 4.06, 7.23 A or (resid 99 and name HA) (resid 80 and name HD21) ! 0.4323 808:10 ----- 4.24, 5.32 A assign (resid 11 and name HA1) (resid 11 and name HN) 3.15 1.35 1.35 ! 0.9809 809:10 Intra 2.86, 2.91 A assign (resid 67 and name HA) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.0000 810:10 Seq 3.39, 3.49 A assign (resid 96 and name HA) (resid 98 and name HN) 3.15 1.35 1.35 ! 0.8404 811:10 Ambig 3.57, 3.79 A or (resid 99 and name HA) (resid 98 and name HN) ! 0.1383 811:10 ----- 4.82, 4.93 A assign (resid 37 and name HA) (resid 38 and name HN) 2.65 0.85 0.85 ! 0.8825 812:10 Ambig 2.32, 4.31 A or (resid 39 and name HA1) (resid 38 and name HN) ! 0.1073 812:10 ----- 3.30, 3.46 A or (resid 67 and name HA) (resid 67 and name HE21) ! 0.0000 812:10 ----- 0.00, 0.00 A assign (resid 39 and name HA1) (resid 39 and name HN) 2.65 0.85 0.85 ! 0.8373 813:10 Ambig 2.81, 2.87 A or (resid 37 and name HA) (resid 39 and name HN) ! 0.1627 813:10 ----- 3.69, 3.95 A assign (resid 8 and name HB1) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.9324 814:10 Ambig 2.36, 3.73 A or (resid 6 and name HB1) (resid 86 and name HN) ! 0.0676 814:10 ----- 3.66, 4.69 A assign (resid 72 and name HA) (resid 73 and name HN) 3.65 1.85 1.85 ! 0.8994 815:10 Ambig 3.50, 3.52 A or (resid 6 and name HB1) (resid 73 and name HN) ! 0.0876 815:10 ----- 5.16, 5.92 A assign (resid 110 and name HB*) (resid 110 and name HN) 3.15 1.35 1.35 ! 0.9428 816:10 Ambig 2.42, 3.09 A or (resid 111 and name HB*) (resid 110 and name HN) ! 0.0535 816:10 ----- 3.90, 5.02 A assign (resid 6 and name HB1) (resid 8 and name HN) 3.15 1.35 1.35 ! 0.5237 817:10 Ambig 2.61, 3.14 A or (resid 8 and name HB1) (resid 8 and name HN) ! 0.4750 817:10 ----- 2.66, 3.11 A assign (resid 105 and name HA) (resid 108 and name HN) 2.65 0.85 0.85 ! 0.7308 818:10 Ambig 2.81, 3.20 A or (resid 70 and name HA) (resid 74 and name HN) ! 0.1414 818:10 ----- 3.70, 3.95 A or (resid 72 and name HA) (resid 74 and name HN) ! 0.0534 818:10 ----- 4.35, 4.47 A or (resid 110 and name HB*) (resid 108 and name HN) ! 0.0264 818:10 ----- 4.89, 6.22 A assign (resid 11 and name HA2) (resid 11 and name HN) 3.15 1.35 1.35 ! 0.9935 820:10 Intra 2.30, 2.35 A assign (resid 31 and name HA1) (resid 31 and name HN) 3.15 1.35 1.35 ! 0.9916 821:10 Intra 2.25, 2.27 A assign (resid 66 and name HD2) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.6820 822:10 Ambig 4.92, 5.47 A or (resid 7 and name HD*) (resid 68 and name HN) ! 0.1887 822:10 ----- 6.09, 6.76 A or (resid 70 and name HA) (resid 68 and name HN) ! 0.1293 822:10 ----- 6.49, 6.77 A assign (resid 70 and name HB*) (resid 70 and name HN) 2.65 0.85 0.85 ! 0.9528 823:10 Intra 2.46, 2.97 A assign (resid 35 and name HA) (resid 38 and name HN) 2.65 0.85 0.85 ! 0.5390 824:10 Ambig 3.38, 3.56 A or (resid 36 and name HA) (resid 38 and name HN) ! 0.1810 824:10 ----- 4.05, 4.36 A or (resid 70 and name HB*) (resid 67 and name HE21) ! 0.1786 824:10 ----- 4.06, 6.35 A or (resid 39 and name HA2) (resid 38 and name HN) ! 0.1014 824:10 ----- 4.46, 4.69 A assign (resid 39 and name HA2) (resid 39 and name HN) 2.30 0.50 0.50 ! 0.8847 825:10 Ambig 2.28, 2.32 A or (resid 36 and name HA) (resid 39 and name HN) ! 0.0846 825:10 ----- 3.37, 3.70 A assign (resid 70 and name HB*) (resid 73 and name HN) 3.65 1.85 1.85 ! 0.5440 826:10 Ambig 5.18, 5.54 A or (resid 7 and name HD*) (resid 73 and name HN) ! 0.4560 826:10 ----- 5.34, 5.77 A assign (resid 44 and name HB*) (resid 44 and name HN) 2.30 0.50 0.50 ! 0.9987 827:10 Intra 2.45, 2.98 A assign (resid 49 and name HA1) (resid 49 and name HN) 2.65 0.85 0.85 ! 0.9958 828:10 Intra 2.93, 2.95 A assign (resid 98 and name HA1) (resid 98 and name HN) 2.65 0.85 0.85 ! 0.0000 829:10 Intra 2.89, 2.93 A assign (resid 18 and name HA2) (resid 19 and name HN) 2.65 0.85 0.85 ! 0.0000 830:10 Seq 3.37, 3.49 A assign (resid 63 and name HA1) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.7950 831:10 Ambig 2.25, 2.36 A or (resid 63 and name HA2) (resid 63 and name HN) ! 0.2050 831:10 ----- 2.82, 2.90 A assign (resid 18 and name HA2) (resid 18 and name HN) 2.65 0.85 0.85 ! 0.7717 832:10 Ambig 2.80, 2.88 A or (resid 14 and name HA) (resid 18 and name HN) ! 0.2283 832:10 ----- 3.43, 4.07 A assign (resid 32 and name HA) (resid 33 and name HN) 3.15 1.35 1.35 ! 0.0000 833:10 Seq 3.47, 3.50 A assign (resid 32 and name HA) (resid 31 and name HN) 3.65 1.85 1.85 ! 0.8792 834:10 Ambig 5.21, 5.30 A or (resid 71 and name HA) (resid 31 and name HN) ! 0.1208 834:10 ----- 7.25, 7.57 A assign (resid 71 and name HA) (resid 74 and name HN) 3.15 1.35 1.35 ! 0.7673 835:10 Ambig 3.00, 3.41 A or (resid 104 and name HA) (resid 108 and name HN) ! 0.1932 835:10 ----- 3.78, 4.01 A assign (resid 73 and name HA) (resid 73 and name HN) 3.15 1.35 1.35 ! 0.9930 838:10 Intra 2.78, 2.80 A assign (resid 16 and name HA) (resid 19 and name HN) 3.65 1.85 1.85 ! 0.0000 839:10 Mid 3.20, 3.63 A assign (resid 66 and name HD1) (resid 70 and name HN) 4.15 2.35 2.35 ! 0.0000 840:10 Mid 5.77, 6.17 A assign (resid 80 and name HB2) (resid 80 and name HD21) 3.15 1.35 1.35 ! 0.0000 841:10 Intra 2.23, 2.91 A assign (resid 80 and name HB2) (resid 80 and name HD22) 3.15 1.35 1.35 ! 0.0000 842:10 Intra 3.48, 3.79 A assign (resid 80 and name HB2) (resid 79 and name HN) 4.15 2.35 2.35 ! 0.0000 843:10 Seq 5.00, 5.31 A assign (resid 77 and name HB1) (resid 74 and name HN) 3.65 1.85 1.85 ! 0.0000 845:10 Mid 4.84, 4.98 A assign (resid 34 and name HB2) (resid 31 and name HN) 3.65 1.85 1.85 ! 0.0000 846:10 Mid 5.15, 5.38 A assign (resid 34 and name HB2) (resid 33 and name HN) 3.65 1.85 1.85 ! 0.0000 848:10 Seq 4.79, 4.99 A assign (resid 100 and name HB2) (resid 100 and name HD21) 3.15 1.35 1.35 ! 0.0000 850:10 Intra 2.86, 2.99 A assign (resid 100 and name HB2) (resid 100 and name HD22) 3.15 1.35 1.35 ! 0.0000 851:10 Intra 3.76, 3.83 A assign (resid 20 and name HB2) (resid 20 and name HD21) 2.65 0.85 0.85 ! 0.4802 852:10 Ambig 2.15, 2.68 A or (resid 64 and name HB2) (resid 64 and name HD21) ! 0.4588 852:10 ----- 2.17, 2.74 A or (resid 89 and name HB2) (resid 64 and name HD21) ! 0.0587 852:10 ----- 3.05, 5.24 A assign (resid 92 and name HB1) (resid 92 and name HD21) 2.65 0.85 0.85 ! 0.6920 853:10 Ambig 2.09, 2.34 A or (resid 92 and name HB2) (resid 92 and name HD21) ! 0.2872 853:10 ----- 2.42, 3.31 A assign (resid 92 and name HB1) (resid 92 and name HD22) 2.65 0.85 0.85 ! 0.2793 854:10 Ambig 3.41, 3.52 A or (resid 20 and name HB2) (resid 20 and name HD22) ! 0.2567 854:10 ----- 3.45, 3.68 A or (resid 20 and name HB1) (resid 20 and name HD22) ! 0.2530 854:10 ----- 3.46, 3.78 A or (resid 92 and name HB2) (resid 92 and name HD22) ! 0.2110 854:10 ----- 3.57, 3.97 A assign (resid 68 and name HB*) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.0000 855:10 Intra 2.74, 3.27 A assign (resid 80 and name HB1) (resid 79 and name HN) 3.65 1.85 1.85 ! 0.5318 856:10 Ambig 5.64, 5.83 A or (resid 2 and name HB*) (resid 79 and name HN) ! 0.4682 856:10 ----- 5.76, 6.46 A assign (resid 34 and name HB1) (resid 33 and name HN) 3.65 1.85 1.85 ! 0.0000 857:10 Seq 4.56, 4.82 A assign (resid 68 and name HB*) (resid 31 and name HN) 3.65 1.85 1.85 ! 0.7735 858:10 Ambig 4.13, 4.82 A or (resid 34 and name HB1) (resid 31 and name HN) ! 0.2265 858:10 ----- 5.07, 5.27 A assign (resid 80 and name HB1) (resid 80 and name HD21) 2.65 0.85 0.85 ! 0.0000 859:10 Intra 2.14, 3.00 A assign (resid 100 and name HB1) (resid 100 and name HD21) 3.15 1.35 1.35 ! 0.0000 860:10 Intra 2.24, 2.28 A assign (resid 100 and name HB1) (resid 100 and name HD22) 3.15 1.35 1.35 ! 0.0000 861:10 Intra 3.48, 3.51 A assign (resid 47 and name HB1) (resid 49 and name HN) 3.65 1.85 1.85 ! 0.7186 862:10 Ambig 4.69, 4.87 A or (resid 47 and name HB2) (resid 49 and name HN) ! 0.2814 862:10 ----- 5.49, 5.62 A assign (resid 87 and name HB2) (resid 8 and name HN) 4.15 2.35 2.35 ! 0.0000 863:10 Long 4.94, 5.53 A assign (resid 87 and name HB2) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.0000 864:10 Seq 4.21, 4.50 A assign (resid 43 and name HB2) (resid 44 and name HN) 2.65 0.85 0.85 ! 0.5336 865:10 Ambig 2.07, 3.28 A or (resid 43 and name HB1) (resid 44 and name HN) ! 0.4005 865:10 ----- 2.17, 3.05 A or (resid 41 and name HB2) (resid 44 and name HN) ! 0.0621 865:10 ----- 2.96, 4.36 A assign (resid 64 and name HB1) (resid 64 and name HD21) 3.15 1.35 1.35 ! 0.0000 866:10 Intra 2.17, 2.57 A assign (resid 64 and name HB1) (resid 64 and name HD22) 3.15 1.35 1.35 ! 0.0000 867:10 Intra 3.44, 3.63 A assign (resid 22 and name HB2) (resid 22 and name HD22) 3.15 1.35 1.35 ! 0.9581 868:10 Intra 3.46, 3.75 A assign (resid 87 and name HB1) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.0000 869:10 Seq 4.24, 4.48 A assign (resid 67 and name HG1) (resid 67 and name HE21) 3.15 1.35 1.35 ! 0.0000 870:10 Intra 2.19, 3.07 A assign (resid 67 and name HG1) (resid 67 and name HE22) 3.65 1.85 1.85 ! 0.0000 871:10 Intra 3.44, 3.86 A assign (resid 78 and name HB1) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.0000 872:10 Seq 2.34, 2.85 A assign (resid 32 and name HB) (resid 33 and name HN) 3.15 1.35 1.35 ! 0.0000 873:10 Seq 3.68, 3.83 A assign (resid 71 and name HG1) (resid 31 and name HN) 4.15 2.35 2.35 ! 0.8736 874:10 Ambig 4.57, 6.13 A or (resid 32 and name HB) (resid 31 and name HN) ! 0.1264 874:10 ----- 6.31, 6.41 A assign (resid 74 and name HG2) (resid 73 and name HN) 3.65 1.85 1.85 ! 0.0000 875:10 Seq 4.56, 4.80 A assign (resid 67 and name HG2) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.9960 876:10 Seq 3.03, 4.53 A assign (resid 78 and name HB2) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.0000 877:10 Seq 2.28, 3.65 A assign (resid 48 and name HB2) (resid 49 and name HN) 3.15 1.35 1.35 ! 0.0000 878:10 Seq 3.26, 3.50 A assign (resid 107 and name HB1) (resid 108 and name HN) 2.65 0.85 0.85 ! 0.9897 879:10 Seq 2.36, 2.51 A assign (resid 86 and name HG1) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.8930 880:10 Ambig 3.12, 4.00 A or (resid 90 and name HB) (resid 86 and name HN) ! 0.1070 880:10 ----- 4.44, 4.91 A assign (resid 15 and name HB2) (resid 18 and name HN) 3.65 1.85 1.85 ! 0.6076 881:10 Ambig 5.33, 5.60 A or (resid 15 and name HG2) (resid 18 and name HN) ! 0.3924 881:10 ----- 5.74, 6.14 A assign (resid 69 and name HG1) (resid 8 and name HN) 3.65 1.85 1.85 ! 0.8898 882:10 Ambig 3.69, 5.01 A or (resid 90 and name HB) (resid 8 and name HN) ! 0.0617 882:10 ----- 5.75, 6.07 A assign (resid 30 and name HG) (resid 31 and name HN) 3.15 1.35 1.35 ! 0.6283 883:10 Ambig 4.13, 4.44 A or (resid 71 and name HB*) (resid 31 and name HN) ! 0.3546 883:10 ----- 4.54, 5.36 A assign (resid 67 and name HB1) (resid 67 and name HE22) 3.65 1.85 1.85 ! 0.0000 884:10 Intra 3.65, 4.19 A assign (resid 69 and name HG2) (resid 8 and name HN) 3.65 1.85 1.85 ! 0.6911 885:10 Ambig 3.21, 4.77 A or (resid 69 and name HB1) (resid 8 and name HN) ! 0.2949 885:10 ----- 3.70, 4.91 A assign (resid 86 and name HB1) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.9774 886:10 Intra 3.55, 3.61 A assign (resid 5 and name HB) (resid 28 and name HN) 3.65 1.85 1.85 ! 0.7304 887:10 Ambig 4.32, 4.85 A or (resid 75 and name HB) (resid 28 and name HN) ! 0.1331 887:10 ----- 5.73, 5.95 A or (resid 5 and name HG12) (resid 28 and name HN) ! 0.0816 887:10 ----- 6.22, 7.38 A or (resid 30 and name HG) (resid 28 and name HN) ! 0.0549 887:10 ----- 6.64, 7.37 A assign (resid 67 and name HB2) (resid 68 and name HN) 2.65 0.85 0.85 ! 0.4979 888:10 Ambig 2.56, 3.37 A or (resid 67 and name HB1) (resid 68 and name HN) ! 0.4706 888:10 ----- 2.59, 3.48 A assign (resid 74 and name HG1) (resid 74 and name HN) 2.65 0.85 0.85 ! 0.8065 889:10 Ambig 3.38, 3.66 A or (resid 75 and name HB) (resid 74 and name HN) ! 0.1009 889:10 ----- 4.78, 4.91 A or (resid 73 and name HG12) (resid 74 and name HN) ! 0.0926 889:10 ----- 4.84, 4.96 A assign (resid 69 and name HB1) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.6872 890:10 Ambig 3.54, 3.79 A or (resid 69 and name HG2) (resid 70 and name HN) ! 0.3128 890:10 ----- 4.04, 4.30 A assign (resid 30 and name HB2) (resid 31 and name HN) 3.15 1.35 1.35 ! 0.9972 891:10 Seq 2.73, 2.93 A assign (resid 36 and name HG12) (resid 33 and name HN) 3.15 1.35 1.35 ! 0.5784 892:10 Ambig 4.41, 4.65 A or (resid 36 and name HB) (resid 33 and name HN) ! 0.2702 892:10 ----- 5.00, 5.23 A or (resid 30 and name HB2) (resid 33 and name HN) ! 0.1514 892:10 ----- 5.51, 5.68 A assign (resid 93 and name HB2) (resid 92 and name HD21) 4.15 2.35 2.35 ! 0.0000 893:10 Seq 3.18, 4.12 A assign (resid 93 and name HB2) (resid 92 and name HD22) 4.15 2.35 2.35 ! 0.0000 894:10 Seq 3.94, 5.42 A assign (resid 37 and name HB*) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.0000 895:10 Seq 2.51, 4.05 A assign (resid 37 and name HB*) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.5695 897:10 Ambig 4.80, 5.55 A or (resid 36 and name HB) (resid 39 and name HN) ! 0.2893 897:10 ----- 5.37, 5.54 A or (resid 36 and name HG12) (resid 39 and name HN) ! 0.1412 897:10 ----- 6.05, 6.37 A assign (resid 48 and name HB1) (resid 49 and name HN) 3.15 1.35 1.35 ! 0.5952 898:10 Ambig 4.03, 4.18 A or (resid 48 and name HG1) (resid 49 and name HN) ! 0.3595 898:10 ----- 4.38, 4.73 A assign (resid 99 and name HB) (resid 98 and name HN) 3.15 1.35 1.35 ! 0.8725 899:10 Ambig 4.35, 4.50 A or (resid 95 and name HD2) (resid 98 and name HN) ! 0.1275 899:10 ----- 6.00, 7.09 A assign (resid 27 and name HB) (resid 28 and name HN) 3.15 1.35 1.35 ! 0.7607 900:10 Ambig 3.97, 4.09 A or (resid 30 and name HB2) (resid 28 and name HN) ! 0.1003 900:10 ----- 5.57, 5.95 A or (resid 26 and name HB) (resid 28 and name HN) ! 0.0707 900:10 ----- 5.90, 6.23 A or (resid 52 and name HB) (resid 28 and name HN) ! 0.0682 900:10 ----- 5.94, 6.82 A assign (resid 84 and name HB) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.8462 902:10 Ambig 4.17, 4.27 A or (resid 104 and name HB) (resid 85 and name HN) ! 0.0917 902:10 ----- 6.04, 6.39 A or (resid 91 and name HB) (resid 85 and name HN) ! 0.0621 902:10 ----- 6.45, 6.64 A assign (resid 95 and name HD1) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.6914 903:10 Ambig 2.99, 4.71 A or (resid 95 and name HG*) (resid 101 and name HN) ! 0.3021 903:10 ----- 3.43, 5.09 A assign (resid 108 and name HB1) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.9900 904:10 Seq 3.53, 3.74 A assign (resid 61 and name HB2) (resid 61 and name HN) 2.30 0.50 0.50 ! 0.5214 905:10 Ambig 2.36, 2.65 A or (resid 61 and name HB1) (resid 61 and name HN) ! 0.4650 905:10 ----- 2.41, 3.06 A assign (resid 107 and name HG) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.7362 906:10 Ambig 4.49, 4.56 A or (resid 104 and name HB) (resid 107 and name HN) ! 0.2638 906:10 ----- 5.32, 5.49 A assign (resid 65 and name HG) (resid 65 and name HN) 2.65 0.85 0.85 ! 0.9966 907:10 Intra 2.34, 2.72 A assign (resid 13 and name HG) (resid 13 and name HN) 2.65 0.85 0.85 ! 0.5414 908:10 Ambig 2.02, 3.29 A or (resid 13 and name HB2) (resid 13 and name HN) ! 0.4571 908:10 ----- 2.08, 2.55 A assign (resid 74 and name HE*) (resid 77 and name HN) 3.65 1.85 1.85 ! 0.8003 909:10 Ambig 3.98, 5.09 A or (resid 73 and name HB) (resid 77 and name HN) ! 0.1071 909:10 ----- 5.57, 5.68 A or (resid 97 and name HB1) (resid 77 and name HN) ! 0.0683 909:10 ----- 6.01, 6.61 A assign (resid 104 and name HB) (resid 105 and name HN) 2.65 0.85 0.85 ! 0.9954 911:10 Seq 2.65, 2.81 A assign (resid 91 and name HB) (resid 91 and name HN) 2.65 0.85 0.85 ! 0.9815 912:10 Intra 2.42, 2.47 A assign (resid 91 and name HB) (resid 92 and name HN) 2.65 0.85 0.85 ! 0.9107 913:10 Ambig 2.36, 2.46 A or (resid 88 and name HD*) (resid 92 and name HN) ! 0.0606 913:10 ----- 3.71, 6.75 A assign (resid 61 and name HB2) (resid 62 and name HN) 3.15 1.35 1.35 ! 0.9173 914:10 Ambig 2.36, 5.39 A or (resid 61 and name HD2) (resid 62 and name HN) ! 0.0827 914:10 ----- 3.52, 4.28 A or (resid 61 and name HD1) (resid 62 and name HN) ! 0.0000 914:10 ----- 0.00, 0.00 A assign (resid 88 and name HD*) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.9990 915:10 Intra 1.97, 4.14 A assign (resid 53 and name HB1) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.9920 916:10 Intra 2.56, 2.71 A assign (resid 112 and name HB*) (resid 113 and name HN) 3.15 1.35 1.35 ! 0.9754 917:10 Seq 2.17, 3.81 A assign (resid 53 and name HB1) (resid 54 and name HN) 3.15 1.35 1.35 ! 0.0000 918:10 Seq 3.74, 4.11 A assign (resid 112 and name HG) (resid 112 and name HN) 2.65 0.85 0.85 ! 0.7625 919:10 Ambig 2.02, 2.86 A or (resid 112 and name HB*) (resid 112 and name HN) ! 0.2298 919:10 ----- 2.46, 3.28 A assign (resid 51 and name HG12) (resid 52 and name HN) 3.15 1.35 1.35 ! 0.5357 920:10 Ambig 4.68, 4.85 A or (resid 46 and name HB1) (resid 52 and name HN) ! 0.2159 920:10 ----- 5.45, 6.28 A or (resid 53 and name HB1) (resid 52 and name HN) ! 0.1373 920:10 ----- 5.87, 6.11 A or (resid 50 and name HB) (resid 52 and name HN) ! 0.1111 920:10 ----- 6.09, 6.50 A assign (resid 14 and name HB1) (resid 15 and name HN) 3.15 1.35 1.35 ! 0.6618 921:10 Ambig 3.51, 3.80 A or (resid 14 and name HD*) (resid 15 and name HN) ! 0.2203 921:10 ----- 4.22, 5.56 A or (resid 12 and name HD2) (resid 15 and name HN) ! 0.0933 921:10 ----- 4.87, 7.00 A assign (resid 79 and name HG) (resid 78 and name HN) 3.15 1.35 1.35 ! 0.3856 922:10 Ambig 4.27, 4.52 A or (resid 74 and name HE*) (resid 78 and name HN) ! 0.3460 922:10 ----- 4.35, 5.73 A or (resid 74 and name HE*) (resid 75 and name HN) ! 0.1258 922:10 ----- 5.15, 5.98 A or (resid 72 and name HB*) (resid 75 and name HN) ! 0.0997 922:10 ----- 5.35, 5.67 A assign (resid 95 and name HG*) (resid 96 and name HN) 3.15 1.35 1.35 ! 0.8544 923:10 Ambig 2.84, 4.11 A or (resid 97 and name HG) (resid 96 and name HN) ! 0.0943 923:10 ----- 4.10, 4.26 A or (resid 97 and name HB2) (resid 96 and name HN) ! 0.0422 923:10 ----- 4.69, 4.83 A assign (resid 88 and name HD*) (resid 89 and name HN) 3.65 1.85 1.85 ! 0.9824 924:10 Seq 2.50, 5.26 A assign (resid 72 and name HB*) (resid 72 and name HN) 2.30 0.50 0.50 ! 0.0000 925:10 Intra 2.51, 2.89 A assign (resid 79 and name HG) (resid 80 and name HN) 3.15 1.35 1.35 ! 0.0000 926:10 Seq 4.36, 4.49 A assign (resid 97 and name HG) (resid 97 and name HN) 2.30 0.50 0.50 ! 0.5674 927:10 Ambig 2.28, 2.43 A or (resid 97 and name HB2) (resid 97 and name HN) ! 0.3696 927:10 ----- 2.45, 2.48 A or (resid 97 and name HB1) (resid 97 and name HN) ! 0.0376 927:10 ----- 3.58, 3.61 A assign (resid 72 and name HB*) (resid 71 and name HN) 4.15 2.35 2.35 ! 0.0000 928:10 Seq 4.72, 5.38 A assign (resid 14 and name HD*) (resid 14 and name HN) 2.65 0.85 0.85 ! 0.5832 929:10 Ambig 2.06, 4.27 A or (resid 13 and name HB2) (resid 14 and name HN) ! 0.3381 929:10 ----- 2.25, 3.18 A or (resid 13 and name HG) (resid 14 and name HN) ! 0.0507 929:10 ----- 3.09, 4.25 A assign (resid 72 and name HB*) (resid 5 and name HN) 3.65 1.85 1.85 ! 0.7820 930:10 Ambig 4.65, 5.81 A or (resid 83 and name HB2) (resid 5 and name HN) ! 0.0644 930:10 ----- 7.05, 7.28 A or (resid 53 and name HB1) (resid 5 and name HN) ! 0.0637 930:10 ----- 7.07, 7.39 A or (resid 51 and name HG12) (resid 5 and name HN) ! 0.0468 930:10 ----- 7.44, 7.76 A assign (resid 51 and name HG12) (resid 51 and name HN) 2.65 0.85 0.85 ! 0.9496 931:10 Ambig 1.98, 2.07 A or (resid 24 and name HD2) (resid 51 and name HN) ! 0.0375 931:10 ----- 3.39, 5.44 A assign (resid 51 and name HG12) (resid 26 and name HN) 3.65 1.85 1.85 ! 0.5363 933:10 Ambig 4.68, 4.89 A or (resid 23 and name HB1) (resid 26 and name HN) ! 0.1685 933:10 ----- 5.67, 6.03 A or (resid 24 and name HD2) (resid 26 and name HN) ! 0.1067 933:10 ----- 6.12, 7.15 A or (resid 50 and name HB) (resid 26 and name HN) ! 0.0757 933:10 ----- 6.48, 6.70 A or (resid 53 and name HB1) (resid 26 and name HN) ! 0.0584 933:10 ----- 6.77, 7.02 A or (resid 24 and name HB2) (resid 26 and name HN) ! 0.0544 933:10 ----- 6.85, 7.16 A assign (resid 40 and name HB) (resid 40 and name HN) 2.30 0.50 0.50 ! 0.3736 934:10 Ambig 2.43, 2.53 A or (resid 23 and name HB1) (resid 24 and name HN) ! 0.3680 934:10 ----- 2.43, 2.76 A or (resid 24 and name HB2) (resid 24 and name HN) ! 0.2313 934:10 ----- 2.63, 2.73 A assign (resid 16 and name HB) (resid 16 and name HN) 3.15 1.35 1.35 ! 0.8042 935:10 Ambig 3.64, 3.66 A or (resid 17 and name HB2) (resid 16 and name HN) ! 0.1958 935:10 ----- 4.61, 4.96 A assign (resid 86 and name HB2) (resid 10 and name HN) 3.65 1.85 1.85 ! 0.5174 936:10 Ambig 4.70, 5.19 A or (resid 13 and name HG) (resid 10 and name HN) ! 0.3748 936:10 ----- 4.96, 6.20 A or (resid 12 and name HD2) (resid 10 and name HN) ! 0.0617 936:10 ----- 6.70, 7.73 A assign (resid 42 and name HB) (resid 42 and name HN) 2.65 0.85 0.85 ! 0.0000 937:10 Intra 2.63, 2.89 A assign (resid 35 and name HB*) (resid 35 and name HN) 2.30 0.50 0.50 ! 0.9627 938:10 Intra 2.40, 2.89 A assign (resid 42 and name HB) (resid 43 and name HN) 3.15 1.35 1.35 ! 0.0000 939:10 Seq 4.01, 4.09 A assign (resid 50 and name HB) (resid 45 and name HN) 3.65 1.85 1.85 ! 0.4293 940:10 Ambig 4.99, 5.23 A or (resid 42 and name HB) (resid 45 and name HN) ! 0.2732 940:10 ----- 5.38, 5.63 A or (resid 46 and name HB1) (resid 45 and name HN) ! 0.1597 940:10 ----- 5.89, 6.05 A or (resid 17 and name HG) (resid 45 and name HN) ! 0.0881 940:10 ----- 6.50, 7.35 A assign (resid 23 and name HB1) (resid 3 and name HN) 2.65 0.85 0.85 ! 0.9142 941:10 Ambig 3.00, 3.30 A or (resid 24 and name HB2) (resid 3 and name HN) ! 0.0450 941:10 ----- 4.95, 5.25 A assign (resid 50 and name HB) (resid 50 and name HN) 2.30 0.50 0.50 ! 0.9351 942:10 Ambig 2.50, 2.53 A or (resid 17 and name HG) (resid 50 and name HN) ! 0.0336 942:10 ----- 4.34, 6.01 A assign (resid 50 and name HB) (resid 46 and name HN) 2.65 0.85 0.85 ! 0.5101 944:10 Ambig 3.48, 3.66 A or (resid 46 and name HB1) (resid 46 and name HN) ! 0.4577 944:10 ----- 3.54, 3.56 A assign (resid 35 and name HB*) (resid 36 and name HN) 2.65 0.85 0.85 ! 0.9180 945:10 Ambig 2.43, 3.37 A or (resid 37 and name HG2) (resid 36 and name HN) ! 0.0378 945:10 ----- 4.14, 4.66 A assign (resid 23 and name HB1) (resid 23 and name HN) 3.15 1.35 1.35 ! 0.9252 946:10 Ambig 3.58, 3.69 A or (resid 24 and name HB2) (resid 23 and name HN) ! 0.0477 946:10 ----- 5.86, 6.10 A assign (resid 88 and name HG2) (resid 88 and name HN) 3.15 1.35 1.35 ! 0.6001 947:10 Ambig 1.84, 3.74 A or (resid 88 and name HG1) (resid 88 and name HN) ! 0.3995 947:10 ----- 1.97, 3.59 A assign (resid 27 and name HG11) (resid 32 and name HN) 3.65 1.85 1.85 ! 0.9592 948:10 Long 2.73, 3.65 A assign (resid 69 and name HB2) (resid 69 and name HN) 2.65 0.85 0.85 ! 0.9329 949:10 Ambig 2.42, 2.72 A or (resid 7 and name HG*) (resid 69 and name HN) ! 0.0605 949:10 ----- 3.81, 4.92 A assign (resid 93 and name HB1) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.9408 950:10 Ambig 2.26, 2.90 A or (resid 93 and name HD2) (resid 94 and name HN) ! 0.0556 950:10 ----- 3.62, 4.73 A assign (resid 37 and name HG2) (resid 37 and name HN) 2.65 0.85 0.85 ! 0.0000 951:10 Intra 2.07, 2.45 A assign (resid 104 and name HG11) (resid 104 and name HN) 2.65 0.85 0.85 ! 0.9902 952:10 Intra 2.17, 2.32 A assign (resid 91 and name HG12) (resid 102 and name HN) 2.65 0.85 0.85 ! 0.4949 953:10 Ambig 3.70, 4.00 A or (resid 102 and name HG12) (resid 102 and name HN) ! 0.3698 953:10 ----- 3.88, 4.01 A or (resid 107 and name HB2) (resid 102 and name HN) ! 0.0640 953:10 ----- 5.20, 5.58 A or (resid 83 and name HB2) (resid 102 and name HN) ! 0.0608 953:10 ----- 5.25, 5.45 A assign (resid 104 and name HG11) (resid 105 and name HN) 3.15 1.35 1.35 ! 0.5754 954:10 Ambig 4.37, 4.52 A or (resid 12 and name HD1) (resid 105 and name HN) ! 0.3345 954:10 ----- 4.78, 6.37 A or (resid 12 and name HB2) (resid 105 and name HN) ! 0.0468 954:10 ----- 6.64, 7.16 A assign (resid 91 and name HG12) (resid 91 and name HN) 2.65 0.85 0.85 ! 0.8835 955:10 Ambig 3.38, 3.45 A or (resid 88 and name HG2) (resid 91 and name HN) ! 0.0530 955:10 ----- 5.40, 6.35 A or (resid 88 and name HG1) (resid 91 and name HN) ! 0.0490 955:10 ----- 5.47, 6.10 A assign (resid 27 and name HG11) (resid 27 and name HN) 3.65 1.85 1.85 ! 0.9125 956:10 Ambig 4.45, 4.61 A or (resid 53 and name HG*) (resid 27 and name HN) ! 0.0875 956:10 ----- 6.58, 7.08 A assign (resid 30 and name HB1) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.8956 957:10 Ambig 3.58, 3.61 A or (resid 27 and name HG11) (resid 30 and name HN) ! 0.0647 957:10 ----- 5.55, 6.67 A assign (resid 107 and name HB2) (resid 106 and name HN) 3.15 1.35 1.35 ! 0.5723 958:10 Ambig 4.48, 4.63 A or (resid 109 and name HB*) (resid 106 and name HN) ! 0.3000 958:10 ----- 4.99, 5.80 A or (resid 102 and name HG12) (resid 106 and name HN) ! 0.1277 958:10 ----- 5.75, 6.20 A assign (resid 84 and name HG11) (resid 84 and name HN) 2.65 0.85 0.85 ! 0.9795 959:10 Intra 2.33, 2.45 A assign (resid 9 and name HB*) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.7629 960:10 Ambig 3.74, 4.85 A or (resid 84 and name HG11) (resid 85 and name HN) ! 0.1226 960:10 ----- 5.07, 5.14 A or (resid 107 and name HB2) (resid 85 and name HN) ! 0.1144 960:10 ----- 5.13, 5.66 A assign (resid 53 and name HG*) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.6952 961:10 Ambig 4.35, 4.69 A or (resid 54 and name HB*) (resid 53 and name HN) ! 0.3048 961:10 ----- 4.99, 6.08 A assign (resid 54 and name HB*) (resid 54 and name HN) 2.30 0.50 0.50 ! 0.5079 962:10 Ambig 2.41, 3.02 A or (resid 53 and name HG*) (resid 54 and name HN) ! 0.4691 962:10 ----- 2.44, 3.59 A assign (resid 9 and name HB*) (resid 6 and name HN) 3.15 1.35 1.35 ! 0.9530 963:10 Mid 2.80, 3.66 A assign (resid 76 and name HB*) (resid 76 and name HN) 2.30 0.50 0.50 ! 0.9946 964:10 Intra 2.49, 2.89 A assign (resid 76 and name HB*) (resid 75 and name HN) 3.15 1.35 1.35 ! 0.5997 965:10 Ambig 4.81, 5.34 A or (resid 53 and name HG*) (resid 75 and name HN) ! 0.1785 965:10 ----- 5.89, 7.01 A or (resid 79 and name HB1) (resid 78 and name HN) ! 0.1404 965:10 ----- 6.13, 6.28 A or (resid 53 and name HG*) (resid 78 and name HN) ! 0.0814 965:10 ----- 6.71, 7.86 A assign (resid 14 and name HG1) (resid 15 and name HN) 3.15 1.35 1.35 ! 0.0000 966:10 Seq 3.91, 4.27 A assign (resid 76 and name HB*) (resid 77 and name HN) 2.65 0.85 0.85 ! 0.0000 967:10 Seq 2.59, 3.53 A assign (resid 14 and name HG1) (resid 14 and name HN) 2.65 0.85 0.85 ! 0.8031 968:10 Ambig 1.93, 2.18 A or (resid 13 and name HB1) (resid 14 and name HN) ! 0.1960 968:10 ----- 2.44, 3.27 A assign (resid 61 and name HG1) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.0000 969:10 Seq 3.44, 4.48 A assign (resid 84 and name HG11) (resid 5 and name HN) 3.65 1.85 1.85 ! 0.4929 970:10 Ambig 5.24, 5.62 A or (resid 76 and name HB*) (resid 5 and name HN) ! 0.2456 970:10 ----- 5.89, 7.15 A or (resid 9 and name HB*) (resid 5 and name HN) ! 0.2050 970:10 ----- 6.07, 7.06 A or (resid 7 and name HA) (resid 5 and name HN) ! 0.0565 970:10 ----- 7.52, 7.66 A assign (resid 76 and name HB*) (resid 100 and name HN) 3.15 1.35 1.35 ! 0.4659 971:10 Ambig 5.01, 6.35 A or (resid 94 and name HB*) (resid 100 and name HN) ! 0.3231 971:10 ----- 5.33, 6.49 A or (resid 82 and name HB*) (resid 100 and name HN) ! 0.2110 971:10 ----- 5.72, 6.46 A assign (resid 9 and name HB*) (resid 9 and name HN) 2.30 0.50 0.50 ! 0.7954 972:10 Ambig 2.30, 2.98 A or (resid 24 and name HG1) (resid 25 and name HN) ! 0.0937 972:10 ----- 3.29, 3.64 A or (resid 7 and name HA) (resid 9 and name HN) ! 0.0823 972:10 ----- 3.36, 3.63 A assign (resid 82 and name HB*) (resid 83 and name HN) 2.65 0.85 0.85 ! 0.8482 973:10 Ambig 2.81, 4.17 A or (resid 76 and name HB*) (resid 83 and name HN) ! 0.0931 973:10 ----- 4.06, 5.16 A or (resid 84 and name HG11) (resid 83 and name HN) ! 0.0406 973:10 ----- 4.66, 4.79 A assign (resid 21 and name HG*) (resid 21 and name HN) 3.15 1.35 1.35 ! 0.9972 974:10 Intra 1.82, 3.51 A assign (resid 9 and name HB*) (resid 10 and name HN) 2.65 0.85 0.85 ! 0.5190 976:10 Ambig 3.45, 4.18 A or (resid 7 and name HA) (resid 10 and name HN) ! 0.4476 976:10 ----- 3.54, 3.80 A assign (resid 81 and name HB*) (resid 4 and name HN) 2.65 0.85 0.85 ! 0.7389 977:10 Ambig 3.02, 3.90 A or (resid 82 and name HB*) (resid 4 and name HN) ! 0.2573 977:10 ----- 3.61, 4.42 A assign (resid 94 and name HB*) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.0000 978:10 Long 4.08, 5.05 A assign (resid 24 and name HB1) (resid 3 and name HN) 2.65 0.85 0.85 ! 0.4899 979:10 Ambig 3.54, 3.87 A or (resid 81 and name HB*) (resid 3 and name HN) ! 0.2872 979:10 ----- 3.87, 4.94 A or (resid 24 and name HG1) (resid 3 and name HN) ! 0.1163 979:10 ----- 4.50, 4.80 A or (resid 82 and name HB*) (resid 3 and name HN) ! 0.1066 979:10 ----- 4.57, 5.32 A assign (resid 24 and name HG1) (resid 26 and name HN) 3.65 1.85 1.85 ! 0.3549 980:10 Ambig 4.84, 5.30 A or (resid 51 and name HG11) (resid 26 and name HN) ! 0.2991 980:10 ----- 4.99, 5.13 A or (resid 24 and name HB1) (resid 26 and name HN) ! 0.1502 980:10 ----- 5.59, 5.93 A or (resid 81 and name HB*) (resid 26 and name HN) ! 0.1046 980:10 ----- 5.94, 6.71 A or (resid 82 and name HB*) (resid 26 and name HN) ! 0.0482 980:10 ----- 6.76, 7.66 A assign (resid 24 and name HB1) (resid 24 and name HN) 2.30 0.50 0.50 ! 0.8876 981:10 Ambig 2.35, 2.52 A or (resid 40 and name HG12) (resid 40 and name HN) ! 0.0820 981:10 ----- 3.50, 3.70 A assign (resid 94 and name HB*) (resid 94 and name HN) 2.30 0.50 0.50 ! 0.0000 982:10 Intra 2.45, 2.87 A assign (resid 81 and name HB*) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.0000 983:10 Seq 4.08, 4.87 A assign (resid 17 and name HB1) (resid 17 and name HN) 2.65 0.85 0.85 ! 0.0000 984:10 Intra 2.29, 2.47 A assign (resid 51 and name HG11) (resid 27 and name HN) 3.65 1.85 1.85 ! 0.9432 985:10 Ambig 3.50, 3.73 A or (resid 24 and name HG1) (resid 27 and name HN) ! 0.0238 985:10 ----- 6.45, 6.97 A assign (resid 51 and name HG11) (resid 52 and name HN) 3.15 1.35 1.35 ! 0.9565 986:10 Seq 3.67, 3.94 A assign (resid 93 and name HG1) (resid 96 and name HN) 4.15 2.35 2.35 ! 0.3450 987:10 Ambig 5.22, 6.67 A or (resid 93 and name HG1) (resid 90 and name HN) ! 0.3307 987:10 ----- 5.25, 6.76 A or (resid 101 and name HB*) (resid 96 and name HN) ! 0.1920 987:10 ----- 5.75, 6.72 A or (resid 94 and name HB*) (resid 90 and name HN) ! 0.0667 987:10 ----- 6.86, 7.68 A or (resid 101 and name HB*) (resid 90 and name HN) ! 0.0656 987:10 ----- 6.88, 7.76 A assign (resid 29 and name HG2*) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.0000 988:10 Seq 4.47, 4.98 A assign (resid 12 and name HG2) (resid 13 and name HN) 3.65 1.85 1.85 ! 0.0000 989:10 Seq 4.26, 5.02 A assign (resid 81 and name HB*) (resid 81 and name HN) 2.30 0.50 0.50 ! 0.0000 991:10 Intra 2.43, 3.00 A assign (resid 45 and name HB*) (resid 46 and name HN) 2.65 0.85 0.85 ! 0.9931 992:10 Seq 2.30, 3.21 A assign (resid 94 and name HB*) (resid 95 and name HN) 2.65 0.85 0.85 ! 0.9541 993:10 Seq 2.48, 3.46 A assign (resid 29 and name HG2*) (resid 29 and name HN) 3.15 1.35 1.35 ! 0.9952 994:10 Intra 2.49, 3.53 A assign (resid 101 and name HB*) (resid 101 and name HN) 2.30 0.50 0.50 ! 0.0000 995:10 Intra 2.39, 2.99 A assign (resid 42 and name HG12) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.0000 996:10 Seq 4.90, 5.15 A assign (resid 45 and name HB*) (resid 45 and name HN) 2.30 0.50 0.50 ! 0.9933 997:10 Intra 2.43, 2.89 A assign (resid 45 and name HB*) (resid 50 and name HN) 3.15 1.35 1.35 ! 0.9655 998:10 Long 4.13, 5.12 A assign (resid 14 and name HG2) (resid 15 and name HN) 3.65 1.85 1.85 ! 0.6269 999:10 Ambig 4.81, 5.03 A or (resid 12 and name HG2) (resid 15 and name HN) ! 0.3731 999:10 ----- 5.25, 5.67 A assign (resid 93 and name HG1) (resid 93 and name HN) 3.15 1.35 1.35 ! 0.9530 1000:10 Intra 3.55, 4.21 A assign (resid 101 and name HB*) (resid 102 and name HN) 2.65 0.85 0.85 ! 0.0000 1001:10 Seq 3.07, 3.83 A assign (resid 101 and name HB*) (resid 91 and name HN) 3.65 1.85 1.85 ! 0.0000 1002:10 Long 4.56, 5.33 A assign (resid 45 and name HB*) (resid 48 and name HN) 3.65 1.85 1.85 ! 0.0000 1003:10 Mid 5.18, 5.51 A assign (resid 14 and name HG2) (resid 14 and name HN) 3.15 1.35 1.35 ! 0.9006 1004:10 Ambig 3.14, 3.42 A or (resid 45 and name HB*) (resid 14 and name HN) ! 0.0767 1004:10 ----- 4.74, 6.97 A assign (resid 101 and name HB*) (resid 92 and name HN) 3.65 1.85 1.85 ! 0.7387 1005:10 Ambig 5.02, 5.82 A or (resid 93 and name HG1) (resid 92 and name HN) ! 0.2613 1005:10 ----- 5.96, 6.82 A assign (resid 42 and name HG11) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.5850 1006:10 Ambig 4.43, 4.48 A or (resid 42 and name HG12) (resid 42 and name HN) ! 0.4150 1006:10 ----- 4.69, 4.82 A assign (resid 36 and name HG11) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.0000 1007:10 Seq 4.73, 4.88 A assign (resid 27 and name HG2*) (resid 27 and name HN) 2.65 0.85 0.85 ! 0.9829 1008:10 Intra 2.14, 3.12 A assign (resid 28 and name HG2*) (resid 72 and name HN) 2.65 0.85 0.85 ! 0.9902 1009:10 Long 2.96, 4.26 A assign (resid 85 and name HB*) (resid 85 and name HN) 2.30 0.50 0.50 ! 0.8542 1010:10 Ambig 2.76, 3.34 A or (resid 83 and name HG) (resid 85 and name HN) ! 0.0956 1010:10 ----- 3.98, 4.19 A or (resid 84 and name HG12) (resid 85 and name HN) ! 0.0431 1010:10 ----- 4.54, 4.66 A assign (resid 36 and name HG11) (resid 35 and name HN) 4.15 2.35 2.35 ! 0.0000 1011:10 Seq 5.72, 5.94 A assign (resid 27 and name HG2*) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.4170 1012:10 Ambig 3.87, 4.77 A or (resid 28 and name HG2*) (resid 53 and name HN) ! 0.3682 1012:10 ----- 3.95, 5.15 A or (resid 75 and name HG2*) (resid 53 and name HN) ! 0.1558 1012:10 ----- 4.56, 5.97 A or (resid 27 and name HG12) (resid 53 and name HN) ! 0.0591 1012:10 ----- 5.36, 6.47 A assign (resid 83 and name HG) (resid 83 and name HN) 3.15 1.35 1.35 ! 0.6637 1013:10 Ambig 4.44, 4.48 A or (resid 84 and name HG12) (resid 83 and name HN) ! 0.2722 1013:10 ----- 5.15, 5.35 A or (resid 85 and name HB*) (resid 83 and name HN) ! 0.0641 1013:10 ----- 6.56, 7.50 A assign (resid 85 and name HB*) (resid 6 and name HN) 3.15 1.35 1.35 ! 0.6011 1014:10 Ambig 3.54, 4.86 A or (resid 83 and name HG) (resid 6 and name HN) ! 0.3106 1014:10 ----- 3.95, 4.27 A or (resid 27 and name HG12) (resid 6 and name HN) ! 0.0395 1014:10 ----- 5.57, 7.39 A assign (resid 75 and name HG2*) (resid 76 and name HN) 3.15 1.35 1.35 ! 0.7213 1016:10 Ambig 4.22, 4.84 A or (resid 28 and name HG2*) (resid 76 and name HN) ! 0.2329 1016:10 ----- 5.09, 5.53 A assign (resid 75 and name HG2*) (resid 75 and name HN) 2.30 0.50 0.50 ! 0.9664 1017:10 Intra 2.24, 3.22 A assign (resid 85 and name HB*) (resid 87 and name HN) 3.65 1.85 1.85 ! 0.9962 1023:10 Mid 2.45, 3.71 A assign (resid 28 and name HG2*) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.7457 1024:10 Ambig 4.87, 6.22 A or (resid 75 and name HG2*) (resid 71 and name HN) ! 0.2043 1024:10 ----- 6.04, 7.19 A assign (resid 28 and name HG2*) (resid 29 and name HN) 3.15 1.35 1.35 ! 0.6864 1025:10 Ambig 3.60, 4.35 A or (resid 75 and name HG2*) (resid 29 and name HN) ! 0.1902 1025:10 ----- 4.46, 5.60 A or (resid 27 and name HG2*) (resid 29 and name HN) ! 0.0631 1025:10 ----- 5.36, 6.71 A or (resid 27 and name HG12) (resid 29 and name HN) ! 0.0602 1025:10 ----- 5.40, 6.94 A assign (resid 7 and name HB2) (resid 69 and name HN) 3.65 1.85 1.85 ! 0.5434 1027:10 Ambig 4.80, 5.11 A or (resid 65 and name HB2) (resid 69 and name HN) ! 0.2966 1027:10 ----- 5.31, 5.83 A or (resid 7 and name HB1) (resid 69 and name HN) ! 0.1600 1027:10 ----- 5.89, 6.25 A assign (resid 75 and name HG2*) (resid 55 and name HN) 3.15 1.35 1.35 ! 0.0000 1028:10 Long 2.81, 3.90 A assign (resid 65 and name HB2) (resid 65 and name HN) 2.65 0.85 0.85 ! 0.0000 1029:10 Intra 2.32, 2.47 A assign (resid 107 and name HD2*) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.3534 1030:10 Ambig 4.59, 5.07 A or (resid 107 and name HD1*) (resid 107 and name HN) ! 0.3255 1030:10 ----- 4.65, 5.19 A or (resid 104 and name HG12) (resid 107 and name HN) ! 0.1614 1030:10 ----- 5.23, 5.58 A or (resid 84 and name HG12) (resid 107 and name HN) ! 0.1596 1030:10 ----- 5.24, 5.68 A assign (resid 107 and name HD2*) (resid 23 and name HN) 4.15 2.35 2.35 ! 0.5194 1031:10 Ambig 5.92, 7.43 A or (resid 107 and name HD1*) (resid 23 and name HN) ! 0.4806 1031:10 ----- 6.00, 7.70 A assign (resid 5 and name HG2*) (resid 9 and name HN) 2.65 0.85 0.85 ! 0.4298 1032:10 Ambig 3.79, 4.58 A or (resid 50 and name HG2*) (resid 25 and name HN) ! 0.3175 1032:10 ----- 3.98, 5.27 A or (resid 104 and name HD1*) (resid 9 and name HN) ! 0.1478 1032:10 ----- 4.52, 5.86 A or (resid 51 and name HG2*) (resid 25 and name HN) ! 0.0537 1032:10 ----- 5.36, 6.68 A or (resid 51 and name HD1*) (resid 25 and name HN) ! 0.0302 1032:10 ----- 5.89, 6.64 A assign (resid 5 and name HG2*) (resid 6 and name HN) 2.65 0.85 0.85 ! 0.9752 1033:10 Seq 2.83, 3.64 A assign (resid 30 and name HD2*) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.0000 1034:10 Intra 3.21, 4.26 A assign (resid 4 and name HG2*) (resid 5 and name HN) 2.65 0.85 0.85 ! 0.4983 1035:10 Ambig 4.30, 4.94 A or (resid 5 and name HG2*) (resid 5 and name HN) ! 0.4600 1035:10 ----- 4.36, 4.56 A assign (resid 112 and name HD1*) (resid 113 and name HN) 3.65 1.85 1.85 ! 0.6061 1036:10 Ambig 3.53, 6.07 A or (resid 112 and name HD2*) (resid 113 and name HN) ! 0.3939 1036:10 ----- 3.79, 5.38 A assign (resid 112 and name HD2*) (resid 112 and name HN) 3.65 1.85 1.85 ! 0.7661 1037:10 Ambig 1.86, 4.35 A or (resid 112 and name HD1*) (resid 112 and name HN) ! 0.2339 1037:10 ----- 2.27, 4.68 A assign (resid 51 and name HG2*) (resid 51 and name HN) 2.65 0.85 0.85 ! 0.8919 1038:10 Ambig 2.66, 3.64 A or (resid 50 and name HG2*) (resid 51 and name HN) ! 0.0545 1038:10 ----- 4.24, 4.96 A or (resid 51 and name HD1*) (resid 51 and name HN) ! 0.0536 1038:10 ----- 4.25, 4.54 A assign (resid 90 and name HG2*) (resid 69 and name HN) 3.65 1.85 1.85 ! 0.0000 1039:10 Long 5.37, 6.25 A assign (resid 104 and name HG2*) (resid 16 and name HN) 3.65 1.85 1.85 ! 0.5284 1040:10 Ambig 3.89, 4.83 A or (resid 104 and name HD1*) (resid 16 and name HN) ! 0.4561 1040:10 ----- 3.98, 5.73 A assign (resid 50 and name HG2*) (resid 50 and name HN) 2.30 0.50 0.50 ! 0.9912 1041:10 Intra 2.20, 3.24 A assign (resid 90 and name HG2*) (resid 90 and name HN) 2.30 0.50 0.50 ! 0.0000 1042:10 Intra 2.03, 3.05 A assign (resid 36 and name HG2*) (resid 37 and name HN) 2.65 0.85 0.85 ! 0.0000 1043:10 Seq 3.20, 4.12 A assign (resid 104 and name HD1*) (resid 104 and name HN) 2.65 0.85 0.85 ! 0.6263 1044:10 Ambig 3.88, 4.52 A or (resid 104 and name HG2*) (resid 104 and name HN) ! 0.3605 1044:10 ----- 4.25, 4.50 A assign (resid 104 and name HD1*) (resid 13 and name HN) 3.65 1.85 1.85 ! 0.7063 1045:10 Ambig 4.05, 5.27 A or (resid 5 and name HG2*) (resid 13 and name HN) ! 0.1824 1045:10 ----- 5.07, 6.34 A or (resid 104 and name HG2*) (resid 13 and name HN) ! 0.1113 1045:10 ----- 5.50, 6.98 A assign (resid 104 and name HD1*) (resid 12 and name HN) 3.15 1.35 1.35 ! 0.8411 1046:10 Ambig 3.61, 4.25 A or (resid 104 and name HG2*) (resid 12 and name HN) ! 0.1226 1046:10 ----- 4.97, 6.44 A assign (resid 90 and name HG2*) (resid 87 and name HN) 3.65 1.85 1.85 ! 0.9730 1047:10 Mid 3.66, 4.85 A assign (resid 83 and name HB1) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.5401 1049:10 Ambig 3.89, 4.14 A or (resid 102 and name HG2*) (resid 101 and name HN) ! 0.4599 1049:10 ----- 4.00, 5.25 A assign (resid 83 and name HB1) (resid 100 and name HN) 3.65 1.85 1.85 ! 0.7970 1050:10 Ambig 5.03, 5.25 A or (resid 102 and name HG2*) (resid 100 and name HN) ! 0.2030 1050:10 ----- 6.31, 7.75 A assign (resid 40 and name HD1*) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.8083 1052:10 Ambig 4.04, 4.66 A or (resid 26 and name HG2*) (resid 24 and name HN) ! 0.1917 1052:10 ----- 5.13, 6.12 A assign (resid 4 and name HG2*) (resid 80 and name HN) 4.15 2.35 2.35 ! 0.0000 1055:10 Long 5.75, 6.59 A assign (resid 36 and name HD1*) (resid 36 and name HN) 2.65 0.85 0.85 ! 0.0000 1056:10 Intra 3.28, 4.11 A assign (resid 104 and name HG2*) (resid 105 and name HN) 2.65 0.85 0.85 ! 0.8154 1057:10 Ambig 3.19, 4.16 A or (resid 108 and name HD1*) (resid 105 and name HN) ! 0.1409 1057:10 ----- 4.27, 5.53 A assign (resid 104 and name HD1*) (resid 10 and name HN) 3.65 1.85 1.85 ! 0.0000 1058:10 Long 4.48, 5.69 A assign (resid 3 and name HB*) (resid 3 and name HN) 2.30 0.50 0.50 ! 0.6376 1059:10 Ambig 2.57, 3.21 A or (resid 26 and name HG2*) (resid 3 and name HN) ! 0.3541 1059:10 ----- 2.84, 3.97 A assign (resid 26 and name HG2*) (resid 26 and name HN) 2.65 0.85 0.85 ! 0.7987 1060:10 Ambig 2.53, 3.58 A or (resid 50 and name HG1*) (resid 26 and name HN) ! 0.1178 1060:10 ----- 3.49, 4.63 A or (resid 3 and name HB*) (resid 26 and name HN) ! 0.0723 1060:10 ----- 3.78, 4.73 A assign (resid 30 and name HD1*) (resid 30 and name HN) 3.15 1.35 1.35 ! 0.7952 1061:10 Ambig 3.92, 4.58 A or (resid 52 and name HG2*) (resid 30 and name HN) ! 0.1162 1061:10 ----- 5.40, 7.18 A or (resid 52 and name HG1*) (resid 30 and name HN) ! 0.0886 1061:10 ----- 5.65, 7.99 A assign (resid 3 and name HB*) (resid 82 and name HN) 3.15 1.35 1.35 ! 0.8777 1062:10 Ambig 3.85, 4.78 A or (resid 84 and name HD1*) (resid 82 and name HN) ! 0.0443 1062:10 ----- 6.33, 7.49 A or (resid 83 and name HB1) (resid 82 and name HN) ! 0.0406 1062:10 ----- 6.42, 6.52 A assign (resid 46 and name HD1*) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.9311 1063:10 Ambig 4.68, 5.41 A or (resid 50 and name HG1*) (resid 47 and name HN) ! 0.0689 1063:10 ----- 7.22, 7.73 A assign (resid 4 and name HG2*) (resid 81 and name HN) 4.15 2.35 2.35 ! 0.9105 1064:10 Ambig 4.50, 5.32 A or (resid 83 and name HB1) (resid 81 and name HN) ! 0.0895 1064:10 ----- 6.63, 7.05 A assign (resid 102 and name HG2*) (resid 102 and name HN) 2.65 0.85 0.85 ! 0.4116 1065:10 Ambig 3.44, 4.29 A or (resid 91 and name HG2*) (resid 102 and name HN) ! 0.3207 1065:10 ----- 3.59, 5.13 A or (resid 83 and name HB1) (resid 102 and name HN) ! 0.2590 1065:10 ----- 3.72, 3.89 A assign (resid 3 and name HB*) (resid 23 and name HN) 3.65 1.85 1.85 ! 0.8356 1066:10 Ambig 5.17, 5.81 A or (resid 84 and name HD1*) (resid 23 and name HN) ! 0.1644 1066:10 ----- 6.78, 7.85 A assign (resid 84 and name HG2*) (resid 85 and name HN) 2.65 0.85 0.85 ! 0.6876 1067:10 Ambig 3.07, 3.81 A or (resid 102 and name HD1*) (resid 85 and name HN) ! 0.2756 1067:10 ----- 3.58, 4.93 A assign (resid 52 and name HG2*) (resid 53 and name HN) 2.30 0.50 0.50 ! 0.5837 1068:10 Ambig 2.57, 4.06 A or (resid 52 and name HG1*) (resid 53 and name HN) ! 0.3813 1068:10 ----- 2.76, 4.36 A assign (resid 42 and name HG2*) (resid 42 and name HN) 2.65 0.85 0.85 ! 0.0000 1069:10 Intra 1.95, 2.96 A assign (resid 3 and name HB*) (resid 25 and name HN) 3.15 1.35 1.35 ! 0.3982 1070:10 Ambig 4.33, 5.45 A or (resid 50 and name HG1*) (resid 25 and name HN) ! 0.2931 1070:10 ----- 4.56, 5.92 A or (resid 84 and name HG2*) (resid 9 and name HN) ! 0.1323 1070:10 ----- 5.21, 6.66 A or (resid 90 and name HG1*) (resid 9 and name HN) ! 0.0720 1070:10 ----- 5.76, 7.27 A or (resid 16 and name HD1*) (resid 9 and name HN) ! 0.0718 1070:10 ----- 5.77, 7.14 A assign (resid 42 and name HG2*) (resid 43 and name HN) 2.30 0.50 0.50 ! 0.0000 1071:10 Seq 2.37, 3.28 A assign (resid 50 and name HG1*) (resid 51 and name HN) 2.30 0.50 0.50 ! 0.8363 1072:10 Ambig 2.83, 3.50 A or (resid 26 and name HG2*) (resid 51 and name HN) ! 0.1424 1072:10 ----- 3.80, 4.83 A assign (resid 52 and name HG1*) (resid 52 and name HN) 2.30 0.50 0.50 ! 0.6624 1073:10 Ambig 2.04, 3.61 A or (resid 52 and name HG2*) (resid 52 and name HN) ! 0.3309 1073:10 ----- 2.29, 4.11 A assign (resid 75 and name HG1*) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.7229 1074:10 Ambig 5.01, 6.45 A or (resid 30 and name HD1*) (resid 55 and name HN) ! 0.2771 1074:10 ----- 5.88, 7.36 A assign (resid 108 and name HD1*) (resid 109 and name HN) 3.15 1.35 1.35 ! 0.4831 1075:10 Ambig 4.86, 5.71 A or (resid 108 and name HD2*) (resid 109 and name HN) ! 0.3477 1075:10 ----- 5.14, 5.77 A or (resid 102 and name HD1*) (resid 109 and name HN) ! 0.1693 1075:10 ----- 5.79, 7.06 A assign (resid 102 and name HD1*) (resid 107 and name HN) 2.30 0.50 0.50 ! 0.9587 1076:10 Long 2.45, 3.64 A assign (resid 102 and name HD1*) (resid 106 and name HN) 3.15 1.35 1.35 ! 0.7502 1077:10 Ambig 3.85, 5.28 A or (resid 108 and name HD1*) (resid 106 and name HN) ! 0.1010 1077:10 ----- 5.37, 6.64 A or (resid 84 and name HG2*) (resid 106 and name HN) ! 0.0694 1077:10 ----- 5.72, 7.01 A or (resid 102 and name HG2*) (resid 106 and name HN) ! 0.0585 1077:10 ----- 5.88, 6.82 A assign (resid 90 and name HG1*) (resid 91 and name HN) 2.65 0.85 0.85 ! 0.8302 1078:10 Ambig 3.35, 4.20 A or (resid 91 and name HG2*) (resid 91 and name HN) ! 0.1698 1078:10 ----- 4.36, 4.52 A assign (resid 83 and name HD1*) (resid 84 and name HN) 2.30 0.50 0.50 ! 0.9253 1079:10 Ambig 2.38, 3.59 A or (resid 84 and name HG2*) (resid 84 and name HN) ! 0.0249 1079:10 ----- 4.36, 4.59 A assign (resid 5 and name HG11) (resid 5 and name HN) 2.30 0.50 0.50 ! 0.7687 1080:10 Ambig 2.19, 2.77 A or (resid 4 and name HG1*) (resid 5 and name HN) ! 0.2045 1080:10 ----- 2.73, 3.41 A assign (resid 26 and name HG1*) (resid 27 and name HN) 2.30 0.50 0.50 ! 0.6352 1081:10 Ambig 2.63, 3.32 A or (resid 50 and name HG1*) (resid 27 and name HN) ! 0.3221 1081:10 ----- 2.94, 3.64 A assign (resid 83 and name HD1*) (resid 6 and name HN) 2.65 0.85 0.85 ! 0.5716 1082:10 Ambig 3.44, 4.33 A or (resid 84 and name HG2*) (resid 6 and name HN) ! 0.1513 1082:10 ----- 4.29, 5.27 A or (resid 4 and name HG1*) (resid 6 and name HN) ! 0.1380 1082:10 ----- 4.36, 5.61 A or (resid 5 and name HG11) (resid 6 and name HN) ! 0.0600 1082:10 ----- 5.01, 5.21 A or (resid 90 and name HG1*) (resid 6 and name HN) ! 0.0415 1082:10 ----- 5.32, 6.37 A assign (resid 4 and name HG1*) (resid 75 and name HN) 2.65 0.85 0.85 ! 0.3435 1083:10 Ambig 4.21, 5.35 A or (resid 75 and name HG1*) (resid 75 and name HN) ! 0.2923 1083:10 ----- 4.32, 4.55 A or (resid 75 and name HG1*) (resid 78 and name HN) ! 0.1125 1083:10 ----- 5.07, 5.71 A or (resid 99 and name HG2*) (resid 78 and name HN) ! 0.0792 1083:10 ----- 5.37, 5.93 A or (resid 83 and name HD1*) (resid 75 and name HN) ! 0.0649 1083:10 ----- 5.55, 6.52 A or (resid 99 and name HG1*) (resid 78 and name HN) ! 0.0332 1083:10 ----- 6.21, 7.13 A or (resid 73 and name HG2*) (resid 78 and name HN) ! 0.0321 1083:10 ----- 6.25, 7.29 A assign (resid 108 and name HD2*) (resid 15 and name HN) 3.65 1.85 1.85 ! 0.7148 1084:10 Ambig 4.85, 6.35 A or (resid 16 and name HD1*) (resid 15 and name HN) ! 0.2852 1084:10 ----- 5.65, 6.24 A assign (resid 65 and name HD2*) (resid 90 and name HN) 2.65 0.85 0.85 ! 0.9406 1085:10 Ambig 2.39, 3.94 A or (resid 90 and name HG1*) (resid 90 and name HN) ! 0.0228 1085:10 ----- 4.44, 4.58 A assign (resid 65 and name HD2*) (resid 89 and name HN) 3.15 1.35 1.35 ! 0.9817 1086:10 Long 3.35, 5.05 A assign (resid 16 and name HD1*) (resid 13 and name HN) 3.15 1.35 1.35 ! 0.0000 1087:10 Mid 4.63, 5.55 A assign (resid 108 and name HD2*) (resid 16 and name HN) 3.15 1.35 1.35 ! 0.7225 1088:10 Ambig 3.31, 4.64 A or (resid 16 and name HD1*) (resid 16 and name HN) ! 0.2775 1088:10 ----- 3.88, 4.41 A assign (resid 16 and name HD1*) (resid 12 and name HN) 3.65 1.85 1.85 ! 0.8220 1089:10 Ambig 5.44, 6.39 A or (resid 84 and name HG2*) (resid 12 and name HN) ! 0.1780 1089:10 ----- 7.02, 7.99 A assign (resid 62 and name HG2*) (resid 62 and name HN) 2.65 0.85 0.85 ! 0.8822 1090:10 Ambig 1.86, 3.12 A or (resid 62 and name HG1*) (resid 62 and name HN) ! 0.1178 1090:10 ----- 2.60, 4.09 A assign (resid 83 and name HD1*) (resid 4 and name HN) 2.65 0.85 0.85 ! 0.5111 1091:10 Ambig 3.67, 4.69 A or (resid 4 and name HG1*) (resid 4 and name HN) ! 0.1708 1091:10 ----- 4.41, 4.61 A or (resid 82 and name HD1*) (resid 4 and name HN) ! 0.1313 1091:10 ----- 4.61, 5.67 A or (resid 5 and name HG11) (resid 4 and name HN) ! 0.0876 1091:10 ----- 4.93, 5.70 A or (resid 75 and name HG1*) (resid 4 and name HN) ! 0.0300 1091:10 ----- 5.89, 7.16 A or (resid 99 and name HG1*) (resid 4 and name HN) ! 0.0264 1091:10 ----- 6.02, 6.49 A assign (resid 82 and name HD1*) (resid 83 and name HN) 2.30 0.50 0.50 ! 0.8201 1092:10 Ambig 2.10, 3.86 A or (resid 82 and name HD2*) (resid 83 and name HN) ! 0.0931 1092:10 ----- 3.02, 4.30 A or (resid 99 and name HG1*) (resid 83 and name HN) ! 0.0749 1092:10 ----- 3.13, 3.99 A assign (resid 65 and name HD2*) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.2442 1093:10 Ambig 5.60, 7.09 A or (resid 65 and name HD1*) (resid 69 and name HN) ! 0.2253 1093:10 ----- 5.67, 7.01 A or (resid 90 and name HG1*) (resid 69 and name HN) ! 0.1978 1093:10 ----- 5.80, 6.84 A or (resid 62 and name HG2*) (resid 69 and name HN) ! 0.1678 1093:10 ----- 5.96, 7.44 A or (resid 73 and name HD1*) (resid 69 and name HN) ! 0.1650 1093:10 ----- 5.97, 7.06 A assign (resid 99 and name HG2*) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.9688 1094:10 Intra 2.29, 3.32 A assign (resid 5 and name HG11) (resid 26 and name HN) 2.65 0.85 0.85 ! 0.7693 1095:10 Ambig 3.15, 3.79 A or (resid 26 and name HG1*) (resid 26 and name HN) ! 0.1113 1095:10 ----- 4.35, 4.65 A or (resid 4 and name HG1*) (resid 26 and name HN) ! 0.0932 1095:10 ----- 4.48, 5.43 A assign (resid 4 and name HG1*) (resid 76 and name HN) 2.30 0.50 0.50 ! 0.5336 1096:10 Ambig 3.00, 4.21 A or (resid 75 and name HG1*) (resid 76 and name HN) ! 0.2496 1096:10 ----- 3.41, 4.31 A or (resid 83 and name HD1*) (resid 76 and name HN) ! 0.1510 1096:10 ----- 3.70, 4.82 A or (resid 99 and name HG1*) (resid 76 and name HN) ! 0.0313 1096:10 ----- 4.81, 5.82 A assign (resid 73 and name HD1*) (resid 94 and name HN) 2.65 0.85 0.85 ! 0.7847 1097:10 Ambig 2.84, 4.03 A or (resid 65 and name HD1*) (resid 94 and name HN) ! 0.0581 1097:10 ----- 4.39, 5.52 A or (resid 97 and name HD1*) (resid 94 and name HN) ! 0.0575 1097:10 ----- 4.39, 5.85 A or (resid 90 and name HG1*) (resid 94 and name HN) ! 0.0535 1097:10 ----- 4.45, 5.33 A assign (resid 65 and name HD2*) (resid 65 and name HN) 2.65 0.85 0.85 ! 0.6859 1098:10 Ambig 3.52, 4.53 A or (resid 65 and name HD1*) (resid 65 and name HN) ! 0.3141 1098:10 ----- 4.01, 4.72 A assign (resid 4 and name HG1*) (resid 72 and name HN) 3.15 1.35 1.35 ! 0.2973 1099:10 Ambig 5.30, 5.90 A or (resid 83 and name HD1*) (resid 72 and name HN) ! 0.2851 1099:10 ----- 5.34, 6.25 A or (resid 90 and name HG1*) (resid 72 and name HN) ! 0.1954 1099:10 ----- 5.69, 6.86 A or (resid 73 and name HD1*) (resid 72 and name HN) ! 0.1723 1099:10 ----- 5.81, 6.58 A assign (resid 65 and name HD1*) (resid 93 and name HN) 2.65 0.85 0.85 ! 0.5539 1100:10 Ambig 3.67, 4.89 A or (resid 73 and name HD1*) (resid 93 and name HN) ! 0.1807 1100:10 ----- 4.42, 5.27 A or (resid 65 and name HD2*) (resid 93 and name HN) ! 0.1751 1100:10 ----- 4.44, 6.37 A or (resid 90 and name HG1*) (resid 93 and name HN) ! 0.0565 1100:10 ----- 5.37, 6.14 A assign (resid 99 and name HG2*) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.7345 1101:10 Ambig 3.31, 4.26 A or (resid 99 and name HG1*) (resid 77 and name HN) ! 0.2305 1101:10 ----- 4.02, 5.07 A assign (resid 90 and name HG1*) (resid 87 and name HN) 4.15 2.35 2.35 ! 0.8712 1102:10 Ambig 4.42, 5.37 A or (resid 65 and name HD2*) (resid 87 and name HN) ! 0.1288 1102:10 ----- 6.08, 7.69 A assign (resid 82 and name HD2*) (resid 82 and name HN) 3.15 1.35 1.35 ! 0.6622 1103:10 Ambig 3.59, 4.91 A or (resid 82 and name HD1*) (resid 82 and name HN) ! 0.2317 1103:10 ----- 4.27, 5.11 A or (resid 99 and name HG1*) (resid 82 and name HN) ! 0.0784 1103:10 ----- 5.12, 5.93 A assign (resid 97 and name HD2*) (resid 97 and name HN) 2.65 0.85 0.85 ! 0.7009 1104:10 Ambig 3.34, 4.26 A or (resid 97 and name HD1*) (resid 97 and name HN) ! 0.2656 1104:10 ----- 3.93, 4.58 A assign (resid 91 and name HD1*) (resid 91 and name HN) 2.65 0.85 0.85 ! 0.6432 1105:10 Ambig 3.72, 4.33 A or (resid 65 and name HD1*) (resid 91 and name HN) ! 0.1305 1105:10 ----- 4.85, 6.18 A or (resid 73 and name HD1*) (resid 91 and name HN) ! 0.1047 1105:10 ----- 5.03, 6.27 A or (resid 83 and name HD2*) (resid 91 and name HN) ! 0.1020 1105:10 ----- 5.05, 6.13 A assign (resid 16 and name HG11) (resid 17 and name HN) 2.65 0.85 0.85 ! 0.9565 1106:10 Seq 2.10, 2.24 A assign (resid 17 and name HD2*) (resid 48 and name HN) 3.15 1.35 1.35 ! 0.9691 1107:10 Long 3.38, 4.59 A assign (resid 91 and name HD1*) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.5307 1108:10 Ambig 4.72, 5.48 A or (resid 65 and name HD1*) (resid 92 and name HN) ! 0.2548 1108:10 ----- 5.34, 6.62 A or (resid 73 and name HD1*) (resid 92 and name HN) ! 0.1231 1108:10 ----- 6.03, 6.99 A or (resid 83 and name HD2*) (resid 92 and name HN) ! 0.0913 1108:10 ----- 6.33, 7.46 A assign (resid 40 and name HG2*) (resid 41 and name HN) 3.15 1.35 1.35 ! 0.0000 1109:10 Seq 2.10, 3.08 A assign (resid 13 and name HD1*) (resid 15 and name HN) 3.15 1.35 1.35 ! 0.3013 1110:10 Ambig 4.74, 7.23 A or (resid 13 and name HD2*) (resid 15 and name HN) ! 0.3001 1110:10 ----- 4.74, 7.09 A or (resid 16 and name HG11) (resid 15 and name HN) ! 0.2654 1110:10 ----- 4.84, 5.10 A or (resid 17 and name HD2*) (resid 15 and name HN) ! 0.1332 1110:10 ----- 5.43, 7.38 A assign (resid 13 and name HD1*) (resid 12 and name HN) 3.65 1.85 1.85 ! 0.8093 1111:10 Ambig 2.79, 5.75 A or (resid 13 and name HD2*) (resid 12 and name HN) ! 0.1907 1111:10 ----- 3.55, 5.95 A assign (resid 13 and name HD2*) (resid 10 and name HN) 3.15 1.35 1.35 ! 0.5291 1112:10 Ambig 4.26, 6.46 A or (resid 13 and name HD1*) (resid 10 and name HN) ! 0.4709 1112:10 ----- 4.35, 6.21 A assign (resid 42 and name HD1*) (resid 42 and name HN) 3.15 1.35 1.35 ! 0.4338 1113:10 Ambig 4.68, 5.30 A or (resid 13 and name HD1*) (resid 42 and name HN) ! 0.2872 1113:10 ----- 5.01, 7.02 A or (resid 13 and name HD2*) (resid 42 and name HN) ! 0.2790 1113:10 ----- 5.04, 7.41 A assign (resid 42 and name HD1*) (resid 43 and name HN) 3.65 1.85 1.85 ! 0.0000 1114:10 Seq 4.87, 5.73 A assign (resid 27 and name HD1*) (resid 32 and name HN) 3.15 1.35 1.35 ! 0.9661 1115:10 Long 2.64, 4.45 A assign (resid 42 and name HD1*) (resid 45 and name HN) 3.15 1.35 1.35 ! 0.4530 1116:10 Ambig 3.99, 5.26 A or (resid 13 and name HD2*) (resid 45 and name HN) ! 0.3215 1116:10 ----- 4.22, 6.23 A or (resid 13 and name HD1*) (resid 45 and name HN) ! 0.2256 1116:10 ----- 4.48, 6.17 A assign (resid 13 and name HD1*) (resid 13 and name HN) 2.65 0.85 0.85 ! 0.6248 1117:10 Ambig 1.81, 4.34 A or (resid 13 and name HD2*) (resid 13 and name HN) ! 0.3744 1117:10 ----- 1.97, 4.50 A assign (resid 13 and name HD2*) (resid 14 and name HN) 3.15 1.35 1.35 ! 0.6191 1118:10 Ambig 2.21, 5.30 A or (resid 13 and name HD1*) (resid 14 and name HN) ! 0.3809 1118:10 ----- 2.40, 5.30 A assign (resid 66 and name HB2) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.0000 1119:10 Mid 2.22, 2.93 A assign (resid 17 and name HD1*) (resid 25 and name HN) 3.65 1.85 1.85 ! 0.0000 1120:10 Long 4.43, 5.28 A assign (resid 17 and name HD1*) (resid 50 and name HN) 3.65 1.85 1.85 ! 0.0000 1121:10 Long 3.78, 5.00 A assign (resid 79 and name HD2*) (resid 78 and name HN) 3.65 1.85 1.85 ! 0.0000 1122:10 Seq 5.57, 6.58 A assign (resid 79 and name HD2*) (resid 81 and name HN) 4.15 2.35 2.35 ! 0.0000 1123:10 Mid 6.12, 6.99 A assign (resid 17 and name HD1*) (resid 16 and name HN) 4.15 2.35 2.35 ! 0.0000 1124:10 Seq 4.32, 7.46 A assign (resid 79 and name HD2*) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.0000 1125:10 Seq 5.00, 5.80 A assign (resid 17 and name HD1*) (resid 17 and name HN) 3.15 1.35 1.35 ! 0.0000 1126:10 Intra 2.40, 4.89 A assign (resid 17 and name HD1*) (resid 26 and name HN) 4.15 2.35 2.35 ! 0.0000 1127:10 Long 6.34, 7.61 A assign (resid 17 and name HD1*) (resid 48 and name HN) 3.65 1.85 1.85 ! 0.0000 1128:10 Long 4.50, 6.19 A assign (resid 16 and name HG2*) (resid 17 and name HN) 3.15 1.35 1.35 ! 0.0000 1129:10 Seq 4.32, 4.86 A assign (resid 16 and name HG2*) (resid 15 and name HN) 3.65 1.85 1.85 ! 0.0000 1130:10 Seq 4.28, 5.56 A assign (resid 16 and name HG2*) (resid 16 and name HN) 3.15 1.35 1.35 ! 0.9986 1131:10 Intra 2.20, 3.24 A assign (resid 79 and name HD1*) (resid 78 and name HN) 4.15 2.35 2.35 ! 0.0000 1132:10 Seq 5.76, 6.67 A assign (resid 79 and name HD1*) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.0000 1133:10 Mid 4.67, 6.04 A assign (resid 79 and name HD1*) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.0000 1134:10 Seq 5.28, 6.04 A assign (resid 108 and name HG) (resid 108 and name HN) 2.30 0.50 0.50 ! 0.5837 1139:10 Ambig 2.23, 2.31 A or (resid 73 and name HB) (resid 74 and name HN) ! 0.3784 1139:10 ----- 2.40, 2.58 A assign (resid 86 and name HB2) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.0000 1141:10 Intra 2.29, 2.38 A assign (resid 79 and name HG) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.9989 1142:10 Intra 2.26, 2.45 A assign (resid 21 and name HD*) (resid 19 and name HN) 3.65 1.85 1.85 ! 0.6584 1143:10 Ambig 3.83, 6.33 A or (resid 21 and name HB*) (resid 19 and name HN) ! 0.1718 1143:10 ----- 4.79, 7.07 A or (resid 16 and name HB) (resid 19 and name HN) ! 0.1112 1143:10 ----- 5.15, 5.55 A or (resid 14 and name HB1) (resid 19 and name HN) ! 0.0386 1143:10 ----- 6.15, 7.11 A assign (resid 112 and name HG) (resid 110 and name HN) 4.15 2.35 2.35 ! 0.5215 1144:10 Ambig 4.50, 6.59 A or (resid 108 and name HB1) (resid 110 and name HN) ! 0.2709 1144:10 ----- 5.02, 5.33 A or (resid 112 and name HB*) (resid 110 and name HN) ! 0.1503 1144:10 ----- 5.54, 7.74 A or (resid 107 and name HG) (resid 110 and name HN) ! 0.0573 1144:10 ----- 6.51, 6.73 A assign (resid 107 and name HG) (resid 20 and name HD22) 3.65 1.85 1.85 ! 0.0000 1146:10 Long 4.33, 5.31 A assign (resid 97 and name HB2) (resid 98 and name HN) 2.65 0.85 0.85 ! 0.7067 1147:10 Ambig 3.11, 3.38 A or (resid 97 and name HB1) (resid 98 and name HN) ! 0.1448 1147:10 ----- 4.04, 4.18 A or (resid 97 and name HG) (resid 98 and name HN) ! 0.0873 1147:10 ----- 4.40, 4.62 A or (resid 95 and name HG*) (resid 98 and name HN) ! 0.0612 1147:10 ----- 4.67, 5.43 A assign (resid 17 and name HB2) (resid 18 and name HN) 2.65 0.85 0.85 ! 0.8429 1148:10 Ambig 2.52, 3.80 A or (resid 17 and name HG) (resid 18 and name HN) ! 0.1347 1148:10 ----- 3.42, 3.96 A assign (resid 69 and name HB2) (resid 8 and name HN) 3.65 1.85 1.85 ! 0.5415 1149:10 Ambig 4.54, 5.94 A or (resid 86 and name HB2) (resid 8 and name HN) ! 0.2901 1149:10 ----- 5.04, 5.57 A or (resid 72 and name HB*) (resid 8 and name HN) ! 0.1685 1149:10 ----- 5.52, 6.13 A assign (resid 40 and name HB) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.6163 1151:10 Ambig 4.31, 4.64 A or (resid 37 and name HD*) (resid 39 and name HN) ! 0.3208 1151:10 ----- 4.80, 6.99 A or (resid 42 and name HB) (resid 39 and name HN) ! 0.0629 1151:10 ----- 6.30, 7.11 A assign (resid 69 and name HB2) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.9928 1152:10 Seq 2.40, 2.82 A assign (resid 37 and name HG2) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.9500 1153:10 Ambig 2.61, 3.30 A or (resid 40 and name HB) (resid 38 and name HN) ! 0.0310 1153:10 ----- 4.62, 4.97 A assign (resid 50 and name HB) (resid 49 and name HN) 3.15 1.35 1.35 ! 0.4845 1154:10 Ambig 4.28, 4.37 A or (resid 17 and name HG) (resid 49 and name HN) ! 0.3039 1154:10 ----- 4.62, 6.26 A or (resid 46 and name HB1) (resid 49 and name HN) ! 0.1949 1154:10 ----- 4.98, 5.20 A assign (resid 30 and name HB1) (resid 33 and name HN) 3.65 1.85 1.85 ! 0.4033 1155:10 Ambig 5.18, 5.39 A or (resid 27 and name HG11) (resid 33 and name HN) ! 0.3122 1155:10 ----- 5.40, 6.23 A or (resid 37 and name HG2) (resid 33 and name HN) ! 0.1589 1155:10 ----- 6.05, 6.56 A or (resid 7 and name HG*) (resid 33 and name HN) ! 0.1256 1155:10 ----- 6.29, 7.09 A assign (resid 27 and name HG11) (resid 31 and name HN) 3.15 1.35 1.35 ! 0.3691 1156:10 Ambig 3.75, 4.68 A or (resid 30 and name HB1) (resid 31 and name HN) ! 0.3402 1156:10 ----- 3.80, 3.88 A or (resid 7 and name HG*) (resid 31 and name HN) ! 0.2826 1156:10 ----- 3.92, 4.68 A assign (resid 79 and name HB2) (resid 79 and name HN) 2.65 0.85 0.85 ! 0.9833 1157:10 Intra 2.40, 2.47 A assign (resid 109 and name HB*) (resid 110 and name HN) 2.65 0.85 0.85 ! 0.9834 1158:10 Seq 2.45, 3.76 A assign (resid 27 and name HG11) (resid 28 and name HN) 3.15 1.35 1.35 ! 0.9899 1159:10 Seq 2.16, 2.76 A assign (resid 66 and name HB1) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.4768 1160:10 Ambig 3.46, 3.87 A or (resid 66 and name HG2) (resid 68 and name HN) ! 0.2580 1160:10 ----- 3.83, 4.98 A or (resid 30 and name HB1) (resid 68 and name HN) ! 0.1964 1160:10 ----- 4.01, 4.48 A or (resid 7 and name HG*) (resid 68 and name HN) ! 0.0687 1160:10 ----- 4.77, 5.86 A assign (resid 7 and name HA) (resid 8 and name HN) 3.15 1.35 1.35 ! 0.8265 1161:10 Ambig 3.37, 3.51 A or (resid 9 and name HB*) (resid 8 and name HN) ! 0.1459 1161:10 ----- 4.50, 5.28 A assign (resid 21 and name HG*) (resid 19 and name HN) 4.15 2.35 2.35 ! 0.0000 1162:10 Mid 4.19, 5.75 A assign (resid 82 and name HG) (resid 100 and name HD21) 3.65 1.85 1.85 ! 0.0000 1163:10 Long 4.23, 4.72 A assign (resid 37 and name HG1) (resid 39 and name HN) 4.15 2.35 2.35 ! 0.0000 1164:10 Mid 4.79, 5.05 A assign (resid 9 and name HB*) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.9994 1165:10 Long 2.06, 4.07 A assign (resid 94 and name HB*) (resid 73 and name HN) 3.65 1.85 1.85 ! 0.0000 1166:10 Long 5.36, 6.43 A assign (resid 17 and name HB1) (resid 18 and name HN) 3.15 1.35 1.35 ! 0.0000 1167:10 Seq 2.49, 2.73 A assign (resid 42 and name HG12) (resid 33 and name HN) 4.15 2.35 2.35 ! 0.5709 1168:10 Ambig 5.40, 5.76 A or (resid 29 and name HG2*) (resid 33 and name HN) ! 0.4291 1168:10 ----- 5.66, 6.65 A assign (resid 45 and name HB*) (resid 49 and name HN) 3.65 1.85 1.85 ! 0.6300 1169:10 Ambig 5.38, 6.26 A or (resid 17 and name HB1) (resid 49 and name HN) ! 0.3700 1169:10 ----- 5.88, 7.85 A assign (resid 94 and name HB*) (resid 98 and name HN) 3.65 1.85 1.85 ! 0.0000 1170:10 Mid 5.43, 6.31 A assign (resid 45 and name HB*) (resid 44 and name HN) 4.15 2.35 2.35 ! 0.0000 1171:10 Seq 4.75, 5.37 A assign (resid 40 and name HG11) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.9872 1172:10 Seq 3.37, 3.71 A assign (resid 27 and name HG12) (resid 28 and name HN) 2.30 0.50 0.50 ! 0.7027 1173:10 Ambig 2.11, 3.43 A or (resid 28 and name HG2*) (resid 28 and name HN) ! 0.2492 1173:10 ----- 2.50, 3.40 A assign (resid 7 and name HB2) (resid 8 and name HN) 3.15 1.35 1.35 ! 0.9552 1174:10 Seq 2.68, 2.93 A assign (resid 85 and name HB*) (resid 86 and name HN) 2.65 0.85 0.85 ! 0.9942 1175:10 Seq 2.46, 3.55 A assign (resid 28 and name HG2*) (resid 73 and name HN) 3.15 1.35 1.35 ! 0.6643 1176:10 Ambig 4.83, 5.81 A or (resid 83 and name HG) (resid 73 and name HN) ! 0.2017 1176:10 ----- 5.89, 6.17 A or (resid 85 and name HB*) (resid 73 and name HN) ! 0.1340 1176:10 ----- 6.30, 7.67 A assign (resid 27 and name HG12) (resid 31 and name HN) 3.15 1.35 1.35 ! 0.6134 1177:10 Ambig 3.89, 5.28 A or (resid 28 and name HG2*) (resid 31 and name HN) ! 0.2120 1177:10 ----- 4.64, 4.99 A or (resid 27 and name HG2*) (resid 31 and name HN) ! 0.1277 1177:10 ----- 5.05, 6.58 A assign (resid 107 and name HD1*) (resid 19 and name HN) 4.15 2.35 2.35 ! 0.0000 1179:10 Long 5.12, 6.22 A assign (resid 32 and name HG2*) (resid 33 and name HN) 2.30 0.50 0.50 ! 0.9880 1180:10 Seq 2.24, 3.04 A assign (resid 32 and name HG2*) (resid 31 and name HN) 3.15 1.35 1.35 ! 0.7260 1181:10 Ambig 3.96, 5.21 A or (resid 30 and name HD2*) (resid 31 and name HN) ! 0.1806 1181:10 ----- 4.99, 5.75 A or (resid 7 and name HB1) (resid 31 and name HN) ! 0.0934 1181:10 ----- 5.57, 6.17 A assign (resid 104 and name HD1*) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.5294 1182:10 Ambig 4.60, 5.82 A or (resid 90 and name HG2*) (resid 86 and name HN) ! 0.3887 1182:10 ----- 4.85, 6.25 A or (resid 5 and name HG2*) (resid 86 and name HN) ! 0.0819 1182:10 ----- 6.28, 7.33 A assign (resid 50 and name HG2*) (resid 49 and name HN) 3.15 1.35 1.35 ! 0.9514 1183:10 Seq 3.53, 4.95 A assign (resid 30 and name HD1*) (resid 67 and name HE21) 3.15 1.35 1.35 ! 0.9933 1184:10 Long 1.90, 5.34 A assign (resid 40 and name HD1*) (resid 39 and name HN) 3.15 1.35 1.35 ! 0.6132 1185:10 Ambig 4.94, 5.89 A or (resid 36 and name HD1*) (resid 39 and name HN) ! 0.3868 1185:10 ----- 5.33, 6.53 A assign (resid 102 and name HG2*) (resid 100 and name HD21) 3.65 1.85 1.85 ! 0.9564 1186:10 Mid 3.44, 5.21 A assign (resid 102 and name HG2*) (resid 100 and name HD22) 3.65 1.85 1.85 ! 0.9976 1187:10 Mid 2.58, 3.90 A assign (resid 30 and name HD1*) (resid 68 and name HN) 3.15 1.35 1.35 ! 0.0000 1189:10 Long 3.30, 4.36 A assign (resid 90 and name HG1*) (resid 8 and name HN) 3.65 1.85 1.85 ! 0.9113 1191:10 Ambig 4.32, 5.82 A or (resid 83 and name HD1*) (resid 8 and name HN) ! 0.0887 1191:10 ----- 6.37, 7.82 A assign (resid 90 and name HG1*) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.6018 1192:10 Ambig 4.64, 6.01 A or (resid 84 and name HG2*) (resid 86 and name HN) ! 0.3982 1192:10 ----- 4.97, 6.17 A assign (resid 108 and name HD2*) (resid 19 and name HN) 3.15 1.35 1.35 ! 0.9671 1194:10 Long 4.27, 4.87 A assign (resid 4 and name HG1*) (resid 28 and name HN) 3.15 1.35 1.35 ! 0.5525 1195:10 Ambig 3.99, 4.89 A or (resid 26 and name HG1*) (resid 28 and name HN) ! 0.2790 1195:10 ----- 4.47, 5.71 A or (resid 75 and name HG1*) (resid 28 and name HN) ! 0.0747 1195:10 ----- 5.57, 6.84 A or (resid 50 and name HG1*) (resid 28 and name HN) ! 0.0396 1195:10 ----- 6.19, 6.63 A or (resid 5 and name HG11) (resid 28 and name HN) ! 0.0369 1195:10 ----- 6.27, 6.72 A assign (resid 62 and name HG1*) (resid 63 and name HN) 3.15 1.35 1.35 ! 0.9695 1196:10 Seq 2.11, 4.37 A assign (resid 73 and name HG11) (resid 73 and name HN) 2.30 0.50 0.50 ! 0.9456 1197:10 Ambig 2.02, 2.13 A or (resid 83 and name HD1*) (resid 73 and name HN) ! 0.0186 1197:10 ----- 3.89, 4.84 A assign (resid 62 and name HG1*) (resid 70 and name HN) 3.15 1.35 1.35 ! 0.3284 1198:10 Ambig 3.90, 6.94 A or (resid 65 and name HD1*) (resid 70 and name HN) ! 0.2112 1198:10 ----- 4.20, 5.89 A or (resid 62 and name HG2*) (resid 70 and name HN) ! 0.1751 1198:10 ----- 4.34, 5.78 A or (resid 73 and name HD1*) (resid 70 and name HN) ! 0.1624 1198:10 ----- 4.39, 5.52 A or (resid 65 and name HD2*) (resid 70 and name HN) ! 0.0628 1198:10 ----- 5.14, 6.91 A or (resid 90 and name HG1*) (resid 70 and name HN) ! 0.0600 1198:10 ----- 5.18, 6.53 A assign (resid 82 and name HD2*) (resid 100 and name HD21) 2.65 0.85 0.85 ! 0.9345 1201:10 Ambig 1.87, 2.62 A or (resid 82 and name HD1*) (resid 100 and name HD21) ! 0.0642 1201:10 ----- 2.92, 4.95 A assign (resid 82 and name HD2*) (resid 100 and name HD22) 3.15 1.35 1.35 ! 0.8638 1202:10 Ambig 2.89, 3.59 A or (resid 82 and name HD1*) (resid 100 and name HD22) ! 0.1362 1202:10 ----- 3.94, 5.45 A assign (resid 17 and name HD2*) (resid 49 and name HN) 3.15 1.35 1.35 ! 0.9078 1203:10 Ambig 3.69, 5.34 A or (resid 46 and name HD2*) (resid 49 and name HN) ! 0.0922 1203:10 ----- 5.41, 6.44 A assign (resid 97 and name HD2*) (resid 98 and name HN) 3.15 1.35 1.35 ! 0.5669 1204:10 Ambig 4.95, 5.79 A or (resid 97 and name HD1*) (resid 98 and name HN) ! 0.3111 1204:10 ----- 5.47, 6.24 A or (resid 99 and name HG1*) (resid 98 and name HN) ! 0.1220 1204:10 ----- 6.40, 6.72 A assign (resid 17 and name HD2*) (resid 18 and name HN) 3.15 1.35 1.35 ! 0.0000 1205:10 Seq 4.43, 5.42 A assign (resid 40 and name HG2*) (resid 39 and name HN) 4.15 2.35 2.35 ! 0.0000 1207:10 Seq 6.48, 6.85 A assign (resid 27 and name HD1*) (resid 28 and name HN) 3.15 1.35 1.35 ! 0.9991 1208:10 Seq 1.80, 3.28 A assign (resid 66 and name HB2) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.0000 1209:10 Mid 3.95, 4.62 A assign (resid 66 and name HB2) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.0000 1210:10 Mid 2.37, 2.88 A assign (resid 79 and name HD2*) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.0000 1211:10 Intra 3.51, 4.33 A assign (resid 17 and name HD1*) (resid 18 and name HN) 3.65 1.85 1.85 ! 0.0000 1212:10 Seq 4.47, 5.47 A assign (resid 17 and name HD1*) (resid 19 and name HN) 4.15 2.35 2.35 ! 0.0000 1213:10 Mid 5.85, 6.98 A assign (resid 16 and name HG2*) (resid 19 and name HN) 3.65 1.85 1.85 ! 0.0000 1214:10 Mid 5.54, 6.48 A assign (resid 79 and name HD1*) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.0000 1216:10 Intra 3.85, 4.55 A assign (resid 77 and name HD*) (resid 78 and name HN) 3.15 1.35 1.35 ! 0.0000 1218:10 Seq 3.27, 4.50 A assign (resid 34 and name HD*) (resid 35 and name HN) 3.15 1.35 1.35 ! 0.7698 1220:10 Ambig 3.22, 4.59 A or (resid 10 and name HZ) (resid 35 and name HN) ! 0.2302 1220:10 ----- 3.94, 4.33 A assign (resid 95 and name HA) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.9851 1221:10 Long 3.11, 3.57 A assign (resid 38 and name HB2) (resid 39 and name HN) 3.15 1.35 1.35 ! 0.8608 1222:10 Ambig 2.95, 3.37 A or (resid 38 and name HB1) (resid 39 and name HN) ! 0.1392 1222:10 ----- 4.00, 4.25 A assign (resid 12 and name HG2) (resid 12 and name HN) 3.15 1.35 1.35 ! 0.9957 1223:10 Intra 2.38, 3.62 A assign (resid 102 and name HD1*) (resid 102 and name HN) 2.65 0.85 0.85 ! 0.8582 1224:10 Ambig 2.54, 3.66 A or (resid 82 and name HD1*) (resid 102 and name HN) ! 0.1100 1224:10 ----- 3.58, 4.73 A assign (resid 17 and name HD2*) (resid 25 and name HN) 3.65 1.85 1.85 ! 0.4678 1225:10 Ambig 4.56, 7.62 A or (resid 13 and name HD1*) (resid 9 and name HN) ! 0.1722 1225:10 ----- 5.39, 7.32 A or (resid 5 and name HD1*) (resid 25 and name HN) ! 0.1485 1225:10 ----- 5.52, 6.97 A or (resid 40 and name HG2*) (resid 35 and name HN) ! 0.1147 1225:10 ----- 5.77, 6.85 A or (resid 5 and name HD1*) (resid 9 and name HN) ! 0.0969 1225:10 ----- 5.93, 7.78 A assign (resid 17 and name HD2*) (resid 50 and name HN) 3.15 1.35 1.35 ! 0.8354 1226:10 Ambig 3.08, 4.85 A or (resid 46 and name HD2*) (resid 50 and name HN) ! 0.1530 1226:10 ----- 4.08, 5.34 A assign (resid 83 and name HD2*) (resid 101 and name HN) 3.15 1.35 1.35 ! 0.4330 1227:10 Ambig 4.86, 6.03 A or (resid 82 and name HD2*) (resid 101 and name HN) ! 0.2953 1227:10 ----- 5.19, 6.48 A or (resid 82 and name HD1*) (resid 101 and name HN) ! 0.1869 1227:10 ----- 5.60, 7.06 A or (resid 91 and name HD1*) (resid 101 and name HN) ! 0.0847 1227:10 ----- 6.38, 7.75 A assign (resid 3 and name HB*) (resid 4 and name HN) 2.65 0.85 0.85 ! 0.7700 1229:10 Ambig 3.43, 4.07 A or (resid 84 and name HD1*) (resid 4 and name HN) ! 0.1201 1229:10 ----- 4.67, 5.76 A or (resid 26 and name HG2*) (resid 4 and name HN) ! 0.0690 1229:10 ----- 5.13, 5.95 A assign (resid 74 and name HB2) (resid 75 and name HN) 2.65 0.85 0.85 ! 0.9609 1230:10 Seq 2.63, 2.78 A assign (resid 4 and name HG2*) (resid 26 and name HN) 3.15 1.35 1.35 ! 0.6526 1231:10 Ambig 3.98, 4.90 A or (resid 50 and name HG2*) (resid 26 and name HN) ! 0.2022 1231:10 ----- 4.84, 6.01 A or (resid 51 and name HD1*) (resid 26 and name HN) ! 0.0877 1231:10 ----- 5.56, 6.62 A or (resid 5 and name HG2*) (resid 26 and name HN) ! 0.0294 1231:10 ----- 6.67, 7.07 A assign (resid 90 and name HG2*) (resid 8 and name HN) 3.15 1.35 1.35 ! 0.7270 1232:10 Ambig 4.27, 5.72 A or (resid 5 and name HG2*) (resid 8 and name HN) ! 0.2730 1232:10 ----- 5.03, 6.41 A assign (resid 32 and name HG1*) (resid 28 and name HN) 3.15 1.35 1.35 ! 0.5980 1233:10 Ambig 4.33, 5.44 A or (resid 32 and name HG2*) (resid 28 and name HN) ! 0.1625 1233:10 ----- 5.38, 6.67 A or (resid 5 and name HG2*) (resid 28 and name HN) ! 0.1387 1233:10 ----- 5.52, 6.85 A or (resid 4 and name HG2*) (resid 28 and name HN) ! 0.0605 1233:10 ----- 6.34, 7.39 A assign (resid 90 and name HG2*) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.0000 1234:10 Long 4.69, 6.47 A assign (resid 84 and name HG12) (resid 4 and name HN) 3.65 1.85 1.85 ! 0.5179 1235:10 Ambig 5.34, 5.70 A or (resid 83 and name HG) (resid 4 and name HN) ! 0.4821 1235:10 ----- 5.40, 5.69 A assign (resid 93 and name HB1) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.3757 1237:10 Ambig 5.10, 5.38 A or (resid 93 and name HB1) (resid 90 and name HN) ! 0.3154 1237:10 ----- 5.25, 6.12 A or (resid 91 and name HG12) (resid 90 and name HN) ! 0.1710 1237:10 ----- 5.81, 6.01 A or (resid 69 and name HB2) (resid 90 and name HN) ! 0.1379 1237:10 ----- 6.03, 6.52 A assign (resid 79 and name HB2) (resid 80 and name HN) 3.15 1.35 1.35 ! 0.9584 1238:10 Seq 3.02, 3.18 A assign (resid 76 and name HB*) (resid 81 and name HN) 2.65 0.85 0.85 ! 0.7166 1239:10 Ambig 3.24, 4.30 A or (resid 79 and name HB1) (resid 81 and name HN) ! 0.2834 1239:10 ----- 3.78, 4.41 A assign (resid 86 and name HB2) (resid 87 and name HN) 3.15 1.35 1.35 ! 0.9656 1240:10 Seq 2.82, 3.25 A assign (resid 83 and name HB2) (resid 4 and name HN) 3.15 1.35 1.35 ! 0.7302 1241:10 Ambig 4.45, 4.64 A or (resid 23 and name HB1) (resid 4 and name HN) ! 0.1384 1241:10 ----- 5.88, 6.09 A or (resid 79 and name HB2) (resid 4 and name HN) ! 0.1314 1241:10 ----- 5.93, 6.26 A assign (resid 21 and name HA) (resid 23 and name HN) 3.65 1.85 1.85 ! 0.0000 1242:10 Mid 2.78, 3.38 A assign (resid 6 and name HA) (resid 72 and name HN) 3.65 1.85 1.85 ! 0.0000 1243:10 Long 4.57, 4.87 A assign (resid 42 and name HA) (resid 45 and name HN) 2.65 0.85 0.85 ! 0.6568 1244:10 Ambig 3.10, 3.31 A or (resid 44 and name HA) (resid 45 and name HN) ! 0.3432 1244:10 ----- 3.45, 3.50 A assign (resid 30 and name HA) (resid 31 and name HN) 3.15 1.35 1.35 ! 0.0000 1245:10 Seq 3.39, 3.44 A assign (resid 89 and name HA) (resid 92 and name HD21) 3.65 1.85 1.85 ! 0.0000 1246:10 Mid 3.07, 3.84 A assign (resid 87 and name HN) (resid 86 and name HN) 3.15 1.35 1.35 ! 0.0000 1247:10 Seq 1.93, 2.18 A assign (resid 55 and name HN) (resid 29 and name HN) 3.65 1.85 1.85 ! 0.9857 1248:10 Long 3.25, 4.55 A assign (resid 6 and name HN) (resid 5 and name HN) 3.65 1.85 1.85 ! 0.8774 1249:10 Ambig 4.34, 4.41 A or (resid 3 and name HN) (resid 5 and name HN) ! 0.1226 1249:10 ----- 6.02, 6.13 A assign (resid 4 and name HN) (resid 5 and name HN) 3.65 1.85 1.85 ! 0.0000 1250:10 Seq 4.36, 4.40 A assign (resid 9 and name HN) (resid 85 and name HN) 4.15 2.35 2.35 ! 0.7518 1252:10 Ambig 6.01, 6.49 A or (resid 8 and name HN) (resid 85 and name HN) ! 0.2482 1252:10 ----- 7.22, 7.56 A assign (resid 4 and name HN) (resid 26 and name HN) 3.65 1.85 1.85 ! 0.0000 1254:10 Long 4.39, 4.50 A assign (resid 11 and name HN) (resid 13 and name HN) 3.65 1.85 1.85 ! 0.0000 1255:10 Mid 2.60, 2.89 A assign (resid 40 and name HN) (resid 41 and name HN) 3.65 1.85 1.85 ! 0.0000 1256:10 Seq 4.43, 4.51 A assign (resid 42 and name HN) (resid 41 and name HN) 3.65 1.85 1.85 ! 0.0000 1257:10 Seq 3.90, 4.10 A assign (resid 79 and name HN) (resid 78 and name HN) 2.65 0.85 0.85 ! 0.9421 1258:10 Ambig 2.53, 2.69 A or (resid 76 and name HN) (resid 78 and name HN) ! 0.0579 1258:10 ----- 4.02, 4.17 A assign (resid 24 and name HN) (resid 82 and name HN) 4.15 2.35 2.35 ! 0.7272 1259:10 Ambig 6.44, 6.66 A or (resid 76 and name HN) (resid 82 and name HN) ! 0.2728 1259:10 ----- 7.58, 7.82 A assign (resid 77 and name HN) (resid 76 and name HN) 2.30 0.50 0.50 ! 0.5238 1261:10 Ambig 2.51, 2.57 A or (resid 75 and name HN) (resid 76 and name HN) ! 0.4450 1261:10 ----- 2.58, 2.62 A assign (resid 89 and name HN) (resid 90 and name HN) 2.30 0.50 0.50 ! 0.9672 1262:10 Seq 2.21, 2.30 A assign (resid 65 and name HN) (resid 64 and name HD21) 4.15 2.35 2.35 ! 0.0000 1267:10 Seq 2.99, 4.33 A assign (resid 22 and name HN) (resid 22 and name HD22) 4.15 2.35 2.35 ! 0.0000 1268:10 Intra 4.41, 6.05 A assign (resid 36 and name HN) (resid 39 and name HN) 3.65 1.85 1.85 ! 0.0000 1269:10 Mid 4.61, 4.87 A assign (resid 97 and name HN) (resid 94 and name HN) 3.65 1.85 1.85 ! 0.0000 1271:10 Mid 4.71, 4.84 A assign (resid 56 and name HN) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.0000 1272:10 Seq 4.04, 4.38 A assign (resid 13 and name HN) (resid 17 and name HN) 4.15 2.35 2.35 ! 0.0000 1274:10 Mid 6.01, 6.14 A assign (resid 64 and name HD22) (resid 90 and name HN) 4.15 2.35 2.35 ! 0.4427 1277:10 Ambig 4.99, 7.00 A or (resid 92 and name HD22) (resid 96 and name HN) ! 0.2851 1277:10 ----- 5.37, 5.77 A or (resid 92 and name HD22) (resid 90 and name HN) ! 0.2721 1277:10 ----- 5.41, 7.95 A assign (resid 87 and name HN) (resid 9 and name HN) 4.15 2.35 2.35 ! 0.8232 1282:10 Ambig 4.99, 5.50 A or (resid 23 and name HD*) (resid 25 and name HN) ! 0.1768 1282:10 ----- 6.44, 7.05 A assign (resid 107 and name HN) (resid 108 and name HN) 2.65 0.85 0.85 ! 0.9834 1284:10 Seq 2.43, 2.62 A assign (resid 34 and name HE*) (resid 10 and name HN) 3.65 1.85 1.85 ! 0.7857 1286:10 Ambig 4.12, 7.06 A or (resid 13 and name HN) (resid 10 and name HN) ! 0.2143 1286:10 ----- 5.12, 5.84 A assign (resid 67 and name HE22) (resid 68 and name HN) 4.15 2.35 2.35 ! 0.6030 1287:10 Ambig 5.68, 6.73 A or (resid 72 and name HN) (resid 68 and name HN) ! 0.3970 1287:10 ----- 6.09, 6.30 A assign (resid 72 and name HN) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.0000 1290:10 Mid 4.00, 4.19 A assign (resid 68 and name HD*) (resid 68 and name HN) 2.65 0.85 0.85 ! 0.5600 1291:10 Ambig 2.56, 3.49 A or (resid 69 and name HN) (resid 68 and name HN) ! 0.3998 1291:10 ----- 2.70, 2.79 A assign (resid 6 and name HA) (resid 6 and name HN) 3.15 1.35 1.35 ! 0.9931 1292:10 Intra 2.87, 2.89 A assign (resid 82 and name HA) (resid 82 and name HN) 3.15 1.35 1.35 ! 0.9929 1295:10 Intra 2.89, 2.91 A assign (resid 47 and name HA) (resid 46 and name HN) 3.65 1.85 1.85 ! 0.6191 1296:10 Ambig 5.19, 5.29 A or (resid 49 and name HA2) (resid 46 and name HN) ! 0.1418 1296:10 ----- 6.63, 7.06 A or (resid 51 and name HA) (resid 46 and name HN) ! 0.1243 1296:10 ----- 6.78, 7.06 A or (resid 48 and name HA) (resid 46 and name HN) ! 0.1148 1296:10 ----- 6.87, 7.00 A assign (resid 95 and name HA) (resid 97 and name HN) 3.65 1.85 1.85 ! 0.8168 1297:10 Ambig 3.67, 3.98 A or (resid 98 and name HA2) (resid 97 and name HN) ! 0.1832 1297:10 ----- 4.70, 4.85 A assign (resid 38 and name HA) (resid 37 and name HN) 3.65 1.85 1.85 ! 0.0000 1298:10 Seq 5.07, 5.22 A assign (resid 34 and name HA) (resid 34 and name HN) 2.65 0.85 0.85 ! 0.7905 1300:10 Ambig 2.79, 2.81 A or (resid 33 and name HA) (resid 34 and name HN) ! 0.2065 1300:10 ----- 3.48, 3.53 A assign (resid 44 and name HA) (resid 48 and name HN) 3.15 1.35 1.35 ! 0.9557 1301:10 Mid 3.84, 4.23 A assign (resid 8 and name HB2) (resid 86 and name HN) 3.65 1.85 1.85 ! 0.0000 1302:10 Long 2.08, 2.89 A assign (resid 8 and name HB2) (resid 10 and name HN) 3.65 1.85 1.85 ! 0.9227 1303:10 Ambig 4.97, 5.17 A or (resid 31 and name HA2) (resid 10 and name HN) ! 0.0773 1303:10 ----- 7.52, 7.88 A assign (resid 97 and name HA) (resid 99 and name HN) 3.65 1.85 1.85 ! 0.6993 1304:10 Ambig 4.57, 4.75 A or (resid 77 and name HA) (resid 99 and name HN) ! 0.3007 1304:10 ----- 5.25, 5.63 A assign (resid 19 and name HB1) (resid 19 and name HN) 3.15 1.35 1.35 ! 0.0000 1306:10 Intra 2.52, 3.29 A assign (resid 36 and name HA) (resid 36 and name HN) 2.65 0.85 0.85 ! 0.7794 1307:10 Ambig 2.78, 2.80 A or (resid 94 and name HA) (resid 95 and name HN) ! 0.2129 1307:10 ----- 3.45, 3.51 A assign (resid 103 and name HD2) (resid 107 and name HN) 3.65 1.85 1.85 ! 0.0000 1308:10 Mid 4.43, 4.78 A assign (resid 75 and name HA) (resid 75 and name HN) 2.65 0.85 0.85 ! 0.4880 1309:10 Ambig 2.81, 2.83 A or (resid 75 and name HA) (resid 78 and name HN) ! 0.2927 1309:10 ----- 3.06, 3.22 A or (resid 72 and name HA) (resid 75 and name HN) ! 0.1694 1309:10 ----- 3.35, 3.58 A assign (resid 103 and name HD2) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.0000 1310:10 Mid 3.46, 3.93 A assign (resid 29 and name HA) (resid 29 and name HN) 3.15 1.35 1.35 ! 0.0000 1311:10 Intra 2.74, 2.79 A assign (resid 38 and name HB2) (resid 38 and name HN) 2.65 0.85 0.85 ! 0.9180 1312:10 Ambig 2.39, 2.51 A or (resid 38 and name HB1) (resid 38 and name HN) ! 0.0820 1312:10 ----- 3.58, 3.63 A assign (resid 10 and name HB2) (resid 9 and name HN) 3.15 1.35 1.35 ! 0.7477 1313:10 Ambig 4.05, 4.57 A or (resid 10 and name HB1) (resid 9 and name HN) ! 0.1365 1313:10 ----- 5.38, 5.81 A or (resid 10 and name HB1) (resid 35 and name HN) ! 0.0649 1313:10 ----- 6.09, 6.72 A or (resid 10 and name HB2) (resid 35 and name HN) ! 0.0509 1313:10 ----- 6.34, 6.95 A assign (resid 10 and name HB1) (resid 10 and name HN) 3.15 1.35 1.35 ! 0.0000 1314:10 Intra 3.52, 3.60 A assign (resid 66 and name HD1) (resid 69 and name HN) 4.15 2.35 2.35 ! 0.0000 1315:10 Mid 5.21, 5.44 A assign (resid 96 and name HB2) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.8002 1316:10 Ambig 4.55, 4.66 A or (resid 96 and name HB1) (resid 95 and name HN) ! 0.1537 1316:10 ----- 6.00, 6.09 A assign (resid 71 and name HG2) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.0000 1317:10 Intra 4.16, 4.48 A assign (resid 86 and name HG1) (resid 9 and name HN) 4.15 2.35 2.35 ! 0.8922 1318:10 Ambig 4.05, 5.31 A or (resid 69 and name HG1) (resid 9 and name HN) ! 0.0725 1318:10 ----- 6.16, 7.58 A assign (resid 86 and name HG1) (resid 104 and name HN) 3.15 1.35 1.35 ! 0.5927 1319:10 Ambig 4.13, 4.58 A or (resid 103 and name HG2) (resid 104 and name HN) ! 0.4073 1319:10 ----- 4.39, 4.98 A assign (resid 69 and name HG1) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.9327 1320:10 Ambig 2.71, 4.43 A or (resid 71 and name HB*) (resid 70 and name HN) ! 0.0400 1320:10 ----- 4.57, 5.06 A assign (resid 86 and name HG1) (resid 85 and name HN) 4.15 2.35 2.35 ! 0.3435 1321:10 Ambig 5.48, 6.66 A or (resid 90 and name HB) (resid 85 and name HN) ! 0.2376 1321:10 ----- 5.83, 6.27 A or (resid 107 and name HB1) (resid 85 and name HN) ! 0.1616 1321:10 ----- 6.21, 6.67 A or (resid 106 and name HB2) (resid 85 and name HN) ! 0.1288 1321:10 ----- 6.45, 7.13 A or (resid 103 and name HG2) (resid 85 and name HN) ! 0.1284 1321:10 ----- 6.45, 6.86 A assign (resid 106 and name HB1) (resid 107 and name HN) 3.15 1.35 1.35 ! 0.0000 1322:10 Seq 2.36, 3.29 A assign (resid 84 and name HB) (resid 84 and name HN) 2.65 0.85 0.85 ! 0.9981 1323:10 Intra 2.51, 2.58 A assign (resid 46 and name HB2) (resid 43 and name HN) 4.15 2.35 2.35 ! 0.0000 1324:10 Mid 5.12, 5.33 A assign (resid 93 and name HB2) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.3321 1325:10 Ambig 4.43, 4.95 A or (resid 88 and name HB*) (resid 92 and name HN) ! 0.2705 1325:10 ----- 4.58, 5.50 A or (resid 95 and name HB*) (resid 92 and name HN) ! 0.2218 1325:10 ----- 4.74, 5.58 A or (resid 95 and name HD2) (resid 92 and name HN) ! 0.1340 1325:10 ----- 5.15, 6.80 A assign (resid 102 and name HB) (resid 85 and name HN) 3.65 1.85 1.85 ! 0.4637 1326:10 Ambig 5.54, 5.74 A or (resid 103 and name HG1) (resid 85 and name HN) ! 0.4248 1326:10 ----- 5.62, 6.14 A or (resid 5 and name HG12) (resid 85 and name HN) ! 0.1116 1326:10 ----- 7.02, 7.73 A assign (resid 4 and name HB) (resid 82 and name HN) 3.65 1.85 1.85 ! 0.0000 1327:10 Long 5.23, 5.43 A assign (resid 16 and name HG12) (resid 17 and name HN) 3.15 1.35 1.35 ! 0.9866 1328:10 Seq 2.43, 2.72 A assign (resid 99 and name HB) (resid 97 and name HN) 3.65 1.85 1.85 ! 0.7586 1329:10 Ambig 4.51, 4.76 A or (resid 93 and name HB2) (resid 97 and name HN) ! 0.1505 1329:10 ----- 5.91, 6.48 A or (resid 95 and name HD2) (resid 97 and name HN) ! 0.0475 1329:10 ----- 7.16, 7.48 A assign (resid 46 and name HG) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.6098 1330:10 Ambig 4.06, 4.19 A or (resid 48 and name HG1) (resid 47 and name HN) ! 0.3466 1330:10 ----- 4.46, 4.68 A assign (resid 37 and name HB*) (resid 34 and name HN) 3.65 1.85 1.85 ! 0.5488 1331:10 Ambig 5.27, 6.74 A or (resid 30 and name HB2) (resid 34 and name HN) ! 0.4512 1331:10 ----- 5.44, 5.65 A assign (resid 75 and name HB) (resid 76 and name HN) 2.65 0.85 0.85 ! 0.9217 1332:10 Ambig 2.51, 2.76 A or (resid 4 and name HB) (resid 76 and name HN) ! 0.0714 1332:10 ----- 3.85, 4.07 A assign (resid 19 and name HB2) (resid 19 and name HN) 2.65 0.85 0.85 ! 0.9947 1333:10 Intra 2.47, 2.64 A assign (resid 50 and name HA) (resid 49 and name HN) 3.65 1.85 1.85 ! 0.0000 1334:10 Seq 4.67, 4.77 A assign (resid 45 and name HA) (resid 44 and name HN) 3.65 1.85 1.85 ! 0.0000 1335:10 Seq 5.16, 5.25 A assign (resid 71 and name HA) (resid 73 and name HN) 3.65 1.85 1.85 ! 0.0000 1336:10 Mid 4.27, 4.56 A assign (resid 73 and name HA) (resid 74 and name HN) 3.15 1.35 1.35 ! 0.0000 1337:10 Seq 3.51, 3.54 A assign (resid 37 and name HE*) (resid 38 and name HN) 4.15 2.35 2.35 ! 0.8488 1338:10 Ambig 4.56, 5.73 A or (resid 34 and name HB2) (resid 38 and name HN) ! 0.1512 1338:10 ----- 6.07, 6.32 A assign (resid 74 and name HG2) (resid 74 and name HN) 2.65 0.85 0.85 ! 0.9812 1339:10 Intra 2.29, 2.49 A assign (resid 96 and name HB2) (resid 98 and name HN) 3.65 1.85 1.85 ! 0.0000 1341:10 Mid 4.66, 4.79 A assign (resid 73 and name HG12) (resid 73 and name HN) 2.65 0.85 0.85 ! 0.8784 1342:10 Ambig 3.27, 3.35 A or (resid 69 and name HB1) (resid 73 and name HN) ! 0.1216 1342:10 ----- 4.55, 4.97 A assign (resid 26 and name HB) (resid 3 and name HN) 3.65 1.85 1.85 ! 0.9783 1343:10 Long 3.93, 4.31 A assign (resid 12 and name HD1) (resid 12 and name HN) 3.15 1.35 1.35 ! 0.0000 1344:10 Intra 3.80, 4.63 A assign (resid 73 and name HB) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.7994 1345:10 Ambig 4.93, 5.19 A or (resid 65 and name HG) (resid 70 and name HN) ! 0.2006 1345:10 ----- 6.20, 6.84 A assign (resid 36 and name HG12) (resid 36 and name HN) 2.30 0.50 0.50 ! 0.9791 1346:10 Intra 2.11, 2.22 A assign (resid 36 and name HG12) (resid 32 and name HN) 4.15 2.35 2.35 ! 0.0000 1347:10 Mid 5.88, 6.07 A assign (resid 79 and name HB2) (resid 81 and name HN) 3.65 1.85 1.85 ! 0.9821 1348:10 Mid 2.72, 3.32 A assign (resid 51 and name HG12) (resid 27 and name HN) 3.15 1.35 1.35 ! 0.7581 1349:10 Ambig 4.45, 4.62 A or (resid 50 and name HB) (resid 27 and name HN) ! 0.2419 1349:10 ----- 5.39, 5.57 A assign (resid 48 and name HG2) (resid 48 and name HN) 3.15 1.35 1.35 ! 0.9662 1350:10 Intra 3.51, 3.74 A assign (resid 91 and name HG12) (resid 85 and name HN) 3.65 1.85 1.85 ! 0.6445 1351:10 Ambig 3.46, 3.70 A or (resid 104 and name HG11) (resid 85 and name HN) ! 0.2629 1351:10 ----- 4.02, 4.39 A or (resid 107 and name HB2) (resid 85 and name HN) ! 0.0608 1351:10 ----- 5.13, 5.66 A assign (resid 46 and name HB1) (resid 47 and name HN) 2.65 0.85 0.85 ! 0.9008 1352:10 Ambig 3.54, 3.58 A or (resid 50 and name HB) (resid 47 and name HN) ! 0.0992 1352:10 ----- 5.11, 5.28 A assign (resid 72 and name HB*) (resid 6 and name HN) 3.15 1.35 1.35 ! 0.9327 1353:10 Ambig 4.07, 4.87 A or (resid 83 and name HB2) (resid 6 and name HN) ! 0.0673 1353:10 ----- 6.30, 6.61 A assign (resid 93 and name HG2) (resid 93 and name HN) 2.30 0.50 0.50 ! 0.6371 1354:10 Ambig 2.23, 3.63 A or (resid 93 and name HB1) (resid 93 and name HN) ! 0.3623 1354:10 ----- 2.45, 3.02 A assign (resid 97 and name HB1) (resid 99 and name HN) 3.15 1.35 1.35 ! 0.5046 1355:10 Ambig 4.15, 4.43 A or (resid 95 and name HG*) (resid 99 and name HN) ! 0.3290 1355:10 ----- 4.46, 5.84 A or (resid 97 and name HG) (resid 99 and name HN) ! 0.1664 1355:10 ----- 4.99, 5.27 A assign (resid 13 and name HB1) (resid 13 and name HN) 2.65 0.85 0.85 ! 0.8913 1356:10 Ambig 2.45, 3.08 A or (resid 14 and name HG1) (resid 13 and name HN) ! 0.0728 1356:10 ----- 3.72, 4.21 A assign (resid 81 and name HB*) (resid 82 and name HN) 2.30 0.50 0.50 ! 0.7391 1357:10 Ambig 1.97, 2.94 A or (resid 82 and name HB*) (resid 82 and name HN) ! 0.2606 1357:10 ----- 2.34, 2.54 A assign (resid 21 and name HG*) (resid 23 and name HN) 4.15 2.35 2.35 ! 0.9139 1358:10 Ambig 4.73, 6.05 A or (resid 82 and name HG) (resid 23 and name HN) ! 0.0861 1358:10 ----- 7.02, 7.72 A assign (resid 107 and name HB2) (resid 107 and name HN) 2.30 0.50 0.50 ! 0.9777 1359:10 Intra 2.34, 2.44 A assign (resid 81 and name HB*) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.0000 1360:10 Mid 4.26, 5.10 A assign (resid 74 and name HB1) (resid 77 and name HN) 3.65 1.85 1.85 ! 0.5861 1361:10 Ambig 4.99, 5.11 A or (resid 81 and name HB*) (resid 77 and name HN) ! 0.4139 1361:10 ----- 5.29, 6.34 A assign (resid 27 and name HG2*) (resid 32 and name HN) 3.65 1.85 1.85 ! 0.9128 1362:10 Ambig 3.55, 4.89 A or (resid 42 and name HG11) (resid 32 and name HN) ! 0.0407 1362:10 ----- 5.97, 6.33 A assign (resid 84 and name HG12) (resid 84 and name HN) 2.65 0.85 0.85 ! 0.7909 1364:10 Ambig 3.54, 3.66 A or (resid 85 and name HB*) (resid 84 and name HN) ! 0.1646 1364:10 ----- 4.60, 5.53 A assign (resid 27 and name HG12) (resid 5 and name HN) 3.15 1.35 1.35 ! 0.7825 1366:10 Ambig 3.60, 5.52 A or (resid 28 and name HG2*) (resid 5 and name HN) ! 0.1411 1366:10 ----- 4.79, 6.10 A or (resid 27 and name HG2*) (resid 5 and name HN) ! 0.0423 1366:10 ----- 5.86, 6.42 A assign (resid 107 and name HD1*) (resid 16 and name HN) 3.65 1.85 1.85 ! 0.6061 1367:10 Ambig 4.72, 5.85 A or (resid 104 and name HG12) (resid 16 and name HN) ! 0.3939 1367:10 ----- 5.08, 5.58 A assign (resid 83 and name HB1) (resid 84 and name HN) 3.15 1.35 1.35 ! 0.7903 1368:10 Ambig 4.01, 4.15 A or (resid 4 and name HG2*) (resid 84 and name HN) ! 0.1084 1368:10 ----- 5.59, 6.33 A or (resid 102 and name HG11) (resid 84 and name HN) ! 0.1012 1368:10 ----- 5.65, 6.06 A assign (resid 107 and name HD1*) (resid 109 and name HN) 3.65 1.85 1.85 ! 0.6475 1369:10 Ambig 4.89, 6.13 A or (resid 107 and name HD2*) (resid 109 and name HN) ! 0.3525 1369:10 ----- 5.41, 6.84 A assign (resid 90 and name HG2*) (resid 93 and name HN) 4.15 2.35 2.35 ! 0.0000 1370:10 Mid 5.95, 6.53 A assign (resid 102 and name HG11) (resid 106 and name HN) 3.65 1.85 1.85 ! 0.3821 1371:10 Ambig 6.50, 6.96 A or (resid 107 and name HD1*) (resid 106 and name HN) ! 0.3345 1371:10 ----- 6.65, 7.33 A or (resid 107 and name HD2*) (resid 106 and name HN) ! 0.2834 1371:10 ----- 6.83, 7.41 A assign (resid 104 and name HD1*) (resid 15 and name HN) 3.65 1.85 1.85 ! 0.5022 1372:10 Ambig 5.07, 6.67 A or (resid 104 and name HG2*) (resid 15 and name HN) ! 0.4978 1372:10 ----- 5.08, 6.24 A assign (resid 51 and name HG2*) (resid 52 and name HN) 2.65 0.85 0.85 ! 0.7360 1373:10 Ambig 3.83, 4.50 A or (resid 51 and name HD1*) (resid 52 and name HN) ! 0.2403 1373:10 ----- 4.61, 5.52 A assign (resid 52 and name HG2*) (resid 32 and name HN) 3.15 1.35 1.35 ! 0.5112 1374:10 Ambig 4.05, 5.38 A or (resid 52 and name HG1*) (resid 32 and name HN) ! 0.4487 1374:10 ----- 4.14, 6.62 A assign (resid 73 and name HG2*) (resid 94 and name HN) 2.65 0.85 0.85 ! 0.6255 1375:10 Ambig 3.91, 4.71 A or (resid 90 and name HG1*) (resid 94 and name HN) ! 0.2877 1375:10 ----- 4.45, 5.33 A or (resid 91 and name HG2*) (resid 94 and name HN) ! 0.0867 1375:10 ----- 5.43, 6.19 A assign (resid 91 and name HG2*) (resid 92 and name HN) 2.65 0.85 0.85 ! 0.0000 1376:10 Seq 3.27, 4.12 A assign (resid 4 and name HG2*) (resid 77 and name HN) 3.15 1.35 1.35 ! 0.5448 1377:10 Ambig 4.91, 6.02 A or (resid 74 and name HB2) (resid 77 and name HN) ! 0.3850 1377:10 ----- 5.20, 5.38 A or (resid 83 and name HB1) (resid 77 and name HN) ! 0.0702 1377:10 ----- 6.90, 7.32 A assign (resid 102 and name HD1*) (resid 104 and name HN) 4.15 2.35 2.35 ! 0.7631 1378:10 Ambig 5.13, 5.89 A or (resid 16 and name HD1*) (resid 104 and name HN) ! 0.2369 1378:10 ----- 6.23, 7.44 A assign (resid 50 and name HG1*) (resid 50 and name HN) 3.15 1.35 1.35 ! 0.9380 1379:10 Ambig 4.36, 4.57 A or (resid 46 and name HD1*) (resid 50 and name HN) ! 0.0620 1379:10 ----- 6.86, 7.45 A assign (resid 46 and name HD1*) (resid 45 and name HN) 3.65 1.85 1.85 ! 0.6607 1380:10 Ambig 5.43, 6.30 A or (resid 50 and name HG1*) (resid 45 and name HN) ! 0.3393 1380:10 ----- 6.07, 7.13 A assign (resid 5 and name HG11) (resid 3 and name HN) 3.65 1.85 1.85 ! 0.4534 1381:10 Ambig 5.64, 6.37 A or (resid 26 and name HG1*) (resid 3 and name HN) ! 0.3598 1381:10 ----- 5.86, 6.49 A or (resid 4 and name HG1*) (resid 3 and name HN) ! 0.1868 1381:10 ----- 6.54, 7.17 A assign (resid 46 and name HD2*) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.6347 1382:10 Ambig 5.05, 5.66 A or (resid 17 and name HD2*) (resid 47 and name HN) ! 0.3653 1382:10 ----- 5.53, 6.42 A assign (resid 46 and name HD2*) (resid 46 and name HN) 2.65 0.85 0.85 ! 0.9494 1383:10 Ambig 3.25, 4.08 A or (resid 17 and name HD2*) (resid 46 and name HN) ! 0.0506 1383:10 ----- 5.30, 5.88 A assign (resid 91 and name HD1*) (resid 85 and name HN) 3.65 1.85 1.85 ! 0.8258 1384:10 Ambig 3.65, 4.90 A or (resid 83 and name HD2*) (resid 85 and name HN) ! 0.1080 1384:10 ----- 5.12, 6.20 A or (resid 82 and name HD1*) (resid 85 and name HN) ! 0.0663 1384:10 ----- 5.55, 6.67 A assign (resid 27 and name HD1*) (resid 27 and name HN) 3.65 1.85 1.85 ! 0.7766 1385:10 Ambig 4.72, 5.42 A or (resid 42 and name HD1*) (resid 27 and name HN) ! 0.2234 1385:10 ----- 5.80, 6.99 A assign (resid 108 and name HD2*) (resid 108 and name HN) 2.65 0.85 0.85 ! 0.4654 1386:10 Ambig 3.37, 4.19 A or (resid 73 and name HG2*) (resid 74 and name HN) ! 0.3977 1386:10 ----- 3.46, 4.27 A or (resid 102 and name HD1*) (resid 108 and name HN) ! 0.0529 1386:10 ----- 4.84, 5.75 A or (resid 83 and name HD1*) (resid 74 and name HN) ! 0.0217 1386:10 ----- 5.61, 6.60 A or (resid 99 and name HG2*) (resid 74 and name HN) ! 0.0179 1386:10 ----- 5.80, 7.37 A assign (resid 16 and name HG11) (resid 16 and name HN) 3.15 1.35 1.35 ! 0.0000 1387:10 Intra 3.05, 3.19 A assign (resid 76 and name HB*) (resid 73 and name HN) 3.65 1.85 1.85 ! 0.0000 1388:10 Mid 4.96, 5.76 A assign (resid 107 and name HB2) (resid 108 and name HN) 3.15 1.35 1.35 ! 0.7697 1389:10 Ambig 3.67, 3.77 A or (resid 109 and name HB*) (resid 108 and name HN) ! 0.1723 1389:10 ----- 4.71, 5.41 A or (resid 104 and name HG11) (resid 108 and name HN) ! 0.0246 1389:10 ----- 6.51, 6.74 A assign (resid 37 and name HG1) (resid 38 and name HN) 3.15 1.35 1.35 ! 0.0000 1390:10 Seq 2.41, 2.88 A assign (resid 94 and name HB*) (resid 97 and name HN) 3.15 1.35 1.35 ! 0.0000 1391:10 Mid 4.98, 5.37 A assign (resid 74 and name HB1) (resid 74 and name HN) 3.15 1.35 1.35 ! 0.0000 1392:10 Intra 3.59, 3.62 A assign (resid 40 and name HG12) (resid 38 and name HN) 4.15 2.35 2.35 ! 0.0000 1393:10 Mid 5.58, 5.84 A assign (resid 107 and name HD1*) (resid 108 and name HN) 2.65 0.85 0.85 ! 0.7169 1394:10 Ambig 3.33, 4.20 A or (resid 75 and name HG2*) (resid 74 and name HN) ! 0.1325 1394:10 ----- 4.41, 5.60 A or (resid 107 and name HD2*) (resid 108 and name HN) ! 0.1045 1394:10 ----- 4.59, 5.47 A assign (resid 50 and name HB) (resid 48 and name HN) 3.65 1.85 1.85 ! 0.0000 1395:10 Mid 4.94, 5.13 A assign (resid 55 and name HN) (resid 54 and name HN) 3.65 1.85 1.85 ! 0.0000 1396:10 Seq 4.23, 4.42 A assign (resid 100 and name HN) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.0000 1397:10 Long 3.96, 4.22 A assign (resid 27 and name HN) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.0000 1398:10 Long 4.57, 4.66 A assign (resid 46 and name HN) (resid 50 and name HN) 3.65 1.85 1.85 ! 0.5632 1400:10 Ambig 4.43, 4.56 A or (resid 47 and name HN) (resid 50 and name HN) ! 0.4368 1400:10 ----- 4.62, 4.82 A assign (resid 6 and name HN) (resid 10 and name HN) 4.15 2.35 2.35 ! 0.0000 1402:10 Mid 5.72, 6.14 A assign (resid 91 and name HN) (resid 89 and name HN) 3.15 1.35 1.35 ! 0.8138 1403:10 Ambig 3.80, 3.93 A or (resid 64 and name HD21) (resid 89 and name HN) ! 0.1862 1403:10 ----- 4.86, 7.14 A assign (resid 92 and name HD21) (resid 93 and name HN) 3.65 1.85 1.85 ! 0.9874 1404:10 Seq 1.99, 3.19 A assign (resid 38 and name HN) (resid 36 and name HN) 3.65 1.85 1.85 ! 0.6438 1405:10 Ambig 4.01, 4.11 A or (resid 33 and name HN) (resid 36 and name HN) ! 0.2926 1405:10 ----- 4.58, 4.68 A or (resid 91 and name HN) (resid 95 and name HN) ! 0.0636 1405:10 ----- 5.91, 6.05 A assign (resid 96 and name HN) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.6187 1406:10 Ambig 3.95, 4.08 A or (resid 92 and name HD21) (resid 94 and name HN) ! 0.2881 1406:10 ----- 4.49, 5.57 A or (resid 90 and name HN) (resid 94 and name HN) ! 0.0575 1406:10 ----- 5.87, 6.03 A assign (resid 2 and name HD*) (resid 24 and name HN) 3.65 1.85 1.85 ! 0.7118 1407:10 Ambig 4.16, 5.44 A or (resid 55 and name HD*) (resid 76 and name HN) ! 0.1798 1407:10 ----- 5.24, 7.50 A or (resid 55 and name HE*) (resid 76 and name HN) ! 0.1084 1407:10 ----- 5.70, 7.98 A assign (resid 13 and name HN) (resid 16 and name HN) 3.65 1.85 1.85 ! 0.0000 1408:10 Mid 4.91, 5.07 A assign (resid 79 and name HD1*) (resid 3 and name HN) 3.65 1.85 1.85 ! 0.0000 1413:10 Long 5.19, 6.13 A assign (resid 93 and name HG2) (resid 92 and name HD21) 3.65 1.85 1.85 ! 0.9037 1415:10 Ambig 2.15, 4.33 A or (resid 93 and name HD1) (resid 92 and name HD21) ! 0.0909 1415:10 ----- 3.15, 5.24 A assign (resid 102 and name HG12) (resid 100 and name HD21) 3.65 1.85 1.85 ! 0.9839 1416:10 Mid 3.33, 4.57 A assign (resid 65 and name HB2) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.0000 1417:10 Long 3.85, 4.70 A assign (resid 30 and name HD1*) (resid 67 and name HE22) 4.15 2.35 2.35 ! 0.0000 1418:10 Long 3.33, 6.02 A assign (resid 102 and name HD1*) (resid 110 and name HN) 3.65 1.85 1.85 ! 0.5881 1419:10 Ambig 5.03, 6.74 A or (resid 108 and name HD2*) (resid 110 and name HN) ! 0.3354 1419:10 ----- 5.52, 6.75 A or (resid 108 and name HD1*) (resid 110 and name HN) ! 0.0766 1419:10 ----- 7.06, 7.67 A assign (resid 30 and name HD1*) (resid 31 and name HN) 3.65 1.85 1.85 ! 0.5442 1420:10 Ambig 5.04, 5.87 A or (resid 52 and name HG2*) (resid 31 and name HN) ! 0.4558 1420:10 ----- 5.20, 6.93 A assign (resid 99 and name HG2*) (resid 80 and name HD21) 3.65 1.85 1.85 ! 0.6937 1421:10 Ambig 4.18, 6.40 A or (resid 99 and name HG1*) (resid 80 and name HD21) ! 0.3063 1421:10 ----- 4.79, 6.89 A assign (resid 27 and name HD1*) (resid 31 and name HN) 3.65 1.85 1.85 ! 0.9752 1423:10 Mid 3.76, 5.08 A assign (resid 107 and name HD1*) (resid 17 and name HN) 3.65 1.85 1.85 ! 0.4048 1424:10 Ambig 5.36, 6.20 A or (resid 50 and name HG2*) (resid 17 and name HN) ! 0.2053 1424:10 ----- 6.01, 6.58 A or (resid 104 and name HD1*) (resid 17 and name HN) ! 0.1873 1424:10 ----- 6.10, 7.76 A or (resid 5 and name HG2*) (resid 17 and name HN) ! 0.1067 1424:10 ----- 6.70, 7.95 A or (resid 104 and name HG12) (resid 17 and name HN) ! 0.0958 1424:10 ----- 6.82, 7.30 A assign (resid 54 and name HB*) (resid 55 and name HN) 2.65 0.85 0.85 ! 0.9470 1425:10 Ambig 2.60, 3.64 A or (resid 53 and name HG*) (resid 55 and name HN) ! 0.0496 1425:10 ----- 4.25, 5.64 A assign (resid 43 and name HA) (resid 44 and name HN) 3.15 1.35 1.35 ! 0.9844 1426:10 Seq 3.45, 3.51 A assign (resid 92 and name HN) (resid 89 and name HN) 3.65 1.85 1.85 ! 0.8379 1428:10 Ambig 4.30, 4.47 A or (resid 93 and name HN) (resid 89 and name HN) ! 0.1621 1428:10 ----- 5.65, 5.79 A assign (resid 23 and name HE*) (resid 20 and name HD22) 3.15 1.35 1.35 ! 0.5122 1432:10 Ambig 1.79, 4.21 A or (resid 23 and name HD*) (resid 20 and name HD22) ! 0.4245 1432:10 ----- 1.85, 4.90 A or (resid 23 and name HE*) (resid 22 and name HD21) ! 0.0466 1432:10 ----- 2.67, 5.91 A assign (resid 82 and name HA) (resid 83 and name HN) 2.30 0.50 0.50 ! 0.9922 1433:10 Seq 2.17, 2.26 A assign (resid 89 and name HA) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.0000 1434:10 Mid 2.73, 3.06 A assign (resid 50 and name HA) (resid 50 and name HN) 2.65 0.85 0.85 ! 0.9961 1435:10 Intra 2.86, 2.88 A assign (resid 5 and name HA) (resid 85 and name HN) 3.65 1.85 1.85 ! 0.5387 1436:10 Ambig 5.53, 5.81 A or (resid 8 and name HB2) (resid 85 and name HN) ! 0.4613 1436:10 ----- 5.67, 6.70 A assign (resid 18 and name HA1) (resid 17 and name HN) 3.65 1.85 1.85 ! 0.8720 1437:10 Ambig 4.68, 4.91 A or (resid 21 and name HA) (resid 17 and name HN) ! 0.1280 1437:10 ----- 6.45, 7.03 A assign (resid 29 and name HA) (resid 33 and name HN) 3.15 1.35 1.35 ! 0.9608 1441:10 Mid 3.95, 4.17 A assign (resid 2 and name HB*) (resid 2 and name HN) 3.65 1.85 1.85 ! 0.9964 1442:10 Intra 2.43, 3.04 A assign (resid 67 and name HB1) (resid 67 and name HE21) 3.65 1.85 1.85 ! 0.0000 1446:10 Intra 2.65, 3.41 A assign (resid 30 and name HG) (resid 55 and name HN) 4.15 2.35 2.35 ! 0.6502 1448:10 Ambig 4.93, 5.95 A or (resid 75 and name HB) (resid 55 and name HN) ! 0.3498 1448:10 ----- 5.47, 6.09 A assign (resid 51 and name HB) (resid 52 and name HN) 2.65 0.85 0.85 ! 0.6176 1449:10 Ambig 2.38, 2.57 A or (resid 52 and name HB) (resid 52 and name HN) ! 0.3824 1449:10 ----- 2.58, 2.81 A assign (resid 58 and name HB*) (resid 58 and name HN) 3.65 1.85 1.85 ! 0.0000 1450:10 Intra 2.35, 3.05 A assign (resid 93 and name HA) (resid 92 and name HD21) 3.65 1.85 1.85 ! 0.9917 1452:10 Seq 2.78, 3.37 A assign (resid 30 and name HG) (resid 29 and name HN) 3.65 1.85 1.85 ! 0.7423 1453:10 Ambig 4.07, 4.56 A or (resid 71 and name HB*) (resid 29 and name HN) ! 0.2577 1453:10 ----- 4.86, 5.71 A assign (resid 104 and name HB) (resid 104 and name HN) 2.65 0.85 0.85 ! 0.9924 1454:10 Intra 2.27, 2.36 A assign (resid 88 and name HG1) (resid 89 and name HN) 3.65 1.85 1.85 ! 0.8613 1456:10 Ambig 1.95, 4.56 A or (resid 88 and name HG2) (resid 89 and name HN) ! 0.1383 1456:10 ----- 2.64, 4.70 A assign (resid 88 and name HG2) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.4045 1457:10 Ambig 4.16, 6.07 A or (resid 88 and name HG1) (resid 92 and name HN) ! 0.2358 1457:10 ----- 4.55, 5.88 A or (resid 91 and name HG12) (resid 92 and name HN) ! 0.1631 1457:10 ----- 4.84, 4.93 A or (resid 93 and name HB1) (resid 92 and name HN) ! 0.1406 1457:10 ----- 4.96, 5.61 A or (resid 93 and name HD2) (resid 92 and name HN) ! 0.0560 1457:10 ----- 5.78, 7.09 A assign (resid 40 and name HG12) (resid 41 and name HN) 3.65 1.85 1.85 ! 0.0000 1458:10 Seq 4.15, 4.35 A assign (resid 99 and name HG2*) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.5487 1459:10 Ambig 4.50, 5.73 A or (resid 99 and name HG1*) (resid 80 and name HN) ! 0.3510 1459:10 ----- 4.85, 6.17 A or (resid 75 and name HG1*) (resid 80 and name HN) ! 0.1003 1459:10 ----- 5.97, 7.04 A assign (resid 61 and name HG2) (resid 62 and name HN) 3.65 1.85 1.85 ! 0.9181 1460:10 Ambig 3.23, 4.21 A or (resid 93 and name HG1) (resid 62 and name HN) ! 0.0819 1460:10 ----- 4.83, 7.62 A assign (resid 32 and name HG1*) (resid 32 and name HN) 2.30 0.50 0.50 ! 0.9984 1461:10 Intra 2.20, 3.19 A assign (resid 75 and name HG2*) (resid 54 and name HN) 4.15 2.35 2.35 ! 0.7353 1462:10 Ambig 4.45, 5.62 A or (resid 28 and name HG2*) (resid 54 and name HN) ! 0.2647 1462:10 ----- 5.28, 6.92 A assign (resid 112 and name HD2*) (resid 112 and name HN) 3.65 1.85 1.85 ! 0.7661 1464:10 Ambig 1.86, 4.35 A or (resid 112 and name HD1*) (resid 112 and name HN) ! 0.2339 1464:10 ----- 2.27, 4.68 A assign (resid 30 and name HD1*) (resid 71 and name HN) 3.15 1.35 1.35 ! 0.0000 1465:10 Long 3.36, 4.62 A assign (resid 40 and name HD1*) (resid 41 and name HN) 3.65 1.85 1.85 ! 0.0000 1466:10 Seq 5.28, 5.99 A assign (resid 73 and name HD1*) (resid 71 and name HN) 3.65 1.85 1.85 ! 0.5182 1467:10 Ambig 5.51, 6.81 A or (resid 62 and name HG2*) (resid 71 and name HN) ! 0.2632 1467:10 ----- 6.17, 7.35 A or (resid 90 and name HG1*) (resid 71 and name HN) ! 0.2186 1467:10 ----- 6.37, 7.97 A assign (resid 65 and name HD1*) (resid 89 and name HN) 4.15 2.35 2.35 ! 0.6945 1468:10 Ambig 4.60, 6.51 A or (resid 91 and name HD1*) (resid 89 and name HN) ! 0.3055 1468:10 ----- 5.28, 6.42 A assign (resid 46 and name HD2*) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.8510 1469:10 Ambig 3.51, 4.71 A or (resid 26 and name HG1*) (resid 52 and name HN) ! 0.1490 1469:10 ----- 4.69, 5.96 A assign (resid 78 and name HN) (resid 79 and name HN) 2.65 0.85 0.85 ! 0.0000 1470:10 Seq 2.53, 2.69 A assign (resid 104 and name HN) (resid 85 and name HN) 3.65 1.85 1.85 ! 0.0000 1471:10 Long 4.36, 4.56 A assign (resid 86 and name HB1) (resid 10 and name HN) 4.15 2.35 2.35 ! 0.6036 1476:10 Ambig 6.18, 6.73 A or (resid 5 and name HB) (resid 10 and name HN) ! 0.3964 1476:10 ----- 6.63, 7.16 A assign (resid 26 and name HB) (resid 26 and name HN) 2.65 0.85 0.85 ! 0.9766 1477:10 Intra 2.56, 2.63 A assign (resid 65 and name HB2) (resid 62 and name HN) 4.15 2.35 2.35 ! 0.0000 1480:10 Mid 4.01, 5.40 A assign (resid 54 and name HB*) (resid 29 and name HN) 3.65 1.85 1.85 ! 0.9834 1481:10 Long 2.45, 4.58 A assign (resid 50 and name HG2*) (resid 48 and name HN) 3.15 1.35 1.35 ! 0.9583 1482:10 Mid 4.23, 5.56 A assign (resid 95 and name HN) (resid 99 and name HN) 3.65 1.85 1.85 ! 0.8086 1484:10 Ambig 4.55, 4.75 A or (resid 94 and name HN) (resid 99 and name HN) ! 0.1432 1484:10 ----- 6.07, 6.23 A assign (resid 91 and name HN) (resid 94 and name HN) 3.65 1.85 1.85 ! 0.0000 1485:10 Mid 4.80, 4.91 A assign (resid 6 and name HA) (resid 71 and name HN) 4.15 2.35 2.35 ! 0.5155 1486:10 Ambig 6.95, 7.18 A or (resid 74 and name HA) (resid 71 and name HN) ! 0.4845 1486:10 ----- 7.03, 7.22 A assign (resid 92 and name HA) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.7238 1487:10 Ambig 4.39, 4.59 A or (resid 95 and name HA) (resid 94 and name HN) ! 0.2762 1487:10 ----- 5.15, 5.20 A assign (resid 12 and name HG1) (resid 12 and name HN) 2.65 0.85 0.85 ! 0.9590 1490:10 Intra 2.37, 2.94 A assign (resid 35 and name HN) (resid 33 and name HN) 3.65 1.85 1.85 ! 0.0000 1491:10 Mid 3.95, 4.09 A assign (resid 75 and name HN) (resid 74 and name HN) 2.65 0.85 0.85 ! 0.9510 1492:10 Seq 2.64, 2.71 A assign (resid 5 and name HN) (resid 26 and name HN) 2.65 0.85 0.85 ! 0.7043 1493:10 Ambig 3.33, 3.49 A or (resid 27 and name HN) (resid 26 and name HN) ! 0.1560 1493:10 ----- 4.28, 4.31 A or (resid 25 and name HN) (resid 26 and name HN) ! 0.1396 1493:10 ----- 4.35, 4.47 A assign (resid 80 and name HN) (resid 78 and name HN) 3.15 1.35 1.35 ! 0.9903 1494:10 Mid 3.62, 3.78 A assign (resid 51 and name HN) (resid 52 and name HN) 3.65 1.85 1.85 ! 0.9121 1495:10 Ambig 4.49, 4.52 A or (resid 54 and name HN) (resid 52 and name HN) ! 0.0879 1495:10 ----- 6.64, 6.99 A assign (resid 85 and name HN) (resid 104 and name HN) 3.65 1.85 1.85 ! 0.0000 1496:10 Long 4.36, 4.56 A assign (resid 76 and name HN) (resid 77 and name HN) 2.65 0.85 0.85 ! 0.0000 1498:10 Seq 2.51, 2.57 A assign (resid 10 and name HN) (resid 8 and name HN) 3.65 1.85 1.85 ! 0.0000 1500:10 Mid 4.14, 4.33 A assign (resid 33 and name HN) (resid 32 and name HN) 2.65 0.85 0.85 ! 0.0000 1501:10 Seq 2.64, 2.72 A assign (resid 73 and name HN) (resid 70 and name HN) 3.65 1.85 1.85 ! 0.7974 1502:10 Ambig 4.63, 4.74 A or (resid 74 and name HN) (resid 70 and name HN) ! 0.2026 1502:10 ----- 5.82, 5.95 A assign (resid 37 and name HN) (resid 33 and name HN) 4.15 2.35 2.35 ! 0.0000 1503:10 Mid 5.94, 6.11 A assign (resid 10 and name HE*) (resid 35 and name HN) 3.65 1.85 1.85 ! 0.0000 1508:10 Long 2.29, 4.67 A assign (resid 48 and name HN) (resid 50 and name HN) 3.15 1.35 1.35 ! 0.0000 1509:10 Mid 3.55, 3.74 A assign (resid 2 and name HD*) (resid 3 and name HN) 3.15 1.35 1.35 ! 0.0000 1510:10 Seq 3.71, 4.84 A assign (resid 101 and name HA) (resid 85 and name HN) 3.65 1.85 1.85 ! 0.0000 1516:10 Long 4.51, 4.91 A assign (resid 25 and name HA) (resid 51 and name HN) 3.65 1.85 1.85 ! 0.0000 1517:10 Long 4.94, 5.12 A assign (resid 25 and name HA) (resid 27 and name HN) 4.15 2.35 2.35 ! 0.0000 1518:10 Mid 5.88, 6.02 A assign (resid 26 and name HA) (resid 3 and name HN) 4.15 2.35 2.35 ! 0.7590 1520:10 Ambig 5.45, 5.56 A or (resid 83 and name HA) (resid 3 and name HN) ! 0.2410 1520:10 ----- 6.60, 6.77 A assign (resid 83 and name HA) (resid 6 and name HN) 3.65 1.85 1.85 ! 0.7904 1521:10 Ambig 4.90, 5.21 A or (resid 69 and name HA) (resid 6 and name HN) ! 0.2096 1521:10 ----- 6.11, 6.54 A assign (resid 50 and name HN) (resid 48 and name HN) 3.15 1.35 1.35 ! 0.0000 1530:10 Mid 3.55, 3.74 A assign (resid 60 and name HA) (resid 61 and name HN) 2.65 0.85 0.85 ! 0.9979 1537:10 Seq 2.12, 2.22 A assign (resid 109 and name HA) (resid 109 and name HN) 2.65 0.85 0.85 ! 0.0000 1539:10 Intra 2.81, 2.85 A assign (resid 97 and name HA) (resid 96 and name HN) 3.65 1.85 1.85 ! 0.4093 1541:10 Ambig 5.10, 5.21 A or (resid 8 and name HB2) (resid 90 and name HN) ! 0.2193 1541:10 ----- 5.65, 6.48 A or (resid 98 and name HA2) (resid 96 and name HN) ! 0.1999 1541:10 ----- 5.74, 5.95 A or (resid 65 and name HA) (resid 90 and name HN) ! 0.1715 1541:10 ----- 5.89, 6.54 A assign (resid 106 and name HA) (resid 109 and name HN) 2.65 0.85 0.85 ! 0.6802 1542:10 Ambig 2.85, 3.20 A or (resid 108 and name HA) (resid 109 and name HN) ! 0.2271 1542:10 ----- 3.42, 3.50 A or (resid 107 and name HA) (resid 109 and name HN) ! 0.0926 1542:10 ----- 3.97, 4.30 A assign (resid 11 and name HA2) (resid 14 and name HN) 3.65 1.85 1.85 ! 0.6628 1543:10 Ambig 4.48, 5.19 A or (resid 15 and name HA) (resid 14 and name HN) ! 0.3372 1543:10 ----- 5.02, 5.19 A assign (resid 33 and name HB*) (resid 34 and name HN) 2.65 0.85 0.85 ! 0.8548 1544:10 Ambig 2.51, 3.41 A or (resid 39 and name HA1) (resid 40 and name HN) ! 0.1364 1544:10 ----- 3.41, 3.49 A assign (resid 44 and name HB*) (resid 43 and name HN) 4.15 2.35 2.35 ! 0.0000 1545:10 Seq 4.59, 5.43 A assign (resid 15 and name HA) (resid 16 and name HN) 3.15 1.35 1.35 ! 0.0000 1546:10 Seq 3.52, 3.54 A assign (resid 103 and name HD1) (resid 104 and name HN) 4.15 2.35 2.35 ! 0.0000 1547:10 Seq 5.50, 5.69 A assign (resid 63 and name HA1) (resid 65 and name HN) 3.65 1.85 1.85 ! 0.6008 1548:10 Ambig 4.03, 5.02 A or (resid 63 and name HA2) (resid 65 and name HN) ! 0.3992 1548:10 ----- 4.31, 4.58 A assign (resid 90 and name HA) (resid 94 and name HN) 3.15 1.35 1.35 ! 0.9199 1550:10 Ambig 3.83, 4.07 A or (resid 73 and name HA) (resid 94 and name HN) ! 0.0801 1550:10 ----- 5.75, 6.18 A assign (resid 10 and name HB2) (resid 12 and name HN) 3.65 1.85 1.85 ! 0.0000 1551:10 Mid 4.96, 5.21 A assign (resid 10 and name HB2) (resid 13 and name HN) 4.15 2.35 2.35 ! 0.0000 1552:10 Mid 5.55, 6.07 A assign (resid 55 and name HB2) (resid 55 and name HN) 2.65 0.85 0.85 ! 0.6526 1553:10 Ambig 2.19, 2.64 A or (resid 55 and name HB1) (resid 55 and name HN) ! 0.3402 1553:10 ----- 2.44, 2.68 A assign (resid 91 and name HA) (resid 92 and name HN) 3.15 1.35 1.35 ! 0.0000 1554:10 Seq 3.50, 3.53 A assign (resid 76 and name HA) (resid 76 and name HN) 2.30 0.50 0.50 ! 0.7877 1555:10 Ambig 2.80, 2.82 A or (resid 75 and name HA) (resid 76 and name HN) ! 0.2103 1555:10 ----- 3.49, 3.52 A assign (resid 16 and name HA) (resid 16 and name HN) 3.15 1.35 1.35 ! 0.0000 1559:10 Intra 2.77, 2.82 A assign (resid 48 and name HD2) (resid 47 and name HN) 4.15 2.35 2.35 ! 0.0000 1561:10 Seq 5.86, 6.29 A assign (resid 20 and name HB2) (resid 19 and name HN) 4.15 2.35 2.35 ! 0.0000 1562:10 Seq 4.29, 4.78 A assign (resid 86 and name HG2) (resid 104 and name HN) 2.65 0.85 0.85 ! 0.3911 1566:10 Ambig 2.63, 3.42 A or (resid 103 and name HB2) (resid 104 and name HN) ! 0.3758 1566:10 ----- 2.65, 3.03 A or (resid 103 and name HB1) (resid 104 and name HN) ! 0.2260 1566:10 ----- 2.89, 3.13 A assign (resid 1 and name HG1) (resid 81 and name HN) 4.15 2.35 2.35 ! 0.6896 1567:10 Ambig 5.37, 6.08 A or (resid 78 and name HB1) (resid 81 and name HN) ! 0.3104 1567:10 ----- 6.13, 6.78 A assign (resid 91 and name HB) (resid 102 and name HN) 4.15 2.35 2.35 ! 0.5176 1568:10 Ambig 6.31, 6.61 A or (resid 107 and name HG) (resid 102 and name HN) ! 0.4824 1568:10 ----- 6.39, 6.77 A assign (resid 107 and name HB1) (resid 110 and name HN) 3.65 1.85 1.85 ! 0.5398 1569:10 Ambig 5.20, 5.37 A or (resid 106 and name HB2) (resid 110 and name HN) ! 0.4602 1569:10 ----- 5.34, 6.19 A assign (resid 1 and name HE*) (resid 80 and name HN) 4.15 2.35 2.35 ! 0.0000 1570:10 Long 6.56, 7.71 A assign (resid 36 and name HG12) (resid 42 and name HN) 4.15 2.35 2.35 ! 0.5419 1571:10 Ambig 5.56, 6.30 A or (resid 46 and name HG) (resid 42 and name HN) ! 0.4581 1571:10 ----- 5.72, 5.95 A assign (resid 15 and name HB1) (resid 19 and name HN) 3.65 1.85 1.85 ! 0.6408 1573:10 Ambig 4.81, 5.10 A or (resid 16 and name HG12) (resid 19 and name HN) ! 0.2037 1573:10 ----- 5.82, 6.07 A or (resid 108 and name HG) (resid 19 and name HN) ! 0.0893 1573:10 ----- 6.68, 7.04 A or (resid 14 and name HB2) (resid 19 and name HN) ! 0.0662 1573:10 ----- 7.02, 7.51 A assign (resid 6 and name HA) (resid 73 and name HN) 3.65 1.85 1.85 ! 0.5257 1574:10 Ambig 5.14, 5.40 A or (resid 74 and name HA) (resid 73 and name HN) ! 0.4743 1574:10 ----- 5.23, 5.34 A assign (resid 48 and name HD2) (resid 48 and name HN) 3.15 1.35 1.35 ! 0.7766 1575:10 Ambig 3.96, 4.15 A or (resid 48 and name HD1) (resid 48 and name HN) ! 0.2234 1575:10 ----- 4.87, 4.97 A assign (resid 22 and name HB1) (resid 22 and name HD21) 3.15 1.35 1.35 ! 0.9474 1577:10 Ambig 2.14, 2.69 A or (resid 80 and name HB1) (resid 80 and name HD22) ! 0.0526 1577:10 ----- 3.46, 3.84 A assign (resid 67 and name HG1) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.0000 1578:10 Seq 2.84, 4.68 A assign (resid 17 and name HB2) (resid 17 and name HN) 2.30 0.50 0.50 ! 0.8928 1580:10 Ambig 2.20, 2.47 A or (resid 16 and name HB) (resid 17 and name HN) ! 0.0523 1580:10 ----- 3.53, 3.68 A or (resid 17 and name HG) (resid 17 and name HN) ! 0.0368 1580:10 ----- 3.74, 4.36 A assign (resid 40 and name HB) (resid 41 and name HN) 3.65 1.85 1.85 ! 0.0000 1582:10 Seq 3.63, 3.93 A assign (resid 109 and name HB*) (resid 109 and name HN) 2.30 0.50 0.50 ! 0.9978 1584:10 Intra 2.48, 2.91 A assign (resid 40 and name HG11) (resid 40 and name HN) 2.30 0.50 0.50 ! 0.9804 1585:10 Intra 2.23, 2.49 A assign (resid 27 and name HG2*) (resid 26 and name HN) 3.65 1.85 1.85 ! 0.5481 1586:10 Ambig 5.74, 6.75 A or (resid 27 and name HG12) (resid 26 and name HN) ! 0.4519 1586:10 ----- 5.93, 7.29 A assign (resid 84 and name HG12) (resid 82 and name HN) 4.15 2.35 2.35 ! 0.6907 1587:10 Ambig 6.67, 6.96 A or (resid 83 and name HG) (resid 82 and name HN) ! 0.3093 1587:10 ----- 7.63, 7.75 A assign (resid 85 and name HB*) (resid 91 and name HN) 4.15 2.35 2.35 ! 0.9631 1588:10 Long 3.65, 4.29 A assign (resid 32 and name HG2*) (resid 29 and name HN) 3.65 1.85 1.85 ! 0.6896 1589:10 Ambig 4.51, 5.54 A or (resid 30 and name HD2*) (resid 29 and name HN) ! 0.3104 1589:10 ----- 5.15, 6.55 A assign (resid 90 and name HG2*) (resid 89 and name HN) 3.65 1.85 1.85 ! 0.0000 1590:10 Seq 3.77, 4.96 A assign (resid 90 and name HG2*) (resid 65 and name HN) 4.15 2.35 2.35 ! 0.0000 1591:10 Long 6.34, 7.36 A assign (resid 99 and name HG1*) (resid 81 and name HN) 3.15 1.35 1.35 ! 0.7944 1592:10 Ambig 2.95, 4.35 A or (resid 99 and name HG2*) (resid 81 and name HN) ! 0.1690 1592:10 ----- 3.82, 5.26 A assign (resid 52 and name HG2*) (resid 29 and name HN) 3.15 1.35 1.35 ! 0.4948 1593:10 Ambig 3.66, 5.40 A or (resid 52 and name HG1*) (resid 29 and name HN) ! 0.4422 1593:10 ----- 3.73, 6.01 A or (resid 75 and name HG1*) (resid 29 and name HN) ! 0.0319 1593:10 ----- 5.79, 7.24 A assign (resid 73 and name HB) (resid 73 and name HN) 2.65 0.85 0.85 ! 0.9923 1594:10 Intra 2.44, 2.57 A assign (resid 49 and name HN) (resid 47 and name HN) 3.65 1.85 1.85 ! 0.6938 1596:10 Ambig 4.00, 4.08 A or (resid 44 and name HN) (resid 47 and name HN) ! 0.3062 1596:10 ----- 4.58, 4.66 A assign (resid 9 and name HA) (resid 9 and name HN) 3.15 1.35 1.35 ! 0.9969 1597:10 Intra 2.87, 2.92 A assign (resid 23 and name HB2) (resid 24 and name HN) 3.15 1.35 1.35 ! 0.0000 1598:10 Seq 3.64, 3.87 A assign (resid 64 and name HB2) (resid 64 and name HD21) 3.15 1.35 1.35 ! 0.5158 1599:10 Ambig 2.17, 2.74 A or (resid 20 and name HB1) (resid 20 and name HD21) ! 0.4842 1599:10 ----- 2.19, 2.89 A assign (resid 102 and name HG11) (resid 85 and name HN) 3.15 1.35 1.35 ! 0.3549 1600:10 Ambig 5.15, 5.42 A or (resid 83 and name HB1) (resid 85 and name HN) ! 0.3456 1600:10 ----- 5.17, 5.38 A or (resid 104 and name HD1*) (resid 85 and name HN) ! 0.2484 1600:10 ----- 5.47, 6.56 A or (resid 104 and name HG2*) (resid 85 and name HN) ! 0.0511 1600:10 ----- 7.11, 7.77 A assign (resid 46 and name HD1*) (resid 46 and name HN) 2.65 0.85 0.85 ! 0.8709 1601:10 Ambig 3.75, 4.34 A or (resid 50 and name HG1*) (resid 46 and name HN) ! 0.1291 1601:10 ----- 5.16, 5.81 A assign (resid 73 and name HD1*) (resid 95 and name HN) 3.65 1.85 1.85 ! 0.9191 1602:10 Ambig 5.03, 6.49 A or (resid 73 and name HG11) (resid 95 and name HN) ! 0.0809 1602:10 ----- 7.55, 7.81 A assign (resid 100 and name HN) (resid 100 and name HD21) 3.65 1.85 1.85 ! 0.0000 1603:10 Intra 4.53, 4.78 A assign (resid 83 and name HN) (resid 84 and name HN) 3.15 1.35 1.35 ! 0.0000 1605:10 Seq 4.24, 4.33 A assign (resid 3 and name HN) (resid 82 and name HN) 3.65 1.85 1.85 ! 0.0000 1606:10 Long 4.50, 4.61 A assign (resid 41 and name HA) (resid 43 and name HN) 3.15 1.35 1.35 ! 0.0000 1607:10 Mid 2.74, 3.25 A assign (resid 43 and name HA) (resid 43 and name HN) 2.65 0.85 0.85 ! 0.9972 1608:10 Intra 2.72, 2.80 A assign (resid 102 and name HA) (resid 102 and name HN) 3.15 1.35 1.35 ! 0.0000 1609:10 Intra 2.86, 2.88 A assign (resid 98 and name HA1) (resid 97 and name HN) 3.65 1.85 1.85 ! 0.0000 1611:10 Seq 5.02, 5.14 A assign (resid 11 and name HA2) (resid 12 and name HN) 3.15 1.35 1.35 ! 0.0000 1612:10 Seq 3.47, 3.49 A assign (resid 90 and name HA) (resid 93 and name HN) 3.65 1.85 1.85 ! 0.0000 1613:10 Mid 3.51, 3.67 A assign (resid 64 and name HB1) (resid 65 and name HN) 3.15 1.35 1.35 ! 0.0000 1614:10 Seq 2.01, 3.16 A assign (resid 90 and name HB) (resid 87 and name HN) 3.65 1.85 1.85 ! 0.8605 1615:10 Ambig 3.28, 3.52 A or (resid 86 and name HG1) (resid 87 and name HN) ! 0.1026 1615:10 ----- 4.67, 5.36 A assign (resid 69 and name HG1) (resid 69 and name HN) 3.15 1.35 1.35 ! 0.0000 1616:10 Intra 2.21, 3.28 A assign (resid 101 and name HB*) (resid 95 and name HN) 2.65 0.85 0.85 ! 0.5651 1617:10 Ambig 3.23, 4.24 A or (resid 36 and name HG11) (resid 36 and name HN) ! 0.2888 1617:10 ----- 3.61, 3.68 A or (resid 42 and name HG12) (resid 36 and name HN) ! 0.1308 1617:10 ----- 4.12, 4.99 A assign (resid 83 and name HB1) (resid 83 and name HN) 2.30 0.50 0.50 ! 0.9774 1618:10 Intra 2.54, 2.61 A assign (resid 40 and name HG2*) (resid 40 and name HN) 3.15 1.35 1.35 ! 0.0000 1619:10 Intra 4.32, 4.59 A assign (resid 30 and name HD2*) (resid 68 and name HN) 3.65 1.85 1.85 ! 0.8462 1620:10 Ambig 4.99, 6.35 A or (resid 7 and name HB1) (resid 68 and name HN) ! 0.1538 1620:10 ----- 6.63, 7.00 A assign (resid 10 and name HD*) (resid 10 and name HN) 3.15 1.35 1.35 ! 0.0000 1622:10 Intra 2.07, 3.76 A assign (resid 91 and name HN) (resid 93 and name HN) 3.65 1.85 1.85 ! 0.7613 1624:10 Ambig 4.24, 4.35 A or (resid 64 and name HD21) (resid 93 and name HN) ! 0.2387 1624:10 ----- 5.14, 7.54 A assign (resid 29 and name HG2*) (resid 55 and name HN) 3.65 1.85 1.85 ! 0.7607 1625:10 Ambig 4.54, 5.89 A or (resid 74 and name HB1) (resid 55 and name HN) ! 0.2393 1625:10 ----- 5.50, 6.66 A assign (resid 25 and name HD*) (resid 3 and name HN) 3.65 1.85 1.85 ! 0.0000 1626:10 Long 4.75, 5.51 A assign (resid 22 and name HB2) (resid 22 and name HD21) 3.15 1.35 1.35 ! 0.0000 1627:10 Intra 2.19, 2.84 A assign (resid 69 and name HN) (resid 70 and name HN) 2.65 0.85 0.85 ! 0.9983 1629:10 Seq 2.16, 2.35 A assign (resid 28 and name HA) (resid 53 and name HN) 3.15 1.35 1.35 ! 0.0000 1630:10 Long 2.45, 2.76 A assign (resid 76 and name HA) (resid 4 and name HN) 3.65 1.85 1.85 ! 0.9433 1631:10 Ambig 4.44, 4.79 A or (resid 72 and name HA) (resid 4 and name HN) ! 0.0567 1631:10 ----- 7.09, 7.37 A assign (resid 100 and name HB1) (resid 83 and name HN) 3.65 1.85 1.85 ! 0.0000 1632:10 Long 3.73, 3.95 A assign (resid 52 and name HG1*) (resid 54 and name HN) 3.15 1.35 1.35 ! 0.4506 1633:10 Ambig 4.08, 6.04 A or (resid 52 and name HG2*) (resid 54 and name HN) ! 0.3768 1633:10 ----- 4.20, 6.47 A or (resid 75 and name HG1*) (resid 54 and name HN) ! 0.1350 1633:10 ----- 4.98, 6.29 A assign (resid 33 and name HB*) (resid 32 and name HN) 3.65 1.85 1.85 ! 0.0000 1634:10 Seq 4.76, 5.48 A assign (resid 31 and name HA2) (resid 32 and name HN) 2.65 0.85 0.85 ! 0.8281 1635:10 Ambig 3.56, 3.57 A or (resid 33 and name HA) (resid 32 and name HN) ! 0.0798 1635:10 ----- 5.26, 5.31 A or (resid 29 and name HB) (resid 32 and name HN) ! 0.0772 1635:10 ----- 5.28, 5.50 A assign (resid 46 and name HN) (resid 45 and name HN) 2.65 0.85 0.85 ! 0.9184 1636:10 Ambig 2.41, 2.59 A or (resid 47 and name HN) (resid 45 and name HN) ! 0.0816 1636:10 ----- 3.61, 3.88 A assign (resid 86 and name HN) (resid 6 and name HN) 4.15 2.35 2.35 ! 0.0000 1637:10 Long 5.09, 5.52 A assign (resid 67 and name HA) (resid 69 and name HN) 3.65 1.85 1.85 ! 0.0000 1638:10 Mid 3.83, 4.16 A assign (resid 12 and name HA) (resid 15 and name HN) 3.15 1.35 1.35 ! 0.0000 1640:10 Mid 3.15, 3.42 A assign (resid 80 and name HD21) (resid 80 and name HN) 3.65 1.85 1.85 ! 0.9981 1641:10 Intra 2.19, 4.57 A assign (resid 4 and name HB) (resid 77 and name HN) 3.65 1.85 1.85 ! 0.4737 1642:10 Ambig 5.70, 5.99 A or (resid 73 and name HG12) (resid 77 and name HN) ! 0.3472 1642:10 ----- 6.00, 6.45 A or (resid 74 and name HG1) (resid 77 and name HN) ! 0.1790 1642:10 ----- 6.71, 6.85 A assign (resid 30 and name HN) (resid 29 and name HN) 3.65 1.85 1.85 ! 0.0000 1643:10 Seq 2.42, 2.62 A assign (resid 9 and name HN) (resid 10 and name HN) 2.30 0.50 0.50 ! 0.9809 1644:10 Seq 2.15, 2.44 A assign (resid 75 and name HG1*) (resid 79 and name HN) 3.15 1.35 1.35 ! 0.8076 1645:10 Ambig 4.15, 4.98 A or (resid 99 and name HG2*) (resid 79 and name HN) ! 0.1198 1645:10 ----- 5.71, 6.91 A or (resid 99 and name HG1*) (resid 79 and name HN) ! 0.0727 1645:10 ----- 6.21, 7.25 A assign (resid 72 and name HN) (resid 28 and name HN) 4.15 2.35 2.35 ! 0.0000 1646:10 Long 5.81, 6.11 A assign (resid 29 and name HN) (resid 28 and name HN) 3.65 1.85 1.85 ! 0.0000 1648:10 Seq 4.47, 4.51 A assign (resid 31 and name HN) (resid 28 and name HN) 3.65 1.85 1.85 ! 0.0000 1649:10 Mid 3.45, 3.65 A assign (resid 53 and name HN) (resid 28 and name HN) 3.65 1.85 1.85 ! 0.9599 1650:10 Long 4.60, 4.71 A assign (resid 31 and name HA1) (resid 28 and name HN) 3.65 1.85 1.85 ! 0.9485 1651:10 Ambig 2.75, 2.99 A or (resid 72 and name HA) (resid 28 and name HN) ! 0.0489 1651:10 ----- 4.51, 4.73 A assign (resid 6 and name HA) (resid 28 and name HN) 3.65 1.85 1.85 ! 0.8742 1652:10 Ambig 4.95, 5.35 A or (resid 30 and name HA) (resid 28 and name HN) ! 0.1258 1652:10 ----- 6.84, 7.04 A assign (resid 31 and name HA2) (resid 28 and name HN) 3.65 1.85 1.85 ! 0.9497 1653:10 Ambig 4.38, 4.64 A or (resid 29 and name HB) (resid 28 and name HN) ! 0.0503 1653:10 ----- 7.15, 7.39 A assign (resid 62 and name HB) (resid 63 and name HN) 3.65 1.85 1.85 ! 0.9889 1655:10 Seq 2.35, 3.08 A assign (resid 30 and name HN) (resid 31 and name HN) 3.15 1.35 1.35 ! 0.0000 1657:10 Seq 2.24, 2.42 A assign (resid 99 and name HA) (resid 101 and name HN) 3.65 1.85 1.85 ! 0.0000 1659:10 Mid 4.79, 5.16 A assign (resid 87 and name HB2) (resid 91 and name HN) 4.15 2.35 2.35 ! 0.0000 1661:10 Mid 5.49, 5.69 A assign (resid 80 and name HN) (resid 79 and name HN) 2.65 0.85 0.85 ! 0.0000 1662:10 Seq 2.12, 2.35 A assign (resid 26 and name HA) (resid 28 and name HN) 4.15 2.35 2.35 ! 0.6127 1663:10 Ambig 6.12, 6.27 A or (resid 69 and name HA) (resid 28 and name HN) ! 0.3873 1663:10 ----- 6.60, 7.52 A assign (resid 82 and name HB*) (resid 100 and name HD22) 4.15 2.35 2.35 ! 0.0000 1665:10 Long 5.48, 6.58 A assign (resid 102 and name HG12) (resid 100 and name HD22) 3.65 1.85 1.85 ! 0.0000 1666:10 Mid 2.84, 3.69 A assign (resid 1 and name HE*) (resid 100 and name HD21) 3.65 1.85 1.85 ! 0.0000 1667:10 Long 3.25, 5.00 A assign (resid 10 and name HN) (resid 11 and name HN) 3.65 1.85 1.85 ! 0.0000 1668:10 Seq 4.53, 4.58 A assign (resid 13 and name HB1) (resid 11 and name HN) 3.65 1.85 1.85 ! 0.9158 1669:10 Ambig 2.75, 4.31 A or (resid 14 and name HG1) (resid 11 and name HN) ! 0.0445 1669:10 ----- 4.56, 5.51 A assign (resid 40 and name HD1*) (resid 11 and name HN) 4.15 2.35 2.35 ! 0.0000 1670:10 Long 2.70, 5.06 A assign (resid 48 and name HD1) (resid 49 and name HN) 4.15 2.35 2.35 ! 0.0000 1671:10 Seq 6.19, 6.35 A assign (resid 30 and name HA) (resid 32 and name HN) 3.65 1.85 1.85 ! 0.0000 1673:10 Mid 4.41, 4.59 A assign (resid 51 and name HG11) (resid 51 and name HN) 2.65 0.85 0.85 ! 0.7783 1674:10 Ambig 2.83, 2.93 A or (resid 24 and name HG1) (resid 51 and name HN) ! 0.1341 1674:10 ----- 3.80, 4.38 A or (resid 24 and name HG2) (resid 51 and name HN) ! 0.0799 1674:10 ----- 4.14, 5.68 A assign (resid 81 and name HA) (resid 4 and name HN) 3.65 1.85 1.85 ! 0.0000 1675:10 Long 5.18, 5.43 A assign (resid 25 and name HA) (resid 4 and name HN) 3.65 1.85 1.85 ! 0.6960 1676:10 Ambig 4.96, 5.11 A or (resid 2 and name HA) (resid 4 and name HN) ! 0.3040 1676:10 ----- 5.69, 5.75 A assign (resid 34 and name HD*) (resid 34 and name HN) 3.15 1.35 1.35 ! 0.5416 1677:10 Ambig 4.56, 4.70 A or (resid 10 and name HZ) (resid 34 and name HN) ! 0.3847 1677:10 ----- 4.83, 5.31 A or (resid 68 and name HE*) (resid 34 and name HN) ! 0.0737 1677:10 ----- 6.36, 7.96 A assign (resid 6 and name HB2) (resid 9 and name HN) 2.65 0.85 0.85 ! 0.4578 1678:10 Ambig 3.07, 4.16 A or (resid 8 and name HA) (resid 9 and name HN) ! 0.3663 1678:10 ----- 3.19, 3.38 A or (resid 50 and name HA) (resid 25 and name HN) ! 0.1735 1678:10 ----- 3.61, 3.84 A assign (resid 6 and name HB1) (resid 9 and name HN) 3.15 1.35 1.35 ! 0.7757 1679:10 Ambig 3.20, 3.98 A or (resid 8 and name HB1) (resid 9 and name HN) ! 0.2243 1679:10 ----- 3.94, 4.30 A assign (resid 80 and name HB1) (resid 80 and name HD21) 2.65 0.85 0.85 ! 0.9420 1682:10 Ambig 2.14, 3.00 A or (resid 22 and name HB1) (resid 22 and name HD22) ! 0.0552 1682:10 ----- 3.44, 3.69 A assign (resid 24 and name HD2) (resid 25 and name HN) 3.15 1.35 1.35 ! 0.8378 1683:10 Ambig 2.58, 3.97 A or (resid 23 and name HB1) (resid 25 and name HN) ! 0.0466 1683:10 ----- 4.18, 4.78 A or (resid 24 and name HB2) (resid 25 and name HN) ! 0.0391 1683:10 ----- 4.30, 4.41 A or (resid 17 and name HG) (resid 25 and name HN) ! 0.0288 1683:10 ----- 4.52, 7.25 A assign (resid 83 and name HB2) (resid 83 and name HN) 2.65 0.85 0.85 ! 0.9692 1684:10 Intra 2.86, 2.93 A assign (resid 5 and name HG2*) (resid 9 and name HN) 3.15 1.35 1.35 ! 0.6332 1685:10 Ambig 3.79, 4.58 A or (resid 104 and name HD1*) (resid 9 and name HN) ! 0.2177 1685:10 ----- 4.52, 5.86 A or (resid 32 and name HG2*) (resid 35 and name HN) ! 0.0630 1685:10 ----- 5.56, 6.22 A or (resid 104 and name HG12) (resid 9 and name HN) ! 0.0367 1685:10 ----- 6.09, 6.63 A assign (resid 4 and name HG2*) (resid 76 and name HN) 3.15 1.35 1.35 ! 0.0000 1686:10 Long 3.01, 4.23 A assign (resid 79 and name HN) (resid 78 and name HN) 2.65 0.85 0.85 ! 0.5142 1687:10 Ambig 2.53, 2.69 A or (resid 76 and name HN) (resid 75 and name HN) ! 0.4508 1687:10 ----- 2.58, 2.62 A assign (resid 77 and name HA) (resid 76 and name HN) 3.65 1.85 1.85 ! 0.9024 1688:10 Ambig 5.15, 5.22 A or (resid 79 and name HA) (resid 76 and name HN) ! 0.0976 1688:10 ----- 7.45, 7.52 A assign (resid 38 and name HA) (resid 40 and name HN) 3.65 1.85 1.85 ! 0.5626 1689:10 Ambig 4.85, 5.03 A or (resid 77 and name HA) (resid 76 and name HN) ! 0.3947 1689:10 ----- 5.15, 5.22 A assign (resid 74 and name HN) (resid 75 and name HN) 3.15 1.35 1.35 ! 0.8149 1690:10 Ambig 2.64, 2.71 A or (resid 80 and name HN) (resid 78 and name HN) ! 0.1240 1690:10 ----- 3.62, 3.78 A or (resid 73 and name HN) (resid 75 and name HN) ! 0.0510 1690:10 ----- 4.20, 4.30 A assign (resid 2 and name HD*) (resid 26 and name HN) 3.65 1.85 1.85 ! 0.0000 1693:10 Long 4.90, 6.65 A assign (resid 11 and name HA1) (resid 13 and name HN) 3.65 1.85 1.85 ! 0.9698 1694:10 Mid 3.90, 4.20 A assign (resid 55 and name HE*) (resid 78 and name HN) 3.65 1.85 1.85 ! 0.8436 1695:10 Ambig 3.05, 6.06 A or (resid 55 and name HD*) (resid 78 and name HN) ! 0.1564 1695:10 ----- 4.04, 6.61 A assign (resid 16 and name HD1*) (resid 10 and name HN) 4.15 2.35 2.35 ! 0.6835 1696:10 Ambig 5.88, 7.39 A or (resid 84 and name HG2*) (resid 10 and name HN) ! 0.3165 1696:10 ----- 6.68, 7.84 A assign (resid 5 and name HG2*) (resid 10 and name HN) 3.15 1.35 1.35 ! 0.7085 1697:10 Ambig 4.27, 5.19 A or (resid 7 and name HB1) (resid 10 and name HN) ! 0.2413 1697:10 ----- 5.11, 5.45 A or (resid 104 and name HG12) (resid 10 and name HN) ! 0.0502 1697:10 ----- 6.63, 7.16 A assign (resid 17 and name HD2*) (resid 45 and name HN) 4.15 2.35 2.35 ! 0.8741 1698:10 Ambig 3.97, 5.20 A or (resid 46 and name HD2*) (resid 45 and name HN) ! 0.1259 1698:10 ----- 5.49, 6.43 A assign (resid 77 and name HB2) (resid 80 and name HN) 4.15 2.35 2.35 ! 0.0000 1699:10 Mid 5.48, 5.64 A assign (resid 10 and name HB1) (resid 11 and name HN) 3.65 1.85 1.85 ! 0.0000 1700:10 Seq 2.17, 2.48 A assign (resid 17 and name HD1*) (resid 49 and name HN) 3.65 1.85 1.85 ! 0.0000 1701:10 Long 4.36, 5.83 A assign (resid 15 and name HB1) (resid 18 and name HN) 3.65 1.85 1.85 ! 0.5011 1702:10 Ambig 5.14, 5.52 A or (resid 48 and name HB1) (resid 18 and name HN) ! 0.4989 1702:10 ----- 5.14, 6.77 A assign (resid 43 and name HA) (resid 47 and name HN) 3.15 1.35 1.35 ! 0.0000 1703:10 Mid 3.52, 3.89 A assign (resid 107 and name HB2) (resid 20 and name HD22) 4.15 2.35 2.35 ! 0.0000 1704:10 Long 5.54, 6.12 A assign (resid 42 and name HD1*) (resid 46 and name HN) 3.15 1.35 1.35 ! 0.8185 1705:10 Ambig 3.75, 4.91 A or (resid 13 and name HD2*) (resid 46 and name HN) ! 0.1084 1705:10 ----- 5.25, 7.29 A or (resid 13 and name HD1*) (resid 46 and name HN) ! 0.0730 1705:10 ----- 5.61, 7.29 A assign (resid 2 and name HD*) (resid 79 and name HN) 4.15 2.35 2.35 ! 0.0000 1706:10 Long 5.72, 7.27 A assign (resid 21 and name HB*) (resid 21 and name HN) 2.65 0.85 0.85 ! 0.0000 1707:10 Intra 2.44, 3.63 A assign (resid 15 and name HA) (resid 18 and name HN) 2.65 0.85 0.85 ! 0.5696 1708:10 Ambig 3.29, 3.67 A or (resid 17 and name HA) (resid 18 and name HN) ! 0.4304 1708:10 ----- 3.45, 3.52 A assign (resid 70 and name HA) (resid 73 and name HN) 3.15 1.35 1.35 ! 0.9323 1709:10 Ambig 3.16, 3.38 A or (resid 7 and name HD*) (resid 73 and name HN) ! 0.0402 1709:10 ----- 5.34, 5.77 A assign (resid 12 and name HB2) (resid 12 and name HN) 2.65 0.85 0.85 ! 0.0000 1710:10 Intra 2.21, 2.46 A assign (resid 13 and name HG) (resid 12 and name HN) 3.15 1.35 1.35 ! 0.8006 1711:10 Ambig 3.15, 4.87 A or (resid 12 and name HD2) (resid 12 and name HN) ! 0.1994 1711:10 ----- 3.97, 4.66 A assign (resid 75 and name HN) (resid 75 and name HA) 3.15 1.35 1.35 ! 0.5778 0:20 Ambig 2.81, 2.83 A or (resid 78 and name HN) (resid 75 and name HA) ! 0.3465 0:20 ----- 3.06, 3.22 A or (resid 77 and name HN) (resid 75 and name HA) ! 0.0757 0:20 ----- 3.94, 4.10 A assign (resid 76 and name HN) (resid 75 and name HA) 3.65 1.85 1.85 ! 0.5872 1:20 Ambig 3.49, 3.52 A or (resid 79 and name HN) (resid 75 and name HA) ! 0.4128 1:20 ----- 3.70, 3.97 A assign (resid 32 and name HN) (resid 32 and name HA) 3.65 1.85 1.85 ! 0.9959 2:20 Intra 2.78, 2.81 A assign (resid 73 and name HN) (resid 73 and name HA) 3.15 1.35 1.35 ! 0.0000 3:20 Intra 2.78, 2.80 A assign (resid 16 and name HN) (resid 16 and name HA) 3.15 1.35 1.35 ! 0.7890 4:20 Ambig 2.77, 2.82 A or (resid 17 and name HN) (resid 16 and name HA) ! 0.2110 4:20 ----- 3.45, 3.49 A assign (resid 29 and name HN) (resid 29 and name HA) 3.15 1.35 1.35 ! 0.0000 5:20 Intra 2.74, 2.79 A assign (resid 90 and name HN) (resid 90 and name HA) 3.15 1.35 1.35 ! 0.9805 6:20 Intra 2.80, 2.82 A assign (resid 91 and name HN) (resid 91 and name HA) 3.65 1.85 1.85 ! 0.0000 7:20 Intra 2.77, 2.79 A assign (resid 29 and name HB) (resid 29 and name HA) 3.65 1.85 1.85 ! 0.9901 8:20 Intra 2.55, 2.64 A assign (resid 78 and name HG2) (resid 75 and name HA) 3.15 1.35 1.35 ! 0.6443 9:20 Ambig 2.13, 4.37 A or (resid 78 and name HB1) (resid 75 and name HA) ! 0.3530 9:20 ----- 2.36, 3.04 A assign (resid 32 and name HB) (resid 32 and name HA) 3.65 1.85 1.85 ! 0.0000 10:20 Intra 2.44, 2.47 A assign (resid 90 and name HB) (resid 90 and name HA) 3.65 1.85 1.85 ! 0.9560 11:20 Intra 3.04, 3.05 A assign (resid 73 and name HG12) (resid 73 and name HA) 2.65 0.85 0.85 ! 0.9680 12:20 Intra 2.42, 2.52 A assign (resid 16 and name HG12) (resid 16 and name HA) 2.65 0.85 0.85 ! 0.4490 13:20 Ambig 3.65, 3.70 A or (resid 108 and name HG) (resid 16 and name HA) ! 0.3423 13:20 ----- 3.82, 4.27 A or (resid 15 and name HB1) (resid 16 and name HA) ! 0.2012 13:20 ----- 4.17, 4.31 A assign (resid 29 and name HG2*) (resid 29 and name HA) 2.65 0.85 0.85 ! 0.9984 14:20 Intra 2.30, 2.86 A assign (resid 35 and name HB*) (resid 32 and name HA) 2.65 0.85 0.85 ! 0.8458 15:20 Ambig 2.44, 3.51 A or (resid 42 and name HB) (resid 32 and name HA) ! 0.0973 15:20 ----- 3.49, 3.91 A or (resid 27 and name HG11) (resid 32 and name HA) ! 0.0516 15:20 ----- 3.88, 4.42 A assign (resid 76 and name HB*) (resid 73 and name HA) 3.15 1.35 1.35 ! 0.0000 16:20 Mid 2.36, 3.54 A assign (resid 91 and name HB) (resid 91 and name HA) 3.15 1.35 1.35 ! 0.9084 17:20 Ambig 3.02, 3.03 A or (resid 95 and name HG*) (resid 91 and name HA) ! 0.0743 17:20 ----- 4.59, 6.77 A assign (resid 16 and name HB) (resid 16 and name HA) 2.65 0.85 0.85 ! 0.9382 18:20 Ambig 2.46, 2.50 A or (resid 107 and name HG) (resid 16 and name HA) ! 0.0374 18:20 ----- 4.20, 4.92 A assign (resid 91 and name HG12) (resid 91 and name HA) 3.15 1.35 1.35 ! 0.9909 19:20 Intra 2.51, 2.56 A assign (resid 101 and name HB*) (resid 91 and name HA) 2.65 0.85 0.85 ! 0.0000 20:20 Long 2.08, 2.68 A assign (resid 75 and name HG2*) (resid 75 and name HA) 2.65 0.85 0.85 ! 0.0000 21:20 Intra 2.36, 3.04 A assign (resid 75 and name HG1*) (resid 75 and name HA) 3.15 1.35 1.35 ! 0.9743 22:20 Intra 2.60, 3.23 A assign (resid 32 and name HG1*) (resid 29 and name HA) 3.15 1.35 1.35 ! 0.0000 23:20 Mid 3.44, 4.53 A assign (resid 52 and name HG2*) (resid 29 and name HA) 2.65 0.85 0.85 ! 0.6072 24:20 Ambig 2.66, 4.19 A or (resid 52 and name HG1*) (resid 29 and name HA) ! 0.3915 24:20 ----- 2.86, 4.89 A assign (resid 32 and name HG1*) (resid 32 and name HA) 2.30 0.50 0.50 ! 0.9173 25:20 Ambig 2.46, 3.09 A or (resid 32 and name HG2*) (resid 32 and name HA) ! 0.0792 25:20 ----- 3.69, 3.94 A assign (resid 42 and name HD1*) (resid 32 and name HA) 3.15 1.35 1.35 ! 0.6370 26:20 Ambig 2.68, 3.83 A or (resid 27 and name HD1*) (resid 32 and name HA) ! 0.3544 26:20 ----- 2.96, 4.83 A assign (resid 90 and name HG2*) (resid 90 and name HA) 2.30 0.50 0.50 ! 0.0000 27:20 Intra 2.47, 3.12 A assign (resid 73 and name HD1*) (resid 90 and name HA) 2.30 0.50 0.50 ! 0.5930 28:20 Ambig 2.10, 3.47 A or (resid 65 and name HD2*) (resid 90 and name HA) ! 0.2007 28:20 ----- 2.51, 3.96 A or (resid 90 and name HG1*) (resid 90 and name HA) ! 0.1972 28:20 ----- 2.52, 3.18 A assign (resid 85 and name HB*) (resid 73 and name HA) 4.15 2.35 2.35 ! 0.0000 29:20 Long 6.03, 7.38 A assign (resid 83 and name HD1*) (resid 73 and name HA) 2.30 0.50 0.50 ! 0.6786 30:20 Ambig 2.73, 3.80 A or (resid 99 and name HG1*) (resid 73 and name HA) ! 0.1147 30:20 ----- 3.67, 5.12 A or (resid 99 and name HG2*) (resid 73 and name HA) ! 0.0879 30:20 ----- 3.84, 5.49 A or (resid 73 and name HD1*) (resid 73 and name HA) ! 0.0426 30:20 ----- 4.33, 4.63 A or (resid 4 and name HG1*) (resid 73 and name HA) ! 0.0288 30:20 ----- 4.62, 5.77 A assign (resid 107 and name HD1*) (resid 16 and name HA) 2.65 0.85 0.85 ! 0.9879 31:20 Long 2.28, 3.50 A assign (resid 91 and name HG2*) (resid 91 and name HA) 2.65 0.85 0.85 ! 0.9911 32:20 Intra 2.58, 3.22 A assign (resid 83 and name HD2*) (resid 91 and name HA) 3.15 1.35 1.35 ! 0.7830 33:20 Ambig 3.24, 4.52 A or (resid 91 and name HD1*) (resid 91 and name HA) ! 0.1228 33:20 ----- 4.41, 4.64 A or (resid 73 and name HD1*) (resid 91 and name HA) ! 0.0684 33:20 ----- 4.87, 6.22 A assign (resid 16 and name HG2*) (resid 16 and name HA) 2.65 0.85 0.85 ! 0.0000 34:20 Intra 2.33, 3.01 A assign (resid 100 and name HN) (resid 99 and name HA) 2.30 0.50 0.50 ! 0.0000 35:20 Seq 2.16, 2.23 A assign (resid 36 and name HN) (resid 36 and name HA) 3.15 1.35 1.35 ! 0.0000 37:20 Intra 2.78, 2.80 A assign (resid 37 and name HN) (resid 36 and name HA) 3.65 1.85 1.85 ! 0.0000 38:20 Seq 3.54, 3.56 A assign (resid 110 and name HN) (resid 110 and name HB*) 3.65 1.85 1.85 ! 0.9856 39:20 Intra 2.42, 3.09 A assign (resid 34 and name HN) (resid 33 and name HB*) 3.15 1.35 1.35 ! 0.0000 40:20 Seq 2.51, 3.41 A assign (resid 104 and name HN) (resid 104 and name HA) 3.15 1.35 1.35 ! 0.9917 41:20 Intra 2.76, 2.79 A assign (resid 71 and name HN) (resid 70 and name HB*) 3.65 1.85 1.85 ! 0.6939 42:20 Ambig 2.41, 3.37 A or (resid 62 and name HN) (resid 70 and name HB*) ! 0.2915 42:20 ----- 2.79, 5.24 A assign (resid 44 and name HN) (resid 44 and name HB*) 2.65 0.85 0.85 ! 0.9877 43:20 Intra 2.45, 2.98 A assign (resid 33 and name HN) (resid 33 and name HB*) 2.65 0.85 0.85 ! 0.9985 44:20 Intra 2.39, 2.92 A assign (resid 107 and name HN) (resid 104 and name HA) 3.65 1.85 1.85 ! 0.9924 45:20 Mid 3.05, 3.26 A assign (resid 38 and name HN) (resid 38 and name HB1) 3.15 1.35 1.35 ! 0.0000 46:20 Intra 3.58, 3.63 A assign (resid 38 and name HN) (resid 38 and name HB2) 3.15 1.35 1.35 ! 0.0000 47:20 Intra 2.39, 2.51 A assign (resid 70 and name HN) (resid 70 and name HB*) 3.15 1.35 1.35 ! 0.9535 48:20 Intra 2.46, 2.97 A assign (resid 45 and name HN) (resid 44 and name HB*) 3.15 1.35 1.35 ! 0.0000 49:20 Seq 2.30, 3.37 A assign (resid 10 and name HD*) (resid 7 and name HA) 3.65 1.85 1.85 ! 0.0000 50:20 Mid 2.01, 3.62 A assign (resid 10 and name HZ) (resid 7 and name HA) 3.65 1.85 1.85 ! 0.6911 51:20 Ambig 2.80, 3.40 A or (resid 34 and name HD*) (resid 7 and name HA) ! 0.2639 51:20 ----- 3.29, 5.35 A assign (resid 111 and name HA) (resid 111 and name HB*) 2.30 0.50 0.50 ! 0.9927 54:20 Intra 2.31, 2.71 A assign (resid 110 and name HA) (resid 110 and name HB*) 2.30 0.50 0.50 ! 0.0000 55:20 Intra 2.34, 2.66 A assign (resid 30 and name HA) (resid 33 and name HB*) 3.15 1.35 1.35 ! 0.0000 56:20 Mid 2.30, 3.41 A assign (resid 38 and name HA) (resid 38 and name HB1) 2.65 0.85 0.85 ! 0.0000 57:20 Intra 2.41, 2.44 A assign (resid 38 and name HA) (resid 38 and name HB2) 3.15 1.35 1.35 ! 0.0000 58:20 Intra 3.01, 3.02 A assign (resid 44 and name HA) (resid 44 and name HB*) 2.30 0.50 0.50 ! 0.0000 62:20 Intra 2.35, 2.69 A assign (resid 70 and name HB*) (resid 70 and name HA) 2.65 0.85 0.85 ! 0.9853 63:20 Intra 2.32, 2.70 A assign (resid 56 and name HA) (resid 56 and name HB2) 2.65 0.85 0.85 ! 0.0000 65:20 Intra 2.48, 2.80 A assign (resid 47 and name HB1) (resid 44 and name HB*) 3.65 1.85 1.85 ! 0.8073 68:20 Ambig 4.09, 4.82 A or (resid 47 and name HB2) (resid 44 and name HB*) ! 0.1927 68:20 ----- 5.20, 5.94 A assign (resid 36 and name HB) (resid 33 and name HB*) 3.65 1.85 1.85 ! 0.7938 69:20 Ambig 4.06, 4.91 A or (resid 30 and name HB2) (resid 33 and name HB*) ! 0.2062 69:20 ----- 5.09, 6.25 A assign (resid 99 and name HB) (resid 99 and name HA) 3.15 1.35 1.35 ! 0.0000 70:20 Intra 3.03, 3.04 A assign (resid 107 and name HB1) (resid 104 and name HA) 3.15 1.35 1.35 ! 0.9932 71:20 Mid 2.05, 2.55 A assign (resid 65 and name HB1) (resid 70 and name HB*) 3.15 1.35 1.35 ! 0.5878 72:20 Ambig 3.22, 5.44 A or (resid 48 and name HG1) (resid 44 and name HB*) ! 0.4122 72:20 ----- 3.42, 4.81 A assign (resid 36 and name HG12) (resid 36 and name HA) 2.65 0.85 0.85 ! 0.9784 73:20 Intra 3.00, 3.08 A assign (resid 36 and name HG11) (resid 36 and name HA) 3.15 1.35 1.35 ! 0.0000 74:20 Intra 3.73, 3.76 A assign (resid 102 and name HG12) (resid 110 and name HB*) 3.65 1.85 1.85 ! 0.4657 75:20 Ambig 3.71, 5.75 A or (resid 109 and name HB*) (resid 110 and name HB*) ! 0.4141 75:20 ----- 3.79, 6.05 A or (resid 107 and name HB2) (resid 110 and name HB*) ! 0.1202 75:20 ----- 4.65, 6.19 A assign (resid 36 and name HG11) (resid 33 and name HB*) 3.65 1.85 1.85 ! 0.0000 76:20 Mid 4.72, 5.71 A assign (resid 104 and name HB) (resid 104 and name HA) 2.65 0.85 0.85 ! 0.6932 77:20 Ambig 2.98, 3.00 A or (resid 107 and name HG) (resid 104 and name HA) ! 0.2822 77:20 ----- 3.46, 4.01 A assign (resid 107 and name HB2) (resid 104 and name HA) 2.65 0.85 0.85 ! 0.5093 78:20 Ambig 2.73, 3.06 A or (resid 104 and name HG11) (resid 104 and name HA) ! 0.4718 78:20 ----- 2.76, 2.87 A assign (resid 48 and name HG2) (resid 44 and name HB1) 3.65 1.85 1.85 ! 0.9696 79:20 Ambig 2.40, 5.64 A or (resid 48 and name HG2) (resid 44 and name HB2) ! 0.0000 79:20 ----- 0.00, 0.00 A or (resid 14 and name HB1) (resid 44 and name HB2) ! 0.0000 79:20 ----- 0.00, 0.00 A or (resid 14 and name HB1) (resid 44 and name HB1) ! 0.0000 79:20 ----- 0.00, 0.00 A assign (resid 14 and name HG2) (resid 44 and name HB*) 3.15 1.35 1.35 ! 0.8433 80:20 Ambig 2.88, 4.33 A or (resid 45 and name HB*) (resid 44 and name HB*) ! 0.1567 80:20 ----- 3.81, 5.63 A assign (resid 36 and name HG2*) (resid 36 and name HA) 2.30 0.50 0.50 ! 0.0000 81:20 Intra 2.58, 3.23 A assign (resid 107 and name HD1*) (resid 19 and name HB1) 4.15 2.35 2.35 ! 0.0000 82:20 Long 4.15, 6.26 A assign (resid 102 and name HD1*) (resid 110 and name HB*) 3.65 1.85 1.85 ! 0.0000 83:20 Long 3.89, 6.51 A assign (resid 108 and name HD2*) (resid 111 and name HB*) 3.15 1.35 1.35 ! 0.6819 84:20 Ambig 3.36, 5.78 A or (resid 90 and name HG1*) (resid 8 and name HB1) ! 0.2821 84:20 ----- 3.89, 6.05 A assign (resid 90 and name HG1*) (resid 6 and name HB1) 3.15 1.35 1.35 ! 0.8085 85:20 Ambig 2.59, 4.07 A or (resid 83 and name HD1*) (resid 6 and name HB1) ! 0.0816 85:20 ----- 3.79, 5.01 A or (resid 90 and name HG1*) (resid 8 and name HB1) ! 0.0702 85:20 ----- 3.89, 6.05 A assign (resid 32 and name HG2*) (resid 33 and name HB*) 2.65 0.85 0.85 ! 0.5041 86:20 Ambig 3.21, 5.16 A or (resid 30 and name HD2*) (resid 33 and name HB*) ! 0.4734 86:20 ----- 3.24, 5.15 A assign (resid 73 and name HD1*) (resid 70 and name HA) 2.65 0.85 0.85 ! 0.7708 87:20 Ambig 2.07, 3.62 A or (resid 62 and name HG1*) (resid 70 and name HA) ! 0.1505 87:20 ----- 2.72, 5.89 A or (resid 62 and name HG2*) (resid 70 and name HA) ! 0.0429 87:20 ----- 3.35, 5.39 A assign (resid 83 and name HB1) (resid 99 and name HA) 4.15 2.35 2.35 ! 0.0000 89:20 Long 5.82, 6.12 A assign (resid 104 and name HG2*) (resid 104 and name HA) 2.65 0.85 0.85 ! 0.9439 90:20 Ambig 2.60, 3.31 A or (resid 104 and name HD1*) (resid 104 and name HA) ! 0.0561 90:20 ----- 4.16, 4.49 A assign (resid 40 and name HD1*) (resid 38 and name HB1) 3.15 1.35 1.35 ! 0.0000 91:20 Mid 2.58, 3.78 A assign (resid 40 and name HD1*) (resid 38 and name HB2) 3.15 1.35 1.35 ! 0.0000 92:20 Mid 2.37, 3.18 A assign (resid 62 and name HG1*) (resid 70 and name HB*) 2.65 0.85 0.85 ! 0.5126 93:20 Ambig 2.08, 5.53 A or (resid 62 and name HG2*) (resid 70 and name HB*) ! 0.4221 93:20 ----- 2.14, 4.49 A or (resid 65 and name HD1*) (resid 70 and name HB*) ! 0.0309 93:20 ----- 3.32, 6.50 A assign (resid 7 and name HB1) (resid 7 and name HA) 2.65 0.85 0.85 ! 0.9454 94:20 Ambig 2.30, 2.31 A or (resid 5 and name HG2*) (resid 7 and name HA) ! 0.0546 94:20 ----- 3.69, 5.11 A assign (resid 105 and name HN) (resid 105 and name HA) 3.15 1.35 1.35 ! 0.0000 95:20 Intra 2.79, 2.82 A assign (resid 15 and name HN) (resid 15 and name HA) 3.15 1.35 1.35 ! 0.0000 96:20 Intra 2.79, 2.84 A assign (resid 78 and name HN) (resid 78 and name HA) 3.15 1.35 1.35 ! 0.9723 97:20 Intra 2.75, 2.81 A assign (resid 15 and name HN) (resid 14 and name HA) 3.65 1.85 1.85 ! 0.0000 98:20 Seq 3.32, 3.48 A assign (resid 14 and name HN) (resid 14 and name HA) 2.65 0.85 0.85 ! 0.0000 99:20 Intra 2.77, 2.82 A assign (resid 16 and name HN) (resid 15 and name HA) 3.15 1.35 1.35 ! 0.7672 100:20 Ambig 3.52, 3.54 A or (resid 17 and name HN) (resid 15 and name HA) ! 0.2328 100:20 ----- 4.30, 4.52 A assign (resid 40 and name HN) (resid 40 and name HA) 3.15 1.35 1.35 ! 0.9890 101:20 Intra 2.88, 2.93 A assign (resid 89 and name HN) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.9866 102:20 Seq 3.47, 3.54 A assign (resid 95 and name HN) (resid 96 and name HA) 3.65 1.85 1.85 ! 0.7510 103:20 Ambig 5.09, 5.19 A or (resid 94 and name HN) (resid 96 and name HA) ! 0.1449 103:20 ----- 6.70, 6.86 A or (resid 93 and name HN) (resid 96 and name HA) ! 0.1041 103:20 ----- 7.08, 7.29 A assign (resid 92 and name HN) (resid 88 and name HA) 3.15 1.35 1.35 ! 0.0000 104:20 Mid 3.69, 4.03 A assign (resid 42 and name HN) (resid 42 and name HA) 3.65 1.85 1.85 ! 0.0000 105:20 Intra 2.86, 2.91 A assign (resid 79 and name HN) (resid 78 and name HA) 3.15 1.35 1.35 ! 0.9445 106:20 Ambig 3.30, 3.50 A or (resid 99 and name HN) (resid 96 and name HA) ! 0.0428 106:20 ----- 5.52, 5.70 A assign (resid 37 and name HN) (resid 37 and name HA) 3.15 1.35 1.35 ! 0.8020 107:20 Ambig 2.79, 2.84 A or (resid 80 and name HN) (resid 78 and name HA) ! 0.1980 107:20 ----- 3.52, 4.03 A assign (resid 93 and name HN) (resid 93 and name HA) 3.15 1.35 1.35 ! 0.7455 108:20 Ambig 2.77, 2.82 A or (resid 94 and name HN) (resid 93 and name HA) ! 0.1861 108:20 ----- 3.49, 3.53 A or (resid 95 and name HN) (resid 93 and name HA) ! 0.0684 108:20 ----- 4.13, 4.35 A assign (resid 71 and name HN) (resid 71 and name HA) 3.65 1.85 1.85 ! 0.0000 109:20 Intra 2.77, 2.81 A assign (resid 17 and name HN) (resid 14 and name HA) 3.15 1.35 1.35 ! 0.0000 110:20 Mid 3.51, 3.91 A assign (resid 16 and name HN) (resid 13 and name HA) 3.15 1.35 1.35 ! 0.7003 111:20 Ambig 3.26, 3.69 A or (resid 17 and name HN) (resid 13 and name HA) ! 0.2997 111:20 ----- 3.76, 4.05 A assign (resid 18 and name HN) (resid 15 and name HA) 3.15 1.35 1.35 ! 0.0000 112:20 Mid 3.29, 3.67 A assign (resid 77 and name HD*) (resid 78 and name HA) 3.65 1.85 1.85 ! 0.0000 113:20 Seq 3.33, 4.95 A assign (resid 106 and name HN) (resid 105 and name HA) 3.65 1.85 1.85 ! 0.0000 114:20 Seq 3.36, 3.45 A assign (resid 96 and name HN) (resid 96 and name HA) 2.65 0.85 0.85 ! 0.8078 115:20 Ambig 2.79, 2.82 A or (resid 98 and name HN) (resid 96 and name HA) ! 0.1852 115:20 ----- 3.57, 3.79 A assign (resid 97 and name HN) (resid 96 and name HA) 3.15 1.35 1.35 ! 0.6255 116:20 Ambig 3.40, 3.48 A or (resid 55 and name HE*) (resid 78 and name HA) ! 0.3289 116:20 ----- 3.78, 6.57 A assign (resid 92 and name HD21) (resid 93 and name HA) 3.15 1.35 1.35 ! 0.6709 117:20 Ambig 2.78, 3.37 A or (resid 96 and name HN) (resid 93 and name HA) ! 0.3231 117:20 ----- 3.14, 3.50 A assign (resid 13 and name HN) (resid 13 and name HA) 3.15 1.35 1.35 ! 0.0000 118:20 Intra 2.71, 2.78 A assign (resid 56 and name HB1) (resid 56 and name HA) 2.65 0.85 0.85 ! 0.0000 121:20 Intra 2.31, 2.52 A assign (resid 56 and name HB2) (resid 56 and name HA) 2.65 0.85 0.85 ! 0.0000 122:20 Intra 2.48, 2.80 A assign (resid 15 and name HG1) (resid 15 and name HA) 2.65 0.85 0.85 ! 0.0000 123:20 Intra 2.83, 3.05 A assign (resid 15 and name HG2) (resid 15 and name HA) 2.30 0.50 0.50 ! 0.7811 124:20 Ambig 2.41, 2.50 A or (resid 15 and name HB2) (resid 15 and name HA) ! 0.2107 124:20 ----- 3.00, 3.01 A assign (resid 78 and name HB1) (resid 78 and name HA) 2.65 0.85 0.85 ! 0.5500 125:20 Ambig 2.32, 2.87 A or (resid 78 and name HG2) (resid 78 and name HA) ! 0.4500 125:20 ----- 2.40, 2.98 A assign (resid 105 and name HG2) (resid 105 and name HA) 3.15 1.35 1.35 ! 0.9676 126:20 Intra 2.42, 3.03 A assign (resid 105 and name HB1) (resid 105 and name HA) 2.30 0.50 0.50 ! 0.5703 127:20 Ambig 2.39, 2.58 A or (resid 105 and name HB2) (resid 105 and name HA) ! 0.4297 127:20 ----- 2.51, 2.95 A assign (resid 78 and name HB1) (resid 78 and name HA) 2.30 0.50 0.50 ! 0.8249 128:20 Ambig 2.32, 2.87 A or (resid 96 and name HG1) (resid 96 and name HA) ! 0.1751 128:20 ----- 3.01, 3.17 A assign (resid 96 and name HB2) (resid 96 and name HA) 2.65 0.85 0.85 ! 0.0000 129:20 Intra 2.97, 3.00 A assign (resid 88 and name HB*) (resid 88 and name HA) 2.30 0.50 0.50 ! 0.0000 130:20 Intra 2.34, 2.71 A assign (resid 37 and name HB*) (resid 37 and name HA) 2.30 0.50 0.50 ! 0.9580 131:20 Intra 2.37, 2.45 A assign (resid 96 and name HB2) (resid 93 and name HA) 3.15 1.35 1.35 ! 0.0000 132:20 Mid 2.38, 2.92 A assign (resid 93 and name HB2) (resid 93 and name HA) 3.15 1.35 1.35 ! 0.9987 133:20 Intra 2.43, 2.73 A assign (resid 71 and name HG1) (resid 71 and name HA) 3.15 1.35 1.35 ! 0.8183 134:20 Ambig 2.45, 2.65 A or (resid 74 and name HG2) (resid 71 and name HA) ! 0.1647 134:20 ----- 3.20, 3.90 A assign (resid 71 and name HB*) (resid 71 and name HA) 2.65 0.85 0.85 ! 0.0000 135:20 Intra 2.46, 2.76 A assign (resid 15 and name HB1) (resid 15 and name HA) 2.65 0.85 0.85 ! 0.9290 136:20 Ambig 2.44, 2.48 A or (resid 14 and name HB2) (resid 15 and name HA) ! 0.0592 136:20 ----- 3.85, 4.26 A assign (resid 108 and name HB2) (resid 105 and name HA) 2.65 0.85 0.85 ! 0.8830 138:20 Ambig 2.06, 2.54 A or (resid 40 and name HB) (resid 40 and name HA) ! 0.0867 138:20 ----- 3.03, 3.05 A assign (resid 40 and name HG11) (resid 40 and name HA) 2.65 0.85 0.85 ! 0.0000 139:20 Intra 2.94, 3.04 A assign (resid 88 and name HD*) (resid 88 and name HA) 3.15 1.35 1.35 ! 0.0000 140:20 Intra 2.04, 3.84 A assign (resid 42 and name HB) (resid 42 and name HA) 2.65 0.85 0.85 ! 0.0000 141:20 Intra 2.41, 2.46 A assign (resid 45 and name HB*) (resid 42 and name HA) 3.15 1.35 1.35 ! 0.7348 142:20 Ambig 2.60, 3.59 A or (resid 61 and name HG2) (resid 67 and name HA) ! 0.1716 142:20 ----- 3.31, 7.66 A or (resid 42 and name HG12) (resid 42 and name HA) ! 0.0846 142:20 ----- 3.73, 3.78 A assign (resid 93 and name HD1) (resid 93 and name HA) 2.65 0.85 0.85 ! 0.5382 143:20 Ambig 2.36, 3.37 A or (resid 93 and name HG2) (resid 93 and name HA) ! 0.4618 143:20 ----- 2.42, 2.86 A assign (resid 93 and name HD2) (resid 93 and name HA) 2.65 0.85 0.85 ! 0.8118 144:20 Ambig 1.94, 3.19 A or (resid 93 and name HB1) (resid 93 and name HA) ! 0.1882 144:20 ----- 2.48, 2.83 A assign (resid 93 and name HG1) (resid 93 and name HA) 3.65 1.85 1.85 ! 0.9983 145:20 Intra 2.48, 3.54 A assign (resid 74 and name HB1) (resid 71 and name HA) 3.15 1.35 1.35 ! 0.5850 146:20 Ambig 3.94, 4.33 A or (resid 28 and name HG2*) (resid 71 and name HA) ! 0.4150 146:20 ----- 4.17, 5.36 A assign (resid 14 and name HB2) (resid 14 and name HA) 2.65 0.85 0.85 ! 0.7913 147:20 Ambig 3.00, 3.02 A or (resid 13 and name HB2) (resid 14 and name HA) ! 0.1570 147:20 ----- 3.93, 4.77 A or (resid 48 and name HB1) (resid 14 and name HA) ! 0.0294 147:20 ----- 5.20, 7.09 A assign (resid 14 and name HB1) (resid 14 and name HA) 2.30 0.50 0.50 ! 0.6055 148:20 Ambig 2.40, 2.46 A or (resid 17 and name HB2) (resid 14 and name HA) ! 0.1936 148:20 ----- 2.90, 4.07 A or (resid 14 and name HD*) (resid 14 and name HA) ! 0.1302 148:20 ----- 3.10, 4.56 A or (resid 13 and name HG) (resid 14 and name HA) ! 0.0518 148:20 ----- 3.61, 5.47 A assign (resid 14 and name HG1) (resid 14 and name HA) 3.15 1.35 1.35 ! 0.9788 149:20 Intra 2.13, 2.99 A assign (resid 14 and name HG2) (resid 14 and name HA) 2.65 0.85 0.85 ! 0.0000 150:20 Intra 2.43, 2.66 A assign (resid 13 and name HB1) (resid 13 and name HA) 3.15 1.35 1.35 ! 0.9602 151:20 Intra 2.36, 2.67 A assign (resid 62 and name HG1*) (resid 62 and name HA) 2.30 0.50 0.50 ! 0.3314 152:20 Ambig 2.40, 3.07 A or (resid 99 and name HG1*) (resid 99 and name HA) ! 0.2453 152:20 ----- 2.53, 3.13 A or (resid 99 and name HG2*) (resid 99 and name HA) ! 0.2208 152:20 ----- 2.57, 3.19 A or (resid 62 and name HG2*) (resid 62 and name HA) ! 0.1992 152:20 ----- 2.62, 3.75 A assign (resid 108 and name HD1*) (resid 105 and name HA) 2.30 0.50 0.50 ! 0.8770 153:20 Ambig 2.23, 3.47 A or (resid 104 and name HG2*) (resid 105 and name HA) ! 0.1080 153:20 ----- 3.16, 4.30 A assign (resid 40 and name HG2*) (resid 40 and name HA) 2.65 0.85 0.85 ! 0.0000 154:20 Intra 2.46, 3.15 A assign (resid 42 and name HG2*) (resid 42 and name HA) 2.65 0.85 0.85 ! 0.7152 155:20 Ambig 3.72, 3.94 A or (resid 30 and name HD1*) (resid 67 and name HA) ! 0.2397 155:20 ----- 4.46, 5.20 A assign (resid 91 and name HG2*) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.0000 156:20 Mid 3.92, 4.88 A assign (resid 91 and name HD1*) (resid 88 and name HA) 3.65 1.85 1.85 ! 0.0000 157:20 Mid 2.05, 3.45 A assign (resid 42 and name HD1*) (resid 42 and name HA) 2.65 0.85 0.85 ! 0.8162 158:20 Ambig 2.00, 2.98 A or (resid 13 and name HD2*) (resid 42 and name HA) ! 0.1013 158:20 ----- 2.83, 5.09 A or (resid 13 and name HD1*) (resid 42 and name HA) ! 0.0787 158:20 ----- 2.96, 4.78 A assign (resid 97 and name HD1*) (resid 93 and name HA) 3.15 1.35 1.35 ! 0.2733 159:20 Ambig 4.62, 6.07 A or (resid 65 and name HD1*) (resid 93 and name HA) ! 0.2254 159:20 ----- 4.77, 5.89 A or (resid 73 and name HD1*) (resid 93 and name HA) ! 0.1929 159:20 ----- 4.90, 5.93 A or (resid 62 and name HG1*) (resid 93 and name HA) ! 0.1555 159:20 ----- 5.08, 7.62 A or (resid 97 and name HD2*) (resid 93 and name HA) ! 0.1529 159:20 ----- 5.09, 6.19 A assign (resid 104 and name HD1*) (resid 13 and name HA) 3.65 1.85 1.85 ! 0.4515 160:20 Ambig 3.69, 5.19 A or (resid 5 and name HG2*) (resid 13 and name HA) ! 0.3419 160:20 ----- 3.87, 4.96 A or (resid 104 and name HG12) (resid 13 and name HA) ! 0.1608 160:20 ----- 4.39, 5.62 A assign (resid 16 and name HD1*) (resid 13 and name HA) 2.65 0.85 0.85 ! 0.9807 161:20 Mid 2.16, 3.16 A assign (resid 13 and name HD1*) (resid 13 and name HA) 2.65 0.85 0.85 ! 0.4742 162:20 Ambig 2.11, 4.15 A or (resid 13 and name HD2*) (resid 13 and name HA) ! 0.4200 162:20 ----- 2.15, 3.95 A or (resid 16 and name HG11) (resid 13 and name HA) ! 0.0651 162:20 ----- 2.94, 3.17 A assign (resid 81 and name HN) (resid 76 and name HA) 3.15 1.35 1.35 ! 0.6568 163:20 Ambig 2.93, 3.11 A or (resid 77 and name HN) (resid 76 and name HA) ! 0.2566 163:20 ----- 3.43, 3.46 A or (resid 78 and name HN) (resid 76 and name HA) ! 0.0658 163:20 ----- 4.30, 4.48 A assign (resid 35 and name HN) (resid 35 and name HA) 3.65 1.85 1.85 ! 0.0000 164:20 Intra 2.77, 2.82 A assign (resid 17 and name HN) (resid 17 and name HA) 3.65 1.85 1.85 ! 0.0000 165:20 Intra 2.79, 2.82 A assign (resid 76 and name HN) (resid 76 and name HA) 3.15 1.35 1.35 ! 0.7714 166:20 Ambig 2.80, 2.82 A or (resid 79 and name HN) (resid 76 and name HA) ! 0.2286 166:20 ----- 3.43, 3.57 A assign (resid 94 and name HN) (resid 94 and name HA) 3.15 1.35 1.35 ! 0.7823 167:20 Ambig 2.79, 2.82 A or (resid 95 and name HN) (resid 94 and name HA) ! 0.2177 167:20 ----- 3.45, 3.51 A assign (resid 40 and name HN) (resid 35 and name HA) 3.15 1.35 1.35 ! 0.9567 168:20 Long 3.01, 3.35 A assign (resid 25 and name HD*) (resid 17 and name HA) 3.15 1.35 1.35 ! 0.0000 169:20 Long 3.43, 4.57 A assign (resid 45 and name HN) (resid 45 and name HA) 3.15 1.35 1.35 ! 0.0000 170:20 Intra 2.80, 2.84 A assign (resid 38 and name HB2) (resid 35 and name HA) 3.65 1.85 1.85 ! 0.9526 172:20 Mid 2.74, 2.96 A assign (resid 1 and name HG2) (resid 1 and name HA) 3.65 1.85 1.85 ! 0.0000 173:20 Intra 3.03, 3.10 A assign (resid 1 and name HB*) (resid 1 and name HA) 2.65 0.85 0.85 ! 0.9844 174:20 Intra 2.49, 2.78 A assign (resid 48 and name HG1) (resid 45 and name HA) 3.15 1.35 1.35 ! 0.7706 175:20 Ambig 3.44, 4.22 A or (resid 48 and name HB1) (resid 45 and name HA) ! 0.1744 175:20 ----- 4.41, 4.83 A or (resid 46 and name HG) (resid 45 and name HA) ! 0.0549 175:20 ----- 5.34, 5.44 A assign (resid 17 and name HB2) (resid 17 and name HA) 2.65 0.85 0.85 ! 0.5369 176:20 Ambig 2.37, 2.47 A or (resid 17 and name HG) (resid 17 and name HA) ! 0.4456 176:20 ----- 2.45, 3.21 A assign (resid 17 and name HB1) (resid 17 and name HA) 3.15 1.35 1.35 ! 0.0000 177:20 Intra 2.57, 2.96 A assign (resid 72 and name HB*) (resid 72 and name HA) 2.65 0.85 0.85 ! 0.9961 178:20 Intra 2.43, 2.64 A assign (resid 76 and name HB*) (resid 76 and name HA) 2.65 0.85 0.85 ! 0.9722 179:20 Intra 2.42, 2.63 A assign (resid 28 and name HG2*) (resid 72 and name HA) 2.65 0.85 0.85 ! 0.9777 180:20 Long 1.95, 2.57 A assign (resid 81 and name HB*) (resid 76 and name HA) 2.65 0.85 0.85 ! 0.9994 182:20 Long 2.06, 3.15 A assign (resid 97 and name HG) (resid 94 and name HA) 3.15 1.35 1.35 ! 0.6175 184:20 Ambig 2.89, 3.23 A or (resid 93 and name HD1) (resid 94 and name HA) ! 0.2694 184:20 ----- 3.32, 5.67 A or (resid 97 and name HB1) (resid 94 and name HA) ! 0.0825 184:20 ----- 4.05, 4.47 A assign (resid 45 and name HB*) (resid 45 and name HA) 2.30 0.50 0.50 ! 0.9989 185:20 Intra 2.43, 2.65 A assign (resid 35 and name HB*) (resid 35 and name HA) 2.30 0.50 0.50 ! 0.9586 186:20 Intra 2.40, 2.63 A assign (resid 40 and name HG12) (resid 35 and name HA) 3.15 1.35 1.35 ! 0.8317 187:20 Ambig 4.27, 4.49 A or (resid 42 and name HG12) (resid 35 and name HA) ! 0.1683 187:20 ----- 5.57, 6.05 A assign (resid 16 and name HG11) (resid 17 and name HA) 3.15 1.35 1.35 ! 0.6710 188:20 Ambig 3.38, 3.53 A or (resid 17 and name HD2*) (resid 17 and name HA) ! 0.2044 188:20 ----- 4.13, 4.67 A or (resid 5 and name HD1*) (resid 17 and name HA) ! 0.1246 188:20 ----- 4.48, 6.34 A assign (resid 17 and name HD1*) (resid 17 and name HA) 2.65 0.85 0.85 ! 0.0000 189:20 Intra 2.15, 3.07 A assign (resid 4 and name HG2*) (resid 72 and name HA) 3.65 1.85 1.85 ! 0.0000 190:20 Long 4.86, 5.75 A assign (resid 4 and name HG1*) (resid 72 and name HA) 3.15 1.35 1.35 ! 0.9131 191:20 Ambig 2.55, 3.28 A or (resid 83 and name HD1*) (resid 72 and name HA) ! 0.0452 191:20 ----- 4.20, 4.83 A assign (resid 97 and name HD1*) (resid 94 and name HA) 2.65 0.85 0.85 ! 0.6796 192:20 Ambig 2.26, 3.69 A or (resid 73 and name HD1*) (resid 94 and name HA) ! 0.2670 192:20 ----- 2.64, 4.53 A or (resid 99 and name HG2*) (resid 94 and name HA) ! 0.0353 192:20 ----- 3.70, 4.53 A assign (resid 17 and name HD2*) (resid 45 and name HA) 3.15 1.35 1.35 ! 0.9965 193:20 Long 1.90, 2.66 A assign (resid 40 and name HD1*) (resid 35 and name HA) 3.15 1.35 1.35 ! 0.9977 194:20 Long 2.01, 3.44 A assign (resid 40 and name HG2*) (resid 35 and name HA) 3.65 1.85 1.85 ! 0.8780 195:20 Ambig 3.78, 4.61 A or (resid 13 and name HD1*) (resid 35 and name HA) ! 0.1220 195:20 ----- 5.26, 7.61 A assign (resid 102 and name HA) (resid 103 and name HD2) 3.15 1.35 1.35 ! 0.9981 198:20 Seq 2.30, 2.76 A assign (resid 102 and name HA) (resid 103 and name HD1) 2.65 0.85 0.85 ! 0.9981 199:20 Seq 1.93, 2.08 A assign (resid 59 and name HA) (resid 60 and name HD2) 2.65 0.85 0.85 ! 0.9752 200:20 Seq 2.10, 2.52 A assign (resid 65 and name HA) (resid 66 and name HD2) 2.65 0.85 0.85 ! 0.8961 201:20 Ambig 2.17, 2.72 A or (resid 31 and name HA2) (resid 7 and name HD*) ! 0.0497 201:20 ----- 3.51, 4.56 A or (resid 66 and name HA) (resid 66 and name HD2) ! 0.0284 201:20 ----- 3.86, 3.95 A assign (resid 58 and name HA) (resid 59 and name HD1) 2.65 0.85 0.85 ! 0.9676 202:20 Seq 1.90, 2.14 A assign (resid 59 and name HA) (resid 60 and name HD1) 2.65 0.85 0.85 ! 0.9715 204:20 Seq 1.89, 2.13 A assign (resid 65 and name HA) (resid 66 and name HD1) 3.15 1.35 1.35 ! 0.9769 205:20 Seq 1.92, 2.02 A assign (resid 106 and name HB2) (resid 103 and name HD2) 2.65 0.85 0.85 ! 0.2791 210:20 Ambig 2.05, 2.43 A or (resid 69 and name HG1) (resid 66 and name HD2) ! 0.2655 210:20 ----- 2.07, 2.61 A or (resid 106 and name HB1) (resid 103 and name HD2) ! 0.1852 210:20 ----- 2.19, 3.15 A or (resid 103 and name HG2) (resid 103 and name HD2) ! 0.1499 210:20 ----- 2.27, 2.29 A or (resid 69 and name HG1) (resid 7 and name HD*) ! 0.0781 210:20 ----- 2.53, 5.37 A assign (resid 102 and name HB) (resid 103 and name HD2) 2.30 0.50 0.50 ! 0.4092 211:20 Ambig 2.11, 2.33 A or (resid 65 and name HB1) (resid 66 and name HD2) ! 0.2967 211:20 ----- 2.23, 2.66 A or (resid 60 and name HG1) (resid 60 and name HD2) ! 0.1024 211:20 ----- 2.66, 2.89 A or (resid 66 and name HG1) (resid 66 and name HD2) ! 0.0967 211:20 ----- 2.69, 2.94 A or (resid 103 and name HG1) (resid 103 and name HD2) ! 0.0949 211:20 ----- 2.70, 2.90 A assign (resid 103 and name HB1) (resid 103 and name HD1) 3.15 1.35 1.35 ! 0.6319 212:20 Ambig 2.96, 3.72 A or (resid 106 and name HG1) (resid 103 and name HD1) ! 0.2207 212:20 ----- 3.53, 4.67 A or (resid 103 and name HB2) (resid 103 and name HD1) ! 0.1334 212:20 ----- 3.83, 3.90 A assign (resid 103 and name HG2) (resid 103 and name HD1) 2.65 0.85 0.85 ! 0.5189 213:20 Ambig 2.62, 2.75 A or (resid 59 and name HG2) (resid 59 and name HD1) ! 0.4811 213:20 ----- 2.65, 2.80 A assign (resid 59 and name HG1) (resid 59 and name HD1) 2.30 0.50 0.50 ! 0.5118 214:20 Ambig 2.25, 2.29 A or (resid 103 and name HG1) (resid 103 and name HD1) ! 0.4882 214:20 ----- 2.26, 2.29 A assign (resid 60 and name HG1) (resid 60 and name HD1) 2.65 0.85 0.85 ! 0.0000 215:20 Intra 2.24, 2.29 A assign (resid 66 and name HG1) (resid 66 and name HD1) 3.15 1.35 1.35 ! 0.7247 216:20 Ambig 2.25, 2.29 A or (resid 65 and name HB1) (resid 66 and name HD1) ! 0.2214 216:20 ----- 2.75, 3.45 A or (resid 69 and name HG2) (resid 66 and name HD1) ! 0.0500 216:20 ----- 3.52, 4.66 A assign (resid 60 and name HG2) (resid 60 and name HD2) 2.65 0.85 0.85 ! 0.0000 217:20 Intra 2.26, 2.30 A assign (resid 66 and name HG2) (resid 66 and name HD2) 2.65 0.85 0.85 ! 0.5032 218:20 Ambig 2.23, 2.30 A or (resid 7 and name HG*) (resid 7 and name HD*) ! 0.4563 218:20 ----- 2.27, 2.58 A assign (resid 58 and name HB*) (resid 59 and name HD1) 3.15 1.35 1.35 ! 0.8746 219:20 Ambig 3.17, 4.44 A or (resid 91 and name HB) (resid 103 and name HD1) ! 0.1113 219:20 ----- 4.46, 5.16 A assign (resid 58 and name HG*) (resid 59 and name HD1) 3.15 1.35 1.35 ! 0.6064 220:20 Ambig 3.41, 4.83 A or (resid 91 and name HG12) (resid 103 and name HD1) ! 0.3164 220:20 ----- 3.80, 4.15 A or (resid 102 and name HG12) (resid 103 and name HD1) ! 0.0432 220:20 ----- 5.29, 5.68 A assign (resid 60 and name HG2) (resid 60 and name HD1) 2.65 0.85 0.85 ! 0.6341 221:20 Ambig 2.64, 2.80 A or (resid 60 and name HB1) (resid 60 and name HD1) ! 0.3659 221:20 ----- 2.90, 3.63 A assign (resid 66 and name HG2) (resid 66 and name HD1) 3.65 1.85 1.85 ! 0.6830 222:20 Ambig 2.63, 2.72 A or (resid 66 and name HB1) (resid 66 and name HD1) ! 0.3170 222:20 ----- 2.99, 3.87 A assign (resid 65 and name HD2*) (resid 66 and name HD2) 2.65 0.85 0.85 ! 0.7629 223:20 Ambig 2.93, 3.99 A or (resid 102 and name HD1*) (resid 103 and name HD2) ! 0.1137 223:20 ----- 4.02, 4.91 A or (resid 90 and name HG1*) (resid 7 and name HD*) ! 0.0498 223:20 ----- 4.62, 6.27 A or (resid 4 and name HG1*) (resid 7 and name HD*) ! 0.0288 223:20 ----- 5.06, 6.76 A assign (resid 91 and name HG2*) (resid 103 and name HD1) 2.65 0.85 0.85 ! 0.8768 224:20 Ambig 2.16, 3.92 A or (resid 102 and name HG2*) (resid 103 and name HD1) ! 0.1232 224:20 ----- 2.99, 4.25 A assign (resid 65 and name HD2*) (resid 66 and name HD1) 3.15 1.35 1.35 ! 0.9773 225:20 Seq 2.86, 4.01 A assign (resid 40 and name HN) (resid 39 and name HA2) 3.15 1.35 1.35 ! 0.9978 226:20 Seq 2.72, 2.79 A assign (resid 99 and name HN) (resid 98 and name HA1) 3.15 1.35 1.35 ! 0.0000 227:20 Seq 3.29, 3.39 A assign (resid 39 and name HN) (resid 39 and name HA2) 2.65 0.85 0.85 ! 0.0000 228:20 Intra 2.28, 2.32 A assign (resid 39 and name HN) (resid 39 and name HA1) 2.65 0.85 0.85 ! 0.0000 229:20 Intra 2.81, 2.87 A assign (resid 12 and name HN) (resid 11 and name HA2) 3.15 1.35 1.35 ! 0.0000 230:20 Seq 3.47, 3.49 A assign (resid 49 and name HN) (resid 49 and name HA1) 2.65 0.85 0.85 ! 0.0000 231:20 Intra 2.93, 2.95 A assign (resid 50 and name HN) (resid 49 and name HA1) 3.15 1.35 1.35 ! 0.0000 232:20 Seq 3.29, 3.41 A assign (resid 98 and name HN) (resid 98 and name HA1) 2.65 0.85 0.85 ! 0.9935 233:20 Intra 2.89, 2.93 A assign (resid 18 and name HN) (resid 18 and name HA2) 2.65 0.85 0.85 ! 0.0000 234:20 Intra 2.80, 2.88 A assign (resid 99 and name HG1*) (resid 83 and name HB2) 3.15 1.35 1.35 ! 0.4160 245:20 Ambig 2.31, 3.02 A or (resid 83 and name HD1*) (resid 83 and name HB2) ! 0.3180 245:20 ----- 2.42, 3.07 A or (resid 83 and name HD2*) (resid 83 and name HB2) ! 0.2459 245:20 ----- 2.52, 3.19 A assign (resid 99 and name HG1*) (resid 83 and name HB1) 3.15 1.35 1.35 ! 0.7209 246:20 Ambig 2.79, 3.73 A or (resid 83 and name HD1*) (resid 83 and name HB1) ! 0.1498 246:20 ----- 3.63, 3.90 A or (resid 82 and name HD1*) (resid 83 and name HB1) ! 0.0517 246:20 ----- 4.33, 5.93 A or (resid 90 and name HG1*) (resid 83 and name HB1) ! 0.0309 246:20 ----- 4.72, 6.34 A assign (resid 14 and name HN) (resid 13 and name HB1) 3.15 1.35 1.35 ! 0.9885 247:20 Seq 2.44, 3.27 A assign (resid 54 and name HN) (resid 53 and name HD2) 3.65 1.85 1.85 ! 0.9725 248:20 Seq 2.09, 3.38 A assign (resid 112 and name HN) (resid 112 and name HB*) 3.65 1.85 1.85 ! 0.0000 249:20 Intra 2.46, 3.28 A assign (resid 83 and name HN) (resid 82 and name HB*) 3.65 1.85 1.85 ! 0.0000 250:20 Seq 2.81, 4.17 A assign (resid 48 and name HN) (resid 48 and name HD1) 3.65 1.85 1.85 ! 0.8421 251:20 Ambig 4.87, 4.97 A or (resid 19 and name HN) (resid 48 and name HD1) ! 0.1579 251:20 ----- 6.44, 7.47 A assign (resid 2 and name HD*) (resid 2 and name HB*) 2.65 0.85 0.85 ! 0.9843 252:20 Intra 2.30, 3.03 A assign (resid 101 and name HN) (resid 95 and name HE*) 3.15 1.35 1.35 ! 0.0000 253:20 Long 2.34, 3.94 A assign (resid 13 and name HN) (resid 13 and name HB2) 2.65 0.85 0.85 ! 0.5532 254:20 Ambig 2.08, 2.55 A or (resid 77 and name HD*) (resid 97 and name HB1) ! 0.4468 254:20 ----- 2.15, 4.25 A assign (resid 13 and name HN) (resid 13 and name HB1) 3.15 1.35 1.35 ! 0.0000 255:20 Intra 2.45, 3.08 A assign (resid 97 and name HN) (resid 97 and name HB1) 3.15 1.35 1.35 ! 0.0000 256:20 Intra 3.58, 3.61 A assign (resid 97 and name HN) (resid 97 and name HB2) 3.15 1.35 1.35 ! 0.0000 257:20 Intra 2.45, 2.48 A assign (resid 82 and name HN) (resid 82 and name HB*) 2.65 0.85 0.85 ! 0.9841 258:20 Intra 2.34, 2.54 A assign (resid 12 and name HA) (resid 12 and name HE*) 3.65 1.85 1.85 ! 0.0000 259:20 Intra 3.21, 4.76 A assign (resid 2 and name HA) (resid 2 and name HB*) 3.15 1.35 1.35 ! 0.9913 260:20 Intra 2.44, 2.75 A assign (resid 102 and name HA) (resid 102 and name HB) 3.15 1.35 1.35 ! 0.0000 261:20 Intra 2.54, 2.57 A assign (resid 3 and name HA) (resid 82 and name HB*) 3.15 1.35 1.35 ! 0.0000 262:20 Long 2.06, 2.95 A assign (resid 48 and name HA) (resid 48 and name HD1) 3.15 1.35 1.35 ! 0.9751 263:20 Intra 4.18, 4.29 A assign (resid 48 and name HA) (resid 48 and name HD2) 3.15 1.35 1.35 ! 0.0000 264:20 Intra 4.53, 4.57 A assign (resid 53 and name HA) (resid 53 and name HD1) 3.65 1.85 1.85 ! 0.0000 266:20 Intra 2.28, 3.49 A assign (resid 53 and name HA) (resid 53 and name HD2) 3.15 1.35 1.35 ! 0.0000 267:20 Intra 1.99, 3.02 A assign (resid 34 and name HA) (resid 37 and name HE*) 3.65 1.85 1.85 ! 0.0000 271:20 Mid 2.05, 4.24 A assign (resid 34 and name HA) (resid 37 and name HE*) 3.65 1.85 1.85 ! 0.9852 273:20 Mid 2.05, 4.24 A assign (resid 58 and name HA) (resid 58 and name HE*) 3.65 1.85 1.85 ! 0.0000 276:20 Intra 1.97, 4.98 A assign (resid 92 and name HA) (resid 95 and name HE*) 2.65 0.85 0.85 ! 0.6237 277:20 Ambig 2.78, 4.56 A or (resid 95 and name HA) (resid 95 and name HE*) ! 0.3763 277:20 ----- 3.03, 4.45 A assign (resid 97 and name HA) (resid 97 and name HB1) 3.15 1.35 1.35 ! 0.9821 278:20 Intra 2.42, 2.46 A assign (resid 68 and name HA) (resid 30 and name HB2) 3.15 1.35 1.35 ! 0.6899 280:20 Ambig 2.10, 2.56 A or (resid 65 and name HA) (resid 65 and name HB1) ! 0.2950 280:20 ----- 2.42, 2.48 A assign (resid 112 and name HA) (resid 112 and name HB*) 2.65 0.85 0.85 ! 0.0000 281:20 Intra 2.36, 2.68 A assign (resid 107 and name HA) (resid 107 and name HB2) 3.15 1.35 1.35 ! 0.9787 282:20 Intra 2.47, 2.52 A assign (resid 82 and name HA) (resid 82 and name HB*) 2.65 0.85 0.85 ! 0.9923 283:20 Intra 2.49, 2.81 A assign (resid 45 and name HA) (resid 48 and name HD1) 3.65 1.85 1.85 ! 0.0000 284:20 Mid 4.72, 5.29 A assign (resid 45 and name HA) (resid 48 and name HD2) 3.65 1.85 1.85 ! 0.0000 285:20 Mid 3.07, 3.75 A assign (resid 33 and name HB*) (resid 37 and name HE*) 3.65 1.85 1.85 ! 0.9008 288:20 Ambig 2.78, 6.35 A or (resid 37 and name HA) (resid 37 and name HE*) ! 0.0590 288:20 ----- 4.38, 5.32 A assign (resid 88 and name HA) (resid 88 and name HE*) 3.65 1.85 1.85 ! 0.0000 290:20 Intra 2.04, 4.97 A assign (resid 13 and name HA) (resid 13 and name HB2) 3.15 1.35 1.35 ! 0.9192 293:20 Ambig 2.39, 2.75 A or (resid 14 and name HA) (resid 13 and name HB2) ! 0.0468 293:20 ----- 3.93, 4.77 A assign (resid 103 and name HD2) (resid 102 and name HB) 3.15 1.35 1.35 ! 0.0000 294:20 Seq 2.11, 2.33 A assign (resid 103 and name HD1) (resid 102 and name HB) 3.65 1.85 1.85 ! 0.0000 295:20 Seq 2.87, 3.29 A assign (resid 13 and name HA) (resid 13 and name HB1) 3.15 1.35 1.35 ! 0.9503 296:20 Intra 2.36, 2.67 A assign (resid 48 and name HB2) (resid 48 and name HD1) 3.15 1.35 1.35 ! 0.0000 307:20 Intra 2.89, 3.08 A assign (resid 48 and name HB2) (resid 48 and name HD2) 3.15 1.35 1.35 ! 0.0000 308:20 Intra 2.32, 2.44 A assign (resid 48 and name HB1) (resid 48 and name HD1) 2.65 0.85 0.85 ! 0.7940 309:20 Ambig 2.39, 2.50 A or (resid 48 and name HG1) (resid 48 and name HD1) ! 0.2060 309:20 ----- 2.99, 3.01 A assign (resid 48 and name HG1) (resid 48 and name HD2) 2.65 0.85 0.85 ! 0.7139 310:20 Ambig 2.38, 2.45 A or (resid 48 and name HB1) (resid 48 and name HD2) ! 0.2861 310:20 ----- 2.77, 2.98 A assign (resid 12 and name HB1) (resid 12 and name HE*) 3.15 1.35 1.35 ! 0.0000 311:20 Intra 1.89, 3.20 A assign (resid 1 and name HG2) (resid 2 and name HB*) 3.15 1.35 1.35 ! 0.0000 312:20 Seq 4.14, 4.92 A assign (resid 95 and name HB*) (resid 95 and name HE*) 2.65 0.85 0.85 ! 0.9983 313:20 Intra 1.91, 3.13 A assign (resid 93 and name HB2) (resid 93 and name HE2) 3.65 1.85 1.85 ! 0.5126 314:20 Ambig 3.20, 4.51 A or (resid 62 and name HB) (resid 93 and name HE2) ! 0.4585 314:20 ----- 3.26, 5.26 A assign (resid 106 and name HG2) (resid 102 and name HB) 3.65 1.85 1.85 ! 0.7801 316:20 Ambig 2.16, 3.77 A or (resid 106 and name HG1) (resid 102 and name HB) ! 0.2074 316:20 ----- 2.69, 3.61 A assign (resid 106 and name HB2) (resid 102 and name HB) 3.15 1.35 1.35 ! 0.6195 317:20 Ambig 2.00, 2.74 A or (resid 106 and name HB1) (resid 102 and name HB) ! 0.3661 317:20 ----- 2.18, 2.75 A assign (resid 53 and name HG*) (resid 53 and name HD1) 2.65 0.85 0.85 ! 0.9750 319:20 Intra 2.32, 2.70 A assign (resid 37 and name HD*) (resid 37 and name HE*) 2.30 0.50 0.50 ! 0.0000 320:20 Intra 2.34, 2.66 A assign (resid 12 and name HD1) (resid 12 and name HE*) 2.30 0.50 0.50 ! 0.5832 321:20 Ambig 2.32, 2.64 A or (resid 12 and name HG1) (resid 12 and name HE*) ! 0.4010 321:20 ----- 2.47, 3.46 A assign (resid 21 and name HG*) (resid 21 and name HE*) 2.30 0.50 0.50 ! 0.3516 322:20 Ambig 2.23, 3.11 A or (resid 58 and name HG*) (resid 58 and name HE*) ! 0.2481 322:20 ----- 2.36, 3.22 A or (resid 61 and name HG1) (resid 61 and name HE*) ! 0.2038 322:20 ----- 2.44, 3.15 A or (resid 37 and name HG1) (resid 37 and name HE*) ! 0.1965 322:20 ----- 2.46, 3.39 A assign (resid 12 and name HG2) (resid 12 and name HE*) 2.65 0.85 0.85 ! 0.0000 323:20 Intra 2.41, 3.23 A assign (resid 95 and name HD2) (resid 95 and name HE*) 2.30 0.50 0.50 ! 0.5054 324:20 Ambig 2.36, 2.70 A or (resid 95 and name HD1) (resid 95 and name HE*) ! 0.4754 324:20 ----- 2.39, 2.69 A assign (resid 24 and name HD1) (resid 24 and name HE*) 2.30 0.50 0.50 ! 0.5064 325:20 Ambig 2.31, 2.69 A or (resid 24 and name HD2) (resid 24 and name HE*) ! 0.4241 325:20 ----- 2.38, 2.71 A or (resid 79 and name HB2) (resid 2 and name HB*) ! 0.0593 325:20 ----- 3.30, 4.05 A assign (resid 24 and name HG1) (resid 24 and name HE*) 2.65 0.85 0.85 ! 0.9329 326:20 Ambig 2.39, 2.95 A or (resid 24 and name HB1) (resid 24 and name HE*) ! 0.0671 326:20 ----- 3.71, 4.52 A assign (resid 14 and name HG2) (resid 14 and name HE*) 2.65 0.85 0.85 ! 0.5266 327:20 Ambig 2.39, 3.33 A or (resid 61 and name HG2) (resid 61 and name HE*) ! 0.4734 327:20 ----- 2.43, 3.16 A assign (resid 107 and name HG) (resid 107 and name HB1) 3.65 1.85 1.85 ! 0.9732 328:20 Intra 2.48, 2.51 A assign (resid 27 and name HG2*) (resid 27 and name HB) 2.65 0.85 0.85 ! 0.5414 331:20 Ambig 2.35, 2.62 A or (resid 27 and name HG12) (resid 27 and name HB) ! 0.4511 331:20 ----- 2.42, 2.57 A assign (resid 17 and name HD2*) (resid 48 and name HD1) 3.15 1.35 1.35 ! 0.0000 335:20 Long 3.15, 4.21 A assign (resid 51 and name HD1*) (resid 53 and name HD1) 3.65 1.85 1.85 ! 0.6656 336:20 Ambig 4.50, 6.14 A or (resid 4 and name HG2*) (resid 53 and name HD1) ! 0.3344 336:20 ----- 5.04, 7.76 A assign (resid 75 and name HG1*) (resid 53 and name HD1) 3.15 1.35 1.35 ! 0.6858 337:20 Ambig 2.26, 4.78 A or (resid 26 and name HG1*) (resid 53 and name HD1) ! 0.3142 337:20 ----- 2.57, 5.07 A assign (resid 17 and name HD2*) (resid 48 and name HD2) 2.65 0.85 0.85 ! 0.9990 338:20 Long 2.06, 3.13 A assign (resid 104 and name HG2*) (resid 12 and name HE*) 3.15 1.35 1.35 ! 0.6409 341:20 Ambig 2.02, 4.14 A or (resid 104 and name HD1*) (resid 12 and name HE*) ! 0.3591 341:20 ----- 2.23, 4.67 A assign (resid 51 and name HG2*) (resid 24 and name HE*) 2.65 0.85 0.85 ! 0.5323 342:20 Ambig 2.07, 4.11 A or (resid 51 and name HD1*) (resid 24 and name HE*) ! 0.4359 342:20 ----- 2.14, 4.58 A assign (resid 91 and name HG2*) (resid 95 and name HE*) 2.30 0.50 0.50 ! 0.9646 343:20 Mid 1.92, 3.71 A assign (resid 62 and name HG1*) (resid 93 and name HE1) 2.65 0.85 0.85 ! 0.3675 344:20 Ambig 2.11, 5.09 A or (resid 97 and name HD1*) (resid 93 and name HE1) ! 0.3604 344:20 ----- 2.12, 4.69 A or (resid 97 and name HD2*) (resid 93 and name HE1) ! 0.1825 344:20 ----- 2.37, 5.00 A or (resid 73 and name HD1*) (resid 93 and name HE1) ! 0.0814 344:20 ----- 2.71, 5.63 A assign (resid 73 and name HD1*) (resid 93 and name HE2) 2.65 0.85 0.85 ! 0.3420 345:20 Ambig 2.16, 5.79 A or (resid 62 and name HG2*) (resid 93 and name HE2) ! 0.2577 345:20 ----- 2.27, 5.76 A or (resid 62 and name HG1*) (resid 93 and name HE2) ! 0.1873 345:20 ----- 2.39, 4.49 A or (resid 97 and name HD1*) (resid 93 and name HE2) ! 0.1865 345:20 ----- 2.39, 5.58 A assign (resid 107 and name HD1*) (resid 107 and name HB1) 2.65 0.85 0.85 ! 0.8597 347:20 Ambig 2.37, 3.04 A or (resid 107 and name HD2*) (resid 107 and name HB1) ! 0.0629 347:20 ----- 3.66, 3.91 A or (resid 104 and name HG12) (resid 107 and name HB1) ! 0.0448 347:20 ----- 3.87, 4.28 A assign (resid 84 and name HG2*) (resid 107 and name HB1) 3.15 1.35 1.35 ! 0.3435 348:20 Ambig 3.43, 4.40 A or (resid 102 and name HD1*) (resid 107 and name HB1) ! 0.2673 348:20 ----- 3.58, 4.12 A or (resid 84 and name HD1*) (resid 107 and name HB1) ! 0.1682 348:20 ----- 3.87, 5.11 A or (resid 108 and name HD2*) (resid 107 and name HB1) ! 0.1595 348:20 ----- 3.90, 4.97 A or (resid 16 and name HD1*) (resid 107 and name HB1) ! 0.0327 348:20 ----- 5.08, 6.05 A assign (resid 13 and name HD1*) (resid 13 and name HB2) 2.30 0.50 0.50 ! 0.5678 349:20 Ambig 2.25, 3.01 A or (resid 13 and name HD2*) (resid 13 and name HB2) ! 0.3575 349:20 ----- 2.43, 3.54 A or (resid 5 and name HD1*) (resid 13 and name HB2) ! 0.0232 349:20 ----- 3.84, 6.01 A or (resid 17 and name HD2*) (resid 13 and name HB2) ! 0.0175 349:20 ----- 4.02, 6.51 A assign (resid 50 and name HG1*) (resid 27 and name HB) 2.65 0.85 0.85 ! 0.9902 350:20 Long 2.09, 2.86 A assign (resid 27 and name HD1*) (resid 27 and name HB) 2.65 0.85 0.85 ! 0.7195 351:20 Ambig 2.55, 3.31 A or (resid 42 and name HD1*) (resid 27 and name HB) ! 0.2168 351:20 ----- 3.11, 4.51 A or (resid 13 and name HD1*) (resid 27 and name HB) ! 0.0320 351:20 ----- 4.28, 6.28 A assign (resid 13 and name HD2*) (resid 13 and name HB1) 2.30 0.50 0.50 ! 0.5392 352:20 Ambig 2.33, 3.02 A or (resid 13 and name HD1*) (resid 13 and name HB1) ! 0.4242 352:20 ----- 2.43, 3.44 A assign (resid 79 and name HD2*) (resid 79 and name HB1) 3.15 1.35 1.35 ! 0.0000 353:20 Intra 2.43, 3.09 A assign (resid 79 and name HD2*) (resid 79 and name HB2) 3.65 1.85 1.85 ! 0.0000 354:20 Intra 3.65, 3.88 A assign (resid 112 and name HD1*) (resid 112 and name HB*) 2.65 0.85 0.85 ! 0.5297 355:20 Ambig 2.35, 3.13 A or (resid 112 and name HD2*) (resid 112 and name HB*) ! 0.4703 355:20 ----- 2.39, 3.44 A assign (resid 99 and name HG2*) (resid 97 and name HB2) 2.30 0.50 0.50 ! 0.5143 356:20 Ambig 2.37, 3.56 A or (resid 97 and name HD1*) (resid 97 and name HB2) ! 0.4401 356:20 ----- 2.43, 3.06 A assign (resid 30 and name HD2*) (resid 30 and name HB1) 2.65 0.85 0.85 ! 0.4643 357:20 Ambig 2.43, 3.12 A or (resid 107 and name HD2*) (resid 107 and name HB2) ! 0.3202 357:20 ----- 2.58, 3.22 A or (resid 84 and name HG12) (resid 107 and name HB2) ! 0.1488 357:20 ----- 2.93, 3.36 A or (resid 107 and name HD1*) (resid 107 and name HB2) ! 0.0476 357:20 ----- 3.55, 3.89 A assign (resid 102 and name HD1*) (resid 107 and name HB2) 2.65 0.85 0.85 ! 0.6493 358:20 Ambig 2.03, 2.51 A or (resid 30 and name HD1*) (resid 30 and name HB1) ! 0.2120 358:20 ----- 2.44, 3.09 A or (resid 84 and name HG2*) (resid 107 and name HB2) ! 0.1132 358:20 ----- 2.71, 4.08 A assign (resid 3 and name HB*) (resid 82 and name HB*) 2.65 0.85 0.85 ! 0.7018 359:20 Ambig 2.57, 4.03 A or (resid 102 and name HD1*) (resid 82 and name HB*) ! 0.2688 359:20 ----- 3.01, 6.54 A assign (resid 82 and name HD1*) (resid 82 and name HB*) 2.30 0.50 0.50 ! 0.5168 360:20 Ambig 2.40, 3.45 A or (resid 82 and name HD2*) (resid 82 and name HB*) ! 0.4803 360:20 ----- 2.43, 3.49 A assign (resid 79 and name HD1*) (resid 53 and name HD1) 3.65 1.85 1.85 ! 0.0000 361:20 Long 2.13, 5.08 A assign (resid 79 and name HD1*) (resid 53 and name HD2) 3.65 1.85 1.85 ! 0.0000 362:20 Long 3.11, 5.76 A assign (resid 79 and name HD1*) (resid 79 and name HB2) 3.15 1.35 1.35 ! 0.0000 363:20 Intra 2.40, 3.03 A assign (resid 79 and name HD1*) (resid 79 and name HB1) 3.15 1.35 1.35 ! 0.0000 364:20 Intra 2.48, 3.10 A assign (resid 105 and name HN) (resid 104 and name HB) 3.15 1.35 1.35 ! 0.0000 365:20 Seq 2.65, 2.81 A assign (resid 77 and name HN) (resid 77 and name HB2) 2.65 0.85 0.85 ! 0.9218 366:20 Ambig 2.49, 2.55 A or (resid 78 and name HN) (resid 77 and name HB2) ! 0.0782 366:20 ----- 3.76, 3.82 A assign (resid 78 and name HN) (resid 77 and name HB1) 3.15 1.35 1.35 ! 0.5070 367:20 Ambig 2.38, 2.50 A or (resid 77 and name HN) (resid 77 and name HB1) ! 0.4930 367:20 ----- 2.39, 2.45 A assign (resid 100 and name HN) (resid 100 and name HB2) 3.15 1.35 1.35 ! 0.0000 368:20 Intra 2.65, 2.72 A assign (resid 15 and name HN) (resid 15 and name HG1) 3.15 1.35 1.35 ! 0.0000 369:20 Intra 2.07, 2.33 A assign (resid 100 and name HN) (resid 100 and name HB1) 2.65 0.85 0.85 ! 0.0000 370:20 Intra 2.51, 2.59 A assign (resid 15 and name HN) (resid 15 and name HG2) 3.15 1.35 1.35 ! 0.0000 371:20 Intra 3.29, 3.50 A assign (resid 84 and name HN) (resid 84 and name HB) 3.15 1.35 1.35 ! 0.9969 372:20 Intra 2.51, 2.58 A assign (resid 80 and name HN) (resid 80 and name HB2) 3.15 1.35 1.35 ! 0.0000 373:20 Intra 3.04, 3.19 A assign (resid 89 and name HN) (resid 89 and name HB2) 2.65 0.85 0.85 ! 0.0000 374:20 Intra 2.35, 2.63 A assign (resid 34 and name HN) (resid 34 and name HB1) 3.65 1.85 1.85 ! 0.9965 375:20 Intra 2.38, 2.51 A assign (resid 21 and name HN) (resid 20 and name HB1) 2.65 0.85 0.85 ! 0.4569 376:20 Ambig 2.16, 2.82 A or (resid 20 and name HN) (resid 20 and name HB1) ! 0.2587 376:20 ----- 2.38, 2.64 A or (resid 92 and name HN) (resid 92 and name HB2) ! 0.2582 376:20 ----- 2.38, 2.67 A assign (resid 93 and name HN) (resid 92 and name HB1) 2.65 0.85 0.85 ! 0.4525 377:20 Ambig 2.20, 2.60 A or (resid 92 and name HN) (resid 92 and name HB1) ! 0.3209 377:20 ----- 2.33, 2.49 A or (resid 20 and name HN) (resid 20 and name HB2) ! 0.1908 377:20 ----- 2.54, 2.76 A assign (resid 47 and name HN) (resid 47 and name HB2) 2.65 0.85 0.85 ! 0.0000 378:20 Intra 2.40, 2.55 A assign (resid 43 and name HN) (resid 43 and name HB1) 3.15 1.35 1.35 ! 0.0000 379:20 Intra 2.43, 2.95 A assign (resid 89 and name HN) (resid 89 and name HB1) 2.65 0.85 0.85 ! 0.9993 380:20 Intra 2.14, 2.63 A assign (resid 80 and name HN) (resid 80 and name HB1) 3.15 1.35 1.35 ! 0.0000 381:20 Intra 3.61, 3.75 A assign (resid 51 and name HN) (resid 51 and name HB) 3.15 1.35 1.35 ! 0.8957 382:20 Ambig 3.67, 3.72 A or (resid 71 and name HN) (resid 65 and name HB1) ! 0.0443 382:20 ----- 6.06, 6.79 A or (resid 83 and name HN) (resid 102 and name HB) ! 0.0252 382:20 ----- 6.66, 7.08 A assign (resid 52 and name HN) (resid 51 and name HB) 3.15 1.35 1.35 ! 0.9848 383:20 Seq 2.38, 2.57 A assign (resid 47 and name HN) (resid 46 and name HB2) 3.15 1.35 1.35 ! 0.5182 384:20 Ambig 2.42, 2.48 A or (resid 46 and name HN) (resid 46 and name HB2) ! 0.4818 384:20 ----- 2.45, 2.50 A assign (resid 36 and name HN) (resid 36 and name HB) 3.15 1.35 1.35 ! 0.0000 385:20 Intra 2.48, 2.55 A assign (resid 37 and name HN) (resid 36 and name HB) 3.65 1.85 1.85 ! 0.0000 386:20 Seq 2.34, 2.49 A assign (resid 73 and name HN) (resid 73 and name HB) 3.15 1.35 1.35 ! 0.0000 387:20 Intra 2.44, 2.57 A assign (resid 104 and name HN) (resid 104 and name HB) 2.65 0.85 0.85 ! 0.5576 388:20 Ambig 2.27, 2.36 A or (resid 92 and name HN) (resid 91 and name HB) ! 0.4410 388:20 ----- 2.36, 2.46 A assign (resid 17 and name HN) (resid 17 and name HB2) 3.15 1.35 1.35 ! 0.9969 389:20 Intra 2.20, 2.47 A assign (resid 3 and name HN) (resid 23 and name HB1) 3.65 1.85 1.85 ! 0.8308 390:20 Ambig 3.00, 3.30 A or (resid 43 and name HN) (resid 42 and name HB) ! 0.1438 390:20 ----- 4.01, 4.09 A assign (resid 42 and name HN) (resid 42 and name HB) 2.65 0.85 0.85 ! 0.9968 391:20 Intra 2.63, 2.89 A assign (resid 40 and name HN) (resid 40 and name HB) 2.65 0.85 0.85 ! 0.9967 392:20 Intra 2.43, 2.53 A assign (resid 55 and name HD*) (resid 55 and name HB1) 3.15 1.35 1.35 ! 0.9850 393:20 Intra 2.28, 3.03 A assign (resid 55 and name HD*) (resid 55 and name HB2) 3.15 1.35 1.35 ! 0.9851 394:20 Intra 2.28, 3.06 A assign (resid 80 and name HD21) (resid 80 and name HB2) 3.15 1.35 1.35 ! 0.9987 395:20 Intra 2.23, 2.91 A assign (resid 90 and name HN) (resid 89 and name HB2) 3.65 1.85 1.85 ! 0.6908 396:20 Ambig 3.52, 3.89 A or (resid 92 and name HD21) (resid 89 and name HB2) ! 0.3092 396:20 ----- 4.02, 5.56 A assign (resid 92 and name HD21) (resid 92 and name HB2) 3.65 1.85 1.85 ! 0.9876 397:20 Intra 2.42, 3.31 A assign (resid 92 and name HD21) (resid 92 and name HB1) 3.65 1.85 1.85 ! 0.9975 398:20 Intra 2.09, 2.34 A assign (resid 20 and name HD21) (resid 20 and name HB1) 3.15 1.35 1.35 ! 0.9918 399:20 Intra 2.19, 2.89 A assign (resid 20 and name HD21) (resid 20 and name HB2) 3.15 1.35 1.35 ! 0.9845 400:20 Intra 2.15, 2.68 A assign (resid 100 and name HD21) (resid 100 and name HB2) 3.15 1.35 1.35 ! 0.9744 401:20 Intra 2.86, 2.99 A assign (resid 48 and name HN) (resid 47 and name HB1) 3.15 1.35 1.35 ! 0.0000 402:20 Seq 2.41, 2.68 A assign (resid 48 and name HN) (resid 47 and name HB2) 3.65 1.85 1.85 ! 0.0000 403:20 Seq 3.81, 3.96 A assign (resid 90 and name HN) (resid 89 and name HB1) 3.65 1.85 1.85 ! 0.9792 404:20 Seq 2.56, 2.81 A assign (resid 100 and name HD21) (resid 100 and name HB1) 3.15 1.35 1.35 ! 0.9217 405:20 Ambig 2.24, 2.28 A or (resid 22 and name HD22) (resid 22 and name HB1) ! 0.0699 405:20 ----- 3.44, 3.69 A assign (resid 22 and name HD22) (resid 22 and name HB2) 3.65 1.85 1.85 ! 0.0000 406:20 Intra 3.46, 3.75 A assign (resid 80 and name HD21) (resid 80 and name HB1) 3.15 1.35 1.35 ! 0.9992 407:20 Intra 2.14, 3.00 A assign (resid 101 and name HN) (resid 100 and name HB1) 3.65 1.85 1.85 ! 0.0000 408:20 Seq 4.35, 4.38 A assign (resid 91 and name HN) (resid 91 and name HB) 3.15 1.35 1.35 ! 0.0000 409:20 Intra 2.42, 2.47 A assign (resid 80 and name HD22) (resid 80 and name HB2) 3.65 1.85 1.85 ! 0.0000 410:20 Intra 3.48, 3.79 A assign (resid 20 and name HD22) (resid 20 and name HB1) 3.15 1.35 1.35 ! 0.5453 411:20 Ambig 3.46, 3.78 A or (resid 92 and name HD22) (resid 92 and name HB2) ! 0.4547 411:20 ----- 3.57, 3.97 A assign (resid 92 and name HD22) (resid 92 and name HB1) 3.15 1.35 1.35 ! 0.5211 412:20 Ambig 3.41, 3.52 A or (resid 20 and name HD22) (resid 20 and name HB2) ! 0.4789 412:20 ----- 3.45, 3.68 A assign (resid 100 and name HD22) (resid 100 and name HB2) 3.65 1.85 1.85 ! 0.9024 413:20 Ambig 3.76, 3.83 A or (resid 80 and name HD22) (resid 100 and name HB2) ! 0.0976 413:20 ----- 5.45, 7.00 A assign (resid 80 and name HD22) (resid 80 and name HB1) 3.15 1.35 1.35 ! 0.0000 414:20 Intra 3.46, 3.84 A assign (resid 22 and name HD21) (resid 22 and name HB1) 3.65 1.85 1.85 ! 0.9493 415:20 Ambig 2.14, 2.69 A or (resid 100 and name HD22) (resid 100 and name HB1) ! 0.0507 415:20 ----- 3.48, 3.51 A assign (resid 23 and name HD*) (resid 23 and name HB2) 3.15 1.35 1.35 ! 0.9847 416:20 Intra 2.28, 3.03 A assign (resid 23 and name HN) (resid 23 and name HB1) 3.65 1.85 1.85 ! 0.7235 417:20 Ambig 3.58, 3.69 A or (resid 10 and name HD*) (resid 42 and name HB) ! 0.2143 417:20 ----- 4.38, 6.54 A or (resid 45 and name HN) (resid 42 and name HB) ! 0.0622 417:20 ----- 5.38, 5.63 A assign (resid 23 and name HD*) (resid 23 and name HB1) 3.15 1.35 1.35 ! 0.9586 418:20 Intra 2.40, 3.06 A assign (resid 64 and name HA) (resid 64 and name HB2) 2.30 0.50 0.50 ! 0.0000 419:20 Intra 2.40, 2.48 A assign (resid 64 and name HA) (resid 64 and name HB1) 2.65 0.85 0.85 ! 0.0000 420:20 Intra 2.44, 2.86 A assign (resid 80 and name HA) (resid 80 and name HB2) 2.65 0.85 0.85 ! 0.0000 421:20 Intra 2.52, 2.63 A assign (resid 47 and name HA) (resid 47 and name HB1) 2.65 0.85 0.85 ! 0.8874 422:20 Ambig 3.01, 3.02 A or (resid 48 and name HA) (resid 47 and name HB1) ! 0.1126 422:20 ----- 4.24, 4.37 A assign (resid 44 and name HA) (resid 47 and name HB1) 3.15 1.35 1.35 ! 0.0000 423:20 Mid 2.18, 2.49 A assign (resid 89 and name HA) (resid 89 and name HB2) 2.65 0.85 0.85 ! 0.0000 424:20 Intra 2.38, 2.52 A assign (resid 77 and name HA) (resid 77 and name HB1) 3.15 1.35 1.35 ! 0.0000 425:20 Intra 3.01, 3.03 A assign (resid 34 and name HA) (resid 34 and name HB1) 3.15 1.35 1.35 ! 0.9721 426:20 Intra 3.02, 3.03 A assign (resid 20 and name HA) (resid 20 and name HB1) 3.15 1.35 1.35 ! 0.0000 427:20 Intra 2.98, 3.01 A assign (resid 20 and name HA) (resid 20 and name HB2) 2.65 0.85 0.85 ! 0.0000 428:20 Intra 2.37, 2.49 A assign (resid 89 and name HA) (resid 92 and name HB1) 3.15 1.35 1.35 ! 0.0000 429:20 Mid 1.87, 2.36 A assign (resid 92 and name HA) (resid 92 and name HB2) 2.65 0.85 0.85 ! 0.9987 430:20 Intra 2.36, 2.44 A assign (resid 92 and name HA) (resid 92 and name HB1) 2.65 0.85 0.85 ! 0.0000 431:20 Intra 2.32, 2.96 A assign (resid 100 and name HA) (resid 100 and name HB2) 2.65 0.85 0.85 ! 0.9736 432:20 Intra 2.44, 2.48 A assign (resid 47 and name HA) (resid 47 and name HB2) 2.65 0.85 0.85 ! 0.9931 433:20 Intra 2.38, 2.43 A assign (resid 44 and name HA) (resid 47 and name HB2) 3.15 1.35 1.35 ! 0.0000 434:20 Mid 2.87, 3.38 A assign (resid 89 and name HA) (resid 89 and name HB1) 2.65 0.85 0.85 ! 0.0000 435:20 Intra 2.96, 3.01 A assign (resid 43 and name HA) (resid 43 and name HB2) 2.65 0.85 0.85 ! 0.9980 436:20 Intra 2.37, 2.68 A assign (resid 43 and name HA) (resid 43 and name HB1) 3.15 1.35 1.35 ! 0.9987 437:20 Intra 2.38, 2.74 A assign (resid 41 and name HA) (resid 41 and name HB2) 3.15 1.35 1.35 ! 0.0000 438:20 Intra 2.40, 2.74 A assign (resid 22 and name HA) (resid 22 and name HB1) 2.65 0.85 0.85 ! 0.9745 439:20 Intra 2.51, 2.96 A assign (resid 22 and name HA) (resid 22 and name HB2) 2.65 0.85 0.85 ! 0.9661 440:20 Intra 2.38, 2.53 A assign (resid 80 and name HA) (resid 80 and name HB1) 2.65 0.85 0.85 ! 0.0000 441:20 Intra 2.56, 2.98 A assign (resid 23 and name HA) (resid 23 and name HB2) 3.65 1.85 1.85 ! 0.0000 442:20 Intra 3.01, 3.03 A assign (resid 51 and name HA) (resid 51 and name HB) 2.65 0.85 0.85 ! 0.0000 443:20 Intra 2.46, 2.49 A assign (resid 43 and name HA) (resid 46 and name HB2) 3.15 1.35 1.35 ! 0.8237 444:20 Ambig 2.33, 2.85 A or (resid 46 and name HA) (resid 46 and name HB2) ! 0.1763 444:20 ----- 3.01, 3.01 A assign (resid 108 and name HA) (resid 108 and name HB1) 3.65 1.85 1.85 ! 0.9674 445:20 Intra 2.47, 2.48 A assign (resid 108 and name HA) (resid 108 and name HB2) 2.65 0.85 0.85 ! 0.9614 446:20 Intra 3.01, 3.02 A assign (resid 46 and name HA) (resid 46 and name HB1) 3.15 1.35 1.35 ! 0.9477 447:20 Ambig 2.43, 2.46 A or (resid 43 and name HA) (resid 46 and name HB1) ! 0.0523 447:20 ----- 3.94, 4.47 A assign (resid 23 and name HA) (resid 23 and name HB1) 3.15 1.35 1.35 ! 0.9907 448:20 Intra 2.43, 2.50 A assign (resid 15 and name HA) (resid 15 and name HG1) 3.15 1.35 1.35 ! 0.9942 450:20 Intra 2.83, 3.05 A assign (resid 99 and name HA) (resid 100 and name HB1) 3.65 1.85 1.85 ! 0.0000 451:20 Seq 4.66, 4.79 A assign (resid 15 and name HA) (resid 15 and name HG2) 2.65 0.85 0.85 ! 0.0000 452:20 Intra 2.41, 2.50 A assign (resid 36 and name HA) (resid 36 and name HB) 3.15 1.35 1.35 ! 0.9896 453:20 Intra 3.03, 3.03 A assign (resid 88 and name HA) (resid 91 and name HB) 2.65 0.85 0.85 ! 0.5000 454:20 Ambig 2.31, 2.70 A or (resid 70 and name HA) (resid 73 and name HB) ! 0.4688 454:20 ----- 2.33, 2.63 A assign (resid 104 and name HA) (resid 104 and name HB) 3.15 1.35 1.35 ! 0.9679 455:20 Intra 2.98, 3.00 A assign (resid 17 and name HA) (resid 17 and name HB2) 3.15 1.35 1.35 ! 0.7342 456:20 Ambig 2.37, 2.47 A or (resid 14 and name HA) (resid 17 and name HB2) ! 0.2216 456:20 ----- 2.90, 4.07 A assign (resid 35 and name HA) (resid 40 and name HB) 3.15 1.35 1.35 ! 0.9751 458:20 Long 2.06, 2.34 A assign (resid 14 and name HA) (resid 17 and name HB1) 3.65 1.85 1.85 ! 0.6305 459:20 Ambig 2.34, 3.13 A or (resid 17 and name HA) (resid 17 and name HB1) ! 0.3577 459:20 ----- 2.57, 2.96 A assign (resid 48 and name HG1) (resid 47 and name HB1) 3.65 1.85 1.85 ! 0.9770 468:20 Seq 2.73, 3.14 A assign (resid 86 and name HG2) (resid 104 and name HB) 3.15 1.35 1.35 ! 0.6517 473:20 Ambig 3.27, 3.64 A or (resid 105 and name HG2) (resid 104 and name HB) ! 0.2075 473:20 ----- 3.96, 5.35 A or (resid 103 and name HB2) (resid 104 and name HB) ! 0.1345 473:20 ----- 4.25, 4.74 A assign (resid 14 and name HB2) (resid 15 and name HG1) 2.65 0.85 0.85 ! 0.7337 477:20 Ambig 2.51, 3.29 A or (resid 15 and name HB1) (resid 15 and name HG1) ! 0.2572 477:20 ----- 2.99, 3.00 A assign (resid 14 and name HB1) (resid 15 and name HG1) 4.15 2.35 2.35 ! 0.4398 478:20 Ambig 3.67, 4.54 A or (resid 12 and name HD2) (resid 15 and name HG1) ! 0.2805 478:20 ----- 3.96, 6.22 A or (resid 14 and name HD*) (resid 15 and name HG1) ! 0.2550 478:20 ----- 4.02, 5.85 A assign (resid 15 and name HB1) (resid 15 and name HG2) 2.65 0.85 0.85 ! 0.9113 480:20 Ambig 2.37, 2.44 A or (resid 14 and name HB2) (resid 15 and name HG2) ! 0.0836 480:20 ----- 3.54, 4.35 A assign (resid 69 and name HB2) (resid 65 and name HB1) 2.65 0.85 0.85 ! 0.9005 481:20 Ambig 2.04, 3.03 A or (resid 51 and name HG12) (resid 51 and name HB) ! 0.0852 481:20 ----- 3.03, 3.03 A assign (resid 51 and name HG11) (resid 51 and name HB) 3.15 1.35 1.35 ! 0.9898 482:20 Intra 2.45, 2.48 A assign (resid 27 and name HG12) (resid 5 and name HB) 3.15 1.35 1.35 ! 0.9944 484:20 Long 2.02, 4.01 A assign (resid 84 and name HG11) (resid 84 and name HB) 2.65 0.85 0.85 ! 0.8942 485:20 Ambig 2.46, 2.48 A or (resid 9 and name HB*) (resid 84 and name HB) ! 0.1002 485:20 ----- 3.54, 4.12 A assign (resid 36 and name HG11) (resid 36 and name HB) 3.15 1.35 1.35 ! 0.9990 486:20 Intra 2.44, 2.46 A assign (resid 104 and name HG11) (resid 104 and name HB) 2.30 0.50 0.50 ! 0.8105 487:20 Ambig 2.36, 2.42 A or (resid 91 and name HG12) (resid 91 and name HB) ! 0.1895 487:20 ----- 3.01, 3.02 A assign (resid 40 and name HG12) (resid 40 and name HB) 2.65 0.85 0.85 ! 0.9752 490:20 Intra 3.01, 3.02 A assign (resid 40 and name HG11) (resid 40 and name HB) 3.15 1.35 1.35 ! 0.9926 491:20 Intra 2.45, 2.48 A assign (resid 65 and name HD2*) (resid 89 and name HB2) 3.15 1.35 1.35 ! 0.0000 493:20 Long 3.25, 4.76 A assign (resid 82 and name HD2*) (resid 100 and name HB2) 3.15 1.35 1.35 ! 0.8066 494:20 Ambig 3.71, 4.64 A or (resid 99 and name HG1*) (resid 100 and name HB2) ! 0.1331 494:20 ----- 5.01, 5.88 A or (resid 82 and name HD1*) (resid 100 and name HB2) ! 0.0603 494:20 ----- 5.71, 6.94 A assign (resid 65 and name HD2*) (resid 89 and name HB1) 2.65 0.85 0.85 ! 0.9981 495:20 Long 1.88, 3.16 A assign (resid 108 and name HD1*) (resid 15 and name HG1) 3.65 1.85 1.85 ! 0.6083 496:20 Ambig 4.84, 6.39 A or (resid 108 and name HD2*) (resid 15 and name HG1) ! 0.3917 496:20 ----- 5.20, 6.54 A assign (resid 82 and name HD2*) (resid 100 and name HB1) 3.15 1.35 1.35 ! 0.9685 497:20 Long 2.09, 3.17 A assign (resid 108 and name HD1*) (resid 15 and name HG2) 3.15 1.35 1.35 ! 0.6002 498:20 Ambig 4.13, 5.91 A or (resid 108 and name HD2*) (resid 15 and name HG2) ! 0.3998 498:20 ----- 4.42, 6.01 A assign (resid 51 and name HG2*) (resid 51 and name HB) 2.30 0.50 0.50 ! 0.4889 499:20 Ambig 2.38, 2.63 A or (resid 51 and name HD1*) (resid 51 and name HB) ! 0.2967 499:20 ----- 2.59, 3.18 A or (resid 102 and name HG11) (resid 102 and name HB) ! 0.1182 499:20 ----- 3.02, 3.03 A or (resid 90 and name HG2*) (resid 65 and name HB1) ! 0.0957 499:20 ----- 3.12, 4.36 A assign (resid 5 and name HG2*) (resid 5 and name HB) 2.65 0.85 0.85 ! 0.9890 500:20 Intra 2.43, 2.64 A assign (resid 50 and name HG1*) (resid 5 and name HB) 3.15 1.35 1.35 ! 0.5407 501:20 Ambig 4.11, 5.03 A or (resid 16 and name HD1*) (resid 5 and name HB) ! 0.2000 501:20 ----- 4.85, 5.75 A or (resid 84 and name HD1*) (resid 5 and name HB) ! 0.1403 501:20 ----- 5.15, 6.64 A or (resid 83 and name HD1*) (resid 5 and name HB) ! 0.0561 501:20 ----- 6.00, 6.83 A or (resid 84 and name HG2*) (resid 5 and name HB) ! 0.0406 501:20 ----- 6.33, 7.15 A assign (resid 5 and name HD1*) (resid 5 and name HB) 2.65 0.85 0.85 ! 0.9954 502:20 Intra 2.54, 3.37 A assign (resid 84 and name HG2*) (resid 84 and name HB) 2.30 0.50 0.50 ! 0.4794 503:20 Ambig 2.43, 2.65 A or (resid 84 and name HD1*) (resid 84 and name HB) ! 0.3507 503:20 ----- 2.56, 3.16 A or (resid 16 and name HD1*) (resid 84 and name HB) ! 0.1093 503:20 ----- 3.11, 4.08 A or (resid 5 and name HG11) (resid 84 and name HB) ! 0.0245 503:20 ----- 4.00, 4.51 A assign (resid 36 and name HG2*) (resid 36 and name HB) 2.30 0.50 0.50 ! 0.9903 504:20 Intra 2.41, 2.63 A assign (resid 104 and name HG2*) (resid 104 and name HB) 2.30 0.50 0.50 ! 0.5899 505:20 Ambig 2.38, 2.64 A or (resid 104 and name HD1*) (resid 104 and name HB) ! 0.3801 505:20 ----- 2.56, 3.18 A assign (resid 108 and name HD2*) (resid 108 and name HB1) 2.65 0.85 0.85 ! 0.5318 506:20 Ambig 2.42, 3.11 A or (resid 108 and name HD1*) (resid 108 and name HB1) ! 0.4682 506:20 ----- 2.47, 3.11 A assign (resid 17 and name HD2*) (resid 17 and name HB2) 2.65 0.85 0.85 ! 0.8304 507:20 Ambig 2.13, 3.03 A or (resid 16 and name HG11) (resid 17 and name HB2) ! 0.1422 507:20 ----- 2.86, 3.17 A assign (resid 17 and name HD1*) (resid 17 and name HB2) 3.65 1.85 1.85 ! 0.0000 508:20 Intra 2.40, 3.13 A assign (resid 3 and name HB*) (resid 23 and name HB1) 2.30 0.50 0.50 ! 0.9920 509:20 Long 2.01, 2.92 A assign (resid 42 and name HD1*) (resid 42 and name HB) 2.30 0.50 0.50 ! 0.8793 510:20 Ambig 2.47, 3.11 A or (resid 13 and name HD2*) (resid 42 and name HB) ! 0.0653 510:20 ----- 3.80, 6.32 A or (resid 13 and name HD1*) (resid 42 and name HB) ! 0.0375 510:20 ----- 4.17, 5.89 A assign (resid 40 and name HG2*) (resid 40 and name HB) 2.30 0.50 0.50 ! 0.9635 511:20 Intra 2.40, 2.65 A assign (resid 62 and name HG2*) (resid 65 and name HB2) 3.15 1.35 1.35 ! 0.4718 512:20 Ambig 1.99, 3.44 A or (resid 62 and name HG1*) (resid 65 and name HB2) ! 0.3439 512:20 ----- 2.10, 4.19 A or (resid 65 and name HD1*) (resid 65 and name HB2) ! 0.1618 512:20 ----- 2.38, 3.03 A assign (resid 17 and name HD2*) (resid 17 and name HB1) 3.15 1.35 1.35 ! 0.9448 513:20 Ambig 2.31, 3.02 A or (resid 16 and name HG11) (resid 17 and name HB1) ! 0.0498 513:20 ----- 3.77, 4.11 A assign (resid 17 and name HD1*) (resid 17 and name HB1) 3.15 1.35 1.35 ! 0.0000 514:20 Intra 3.63, 3.89 A assign (resid 16 and name HG2*) (resid 16 and name HB) 3.15 1.35 1.35 ! 0.0000 515:20 Intra 2.39, 2.62 A assign (resid 105 and name HN) (resid 105 and name HG1) 3.15 1.35 1.35 ! 0.0000 516:20 Intra 2.06, 3.16 A assign (resid 105 and name HN) (resid 105 and name HG2) 3.15 1.35 1.35 ! 0.9498 517:20 Ambig 2.70, 3.76 A or (resid 105 and name HN) (resid 106 and name HG1) ! 0.0502 517:20 ----- 4.40, 5.98 A assign (resid 78 and name HN) (resid 78 and name HG1) 3.15 1.35 1.35 ! 0.9159 518:20 Ambig 2.99, 4.18 A or (resid 75 and name HN) (resid 78 and name HG1) ! 0.0438 518:20 ----- 4.96, 6.73 A assign (resid 78 and name HN) (resid 78 and name HG2) 3.15 1.35 1.35 ! 0.9820 519:20 Intra 2.02, 3.84 A assign (resid 55 and name HE*) (resid 78 and name HG1) 3.15 1.35 1.35 ! 0.8052 520:20 Ambig 2.15, 5.34 A or (resid 55 and name HD*) (resid 78 and name HG1) ! 0.1948 520:20 ----- 2.72, 5.75 A assign (resid 96 and name HN) (resid 96 and name HG1) 2.65 0.85 0.85 ! 0.9209 521:20 Ambig 2.12, 2.42 A or (resid 92 and name HD21) (resid 96 and name HG1) ! 0.0767 521:20 ----- 3.20, 3.99 A assign (resid 106 and name HN) (resid 106 and name HG1) 3.15 1.35 1.35 ! 0.9483 523:20 Ambig 2.43, 3.69 A or (resid 106 and name HN) (resid 105 and name HG2) ! 0.0517 523:20 ----- 3.95, 5.11 A assign (resid 106 and name HN) (resid 106 and name HG2) 3.65 1.85 1.85 ! 0.0000 524:20 Intra 2.25, 3.63 A assign (resid 86 and name HN) (resid 86 and name HB2) 3.65 1.85 1.85 ! 0.0000 525:20 Intra 2.29, 2.38 A assign (resid 68 and name HD*) (resid 68 and name HB*) 3.65 1.85 1.85 ! 0.9215 526:20 Ambig 2.24, 3.05 A or (resid 69 and name HN) (resid 68 and name HB*) ! 0.0411 526:20 ----- 3.77, 4.11 A assign (resid 23 and name HD*) (resid 1 and name HB*) 3.15 1.35 1.35 ! 0.6378 527:20 Ambig 2.07, 5.13 A or (resid 23 and name HE*) (resid 1 and name HB*) ! 0.3622 527:20 ----- 2.28, 5.32 A assign (resid 9 and name HA) (resid 86 and name HG2) 2.65 0.85 0.85 ! 0.6390 528:20 Ambig 2.10, 2.48 A or (resid 86 and name HA) (resid 86 and name HG2) ! 0.3610 528:20 ----- 2.31, 2.73 A assign (resid 9 and name HA) (resid 86 and name HG1) 2.65 0.85 0.85 ! 0.9647 529:20 Long 1.92, 2.70 A assign (resid 106 and name HA) (resid 106 and name HG1) 3.15 1.35 1.35 ! 0.0000 530:20 Intra 2.41, 3.23 A assign (resid 106 and name HA) (resid 106 and name HG2) 3.15 1.35 1.35 ! 0.9696 531:20 Intra 2.38, 3.10 A assign (resid 86 and name HA) (resid 86 and name HB1) 2.65 0.85 0.85 ! 0.0000 532:20 Intra 2.49, 2.55 A assign (resid 86 and name HA) (resid 86 and name HB2) 2.65 0.85 0.85 ! 0.9112 533:20 Ambig 2.95, 2.99 A or (resid 20 and name HA) (resid 21 and name HB*) ! 0.0888 533:20 ----- 4.35, 5.33 A assign (resid 96 and name HA) (resid 96 and name HG1) 2.65 0.85 0.85 ! 0.0000 536:20 Intra 3.01, 3.17 A assign (resid 67 and name HA) (resid 67 and name HG1) 3.15 1.35 1.35 ! 0.0000 537:20 Intra 2.51, 3.06 A assign (resid 105 and name HA) (resid 105 and name HG1) 2.65 0.85 0.85 ! 0.0000 539:20 Intra 2.40, 2.76 A assign (resid 105 and name HA) (resid 105 and name HG2) 3.15 1.35 1.35 ! 0.9359 540:20 Ambig 2.42, 3.03 A or (resid 8 and name HB1) (resid 86 and name HG2) ! 0.0260 540:20 ----- 4.40, 6.02 A assign (resid 67 and name HA) (resid 67 and name HG2) 3.65 1.85 1.85 ! 0.0000 541:20 Intra 2.38, 2.97 A assign (resid 1 and name HA) (resid 1 and name HB*) 3.15 1.35 1.35 ! 0.0000 542:20 Intra 2.49, 2.78 A assign (resid 96 and name HB2) (resid 96 and name HG1) 2.30 0.50 0.50 ! 0.0000 544:20 Intra 2.31, 2.37 A assign (resid 67 and name HB1) (resid 67 and name HG1) 2.65 0.85 0.85 ! 0.8787 546:20 Ambig 2.33, 2.84 A or (resid 71 and name HB*) (resid 67 and name HG1) ! 0.1071 546:20 ----- 3.31, 6.64 A assign (resid 113 and name HB2) (resid 113 and name HG*) 2.30 0.50 0.50 ! 0.6020 548:20 Ambig 2.29, 2.64 A or (resid 86 and name HB1) (resid 86 and name HG1) ! 0.3980 548:20 ----- 2.45, 2.51 A assign (resid 113 and name HB1) (resid 113 and name HG*) 2.65 0.85 0.85 ! 0.0000 549:20 Intra 2.31, 2.62 A assign (resid 105 and name HB1) (resid 105 and name HG2) 2.30 0.50 0.50 ! 0.3827 551:20 Ambig 2.28, 2.43 A or (resid 105 and name HB2) (resid 105 and name HG2) ! 0.3024 551:20 ----- 2.37, 2.77 A or (resid 106 and name HB1) (resid 106 and name HG1) ! 0.2759 551:20 ----- 2.41, 2.64 A assign (resid 105 and name HB2) (resid 105 and name HG1) 2.30 0.50 0.50 ! 0.5440 552:20 Ambig 2.31, 2.68 A or (resid 105 and name HB1) (resid 105 and name HG1) ! 0.4549 552:20 ----- 2.38, 2.77 A assign (resid 67 and name HB1) (resid 67 and name HG2) 2.65 0.85 0.85 ! 0.0000 554:20 Intra 2.38, 2.56 A assign (resid 1 and name HG2) (resid 1 and name HB*) 3.15 1.35 1.35 ! 0.0000 557:20 Intra 2.40, 2.73 A assign (resid 1 and name HG2) (resid 1 and name HB*) 3.15 1.35 1.35 ! 0.0000 558:20 Intra 2.40, 2.73 A assign (resid 1 and name HG1) (resid 1 and name HB*) 2.65 0.85 0.85 ! 0.0000 559:20 Intra 2.40, 2.73 A assign (resid 95 and name HG*) (resid 96 and name HG1) 3.15 1.35 1.35 ! 0.6254 561:20 Ambig 3.40, 5.19 A or (resid 93 and name HD1) (resid 96 and name HG1) ! 0.1965 561:20 ----- 4.12, 5.75 A or (resid 93 and name HG2) (resid 96 and name HG1) ! 0.0975 561:20 ----- 4.63, 5.57 A or (resid 97 and name HG) (resid 96 and name HG1) ! 0.0616 561:20 ----- 5.00, 5.41 A assign (resid 86 and name HB2) (resid 86 and name HG2) 2.65 0.85 0.85 ! 0.0000 562:20 Intra 2.45, 2.52 A assign (resid 86 and name HB2) (resid 86 and name HG1) 2.65 0.85 0.85 ! 0.0000 563:20 Intra 2.25, 2.35 A assign (resid 9 and name HB*) (resid 86 and name HG2) 3.15 1.35 1.35 ! 0.9754 564:20 Long 2.77, 3.86 A assign (resid 9 and name HB*) (resid 86 and name HG1) 3.15 1.35 1.35 ! 0.0000 565:20 Long 2.76, 4.85 A assign (resid 30 and name HD1*) (resid 67 and name HG1) 3.65 1.85 1.85 ! 0.0000 569:20 Long 2.27, 5.13 A assign (resid 104 and name HD1*) (resid 86 and name HG2) 2.65 0.85 0.85 ! 0.8475 570:20 Ambig 2.39, 3.25 A or (resid 104 and name HG2*) (resid 105 and name HG2) ! 0.1258 570:20 ----- 3.29, 5.77 A assign (resid 104 and name HD1*) (resid 86 and name HG1) 3.15 1.35 1.35 ! 0.9835 571:20 Long 2.47, 3.52 A assign (resid 30 and name HD1*) (resid 67 and name HG2) 3.65 1.85 1.85 ! 0.0000 572:20 Long 2.18, 4.80 A assign (resid 26 and name HG2*) (resid 26 and name HB) 2.65 0.85 0.85 ! 0.9838 573:20 Intra 2.41, 2.63 A assign (resid 26 and name HG1*) (resid 26 and name HB) 2.30 0.50 0.50 ! 0.6970 574:20 Ambig 2.40, 2.63 A or (resid 4 and name HG1*) (resid 26 and name HB) ! 0.2596 574:20 ----- 2.83, 3.98 A assign (resid 75 and name HG1*) (resid 53 and name HB1) 2.65 0.85 0.85 ! 0.5481 575:20 Ambig 2.16, 3.27 A or (resid 26 and name HG1*) (resid 53 and name HB1) ! 0.4472 575:20 ----- 2.23, 2.72 A assign (resid 26 and name HG1*) (resid 53 and name HB2) 3.15 1.35 1.35 ! 0.9166 576:20 Ambig 2.30, 3.13 A or (resid 75 and name HG1*) (resid 53 and name HB2) ! 0.0799 576:20 ----- 3.46, 4.53 A assign (resid 78 and name HN) (resid 78 and name HB1) 3.15 1.35 1.35 ! 0.9676 577:20 Intra 2.36, 2.67 A assign (resid 78 and name HN) (resid 78 and name HB2) 3.15 1.35 1.35 ! 0.9793 578:20 Intra 2.13, 2.60 A assign (resid 88 and name HN) (resid 88 and name HB*) 2.65 0.85 0.85 ! 0.0000 579:20 Intra 2.28, 2.81 A assign (resid 15 and name HN) (resid 14 and name HB2) 3.15 1.35 1.35 ! 0.0000 580:20 Seq 2.33, 2.76 A assign (resid 14 and name HN) (resid 14 and name HB2) 3.15 1.35 1.35 ! 0.0000 581:20 Intra 2.33, 2.49 A assign (resid 75 and name HN) (resid 75 and name HB) 3.15 1.35 1.35 ! 0.9925 582:20 Intra 2.40, 2.48 A assign (resid 15 and name HN) (resid 14 and name HB1) 3.15 1.35 1.35 ! 0.0000 583:20 Seq 3.51, 3.80 A assign (resid 14 and name HN) (resid 14 and name HB1) 3.15 1.35 1.35 ! 0.0000 584:20 Intra 3.53, 3.57 A assign (resid 15 and name HN) (resid 14 and name HD*) 3.65 1.85 1.85 ! 0.7025 585:20 Ambig 4.22, 5.56 A or (resid 15 and name HN) (resid 12 and name HD2) ! 0.2975 585:20 ----- 4.87, 7.00 A assign (resid 14 and name HN) (resid 14 and name HD*) 3.15 1.35 1.35 ! 0.0000 586:20 Intra 2.06, 4.27 A assign (resid 32 and name HN) (resid 32 and name HB) 3.15 1.35 1.35 ! 0.9760 587:20 Intra 3.69, 3.71 A assign (resid 61 and name HN) (resid 60 and name HB2) 3.65 1.85 1.85 ! 0.0000 588:20 Seq 2.62, 3.51 A assign (resid 104 and name HN) (resid 103 and name HB2) 3.65 1.85 1.85 ! 0.0000 589:20 Seq 2.65, 3.03 A assign (resid 74 and name HN) (resid 74 and name HG2) 3.65 1.85 1.85 ! 0.0000 590:20 Intra 2.29, 2.49 A assign (resid 79 and name HN) (resid 78 and name HB2) 3.65 1.85 1.85 ! 0.0000 591:20 Seq 2.28, 3.65 A assign (resid 52 and name HN) (resid 52 and name HB) 2.65 0.85 0.85 ! 0.9346 592:20 Ambig 2.58, 2.81 A or (resid 53 and name HN) (resid 52 and name HB) ! 0.0654 592:20 ----- 4.02, 4.13 A assign (resid 76 and name HN) (resid 4 and name HB) 3.15 1.35 1.35 ! 0.9617 593:20 Long 3.85, 4.07 A assign (resid 89 and name HN) (resid 88 and name HB*) 2.65 0.85 0.85 ! 0.9766 594:20 Seq 2.36, 3.47 A assign (resid 61 and name HN) (resid 61 and name HB1) 2.65 0.85 0.85 ! 0.7374 595:20 Ambig 2.41, 3.06 A or (resid 61 and name HN) (resid 60 and name HB1) ! 0.2626 595:20 ----- 2.86, 3.66 A assign (resid 95 and name HN) (resid 95 and name HB*) 2.65 0.85 0.85 ! 0.0000 596:20 Intra 2.31, 2.69 A assign (resid 74 and name HN) (resid 74 and name HG1) 3.65 1.85 1.85 ! 0.0000 597:20 Intra 3.38, 3.66 A assign (resid 37 and name HN) (resid 37 and name HB*) 2.30 0.50 0.50 ! 0.9962 598:20 Intra 2.56, 3.15 A assign (resid 93 and name HN) (resid 93 and name HB2) 2.65 0.85 0.85 ! 0.0000 599:20 Intra 2.05, 2.36 A assign (resid 36 and name HN) (resid 36 and name HG12) 2.65 0.85 0.85 ! 0.9880 600:20 Intra 2.11, 2.22 A assign (resid 16 and name HN) (resid 16 and name HG12) 3.15 1.35 1.35 ! 0.7900 601:20 Ambig 1.94, 2.02 A or (resid 17 and name HN) (resid 16 and name HG12) ! 0.2065 601:20 ----- 2.43, 2.72 A assign (resid 61 and name HN) (resid 61 and name HB2) 3.15 1.35 1.35 ! 0.0000 602:20 Intra 2.36, 2.65 A assign (resid 24 and name HN) (resid 24 and name HB2) 3.65 1.85 1.85 ! 0.8426 603:20 Ambig 2.63, 2.73 A or (resid 46 and name HN) (resid 50 and name HB) ! 0.1574 603:20 ----- 3.48, 3.66 A assign (resid 93 and name HN) (resid 93 and name HB1) 3.15 1.35 1.35 ! 0.9913 604:20 Intra 2.45, 3.02 A assign (resid 104 and name HN) (resid 104 and name HG11) 2.65 0.85 0.85 ! 0.9908 605:20 Intra 2.17, 2.32 A assign (resid 37 and name HN) (resid 37 and name HD*) 3.65 1.85 1.85 ! 0.0000 606:20 Intra 3.72, 4.46 A assign (resid 24 and name HN) (resid 24 and name HB1) 3.65 1.85 1.85 ! 0.0000 607:20 Intra 2.35, 2.52 A assign (resid 33 and name HN) (resid 32 and name HB) 3.65 1.85 1.85 ! 0.0000 608:20 Seq 3.68, 3.83 A assign (resid 90 and name HN) (resid 90 and name HB) 3.65 1.85 1.85 ! 0.0000 609:20 Intra 2.52, 2.59 A assign (resid 48 and name HN) (resid 48 and name HB2) 2.65 0.85 0.85 ! 0.9952 610:20 Intra 2.29, 2.42 A assign (resid 96 and name HN) (resid 96 and name HB2) 3.15 1.35 1.35 ! 0.9649 611:20 Intra 2.27, 2.43 A assign (resid 96 and name HN) (resid 96 and name HB1) 3.15 1.35 1.35 ! 0.8223 612:20 Ambig 3.50, 3.59 A or (resid 98 and name HN) (resid 96 and name HB1) ! 0.1093 612:20 ----- 4.90, 5.14 A or (resid 92 and name HD21) (resid 96 and name HB1) ! 0.0684 612:20 ----- 5.30, 6.37 A assign (resid 97 and name HN) (resid 96 and name HB1) 3.65 1.85 1.85 ! 0.0000 613:20 Seq 3.45, 3.71 A assign (resid 106 and name HN) (resid 106 and name HB2) 3.15 1.35 1.35 ! 0.0000 614:20 Intra 2.29, 2.46 A assign (resid 106 and name HN) (resid 106 and name HB1) 3.15 1.35 1.35 ! 0.0000 615:20 Intra 2.40, 3.21 A assign (resid 96 and name HN) (resid 95 and name HB*) 3.15 1.35 1.35 ! 0.9839 616:20 Seq 2.19, 3.50 A assign (resid 38 and name HN) (resid 37 and name HB*) 3.15 1.35 1.35 ! 0.9886 617:20 Seq 2.51, 4.05 A assign (resid 48 and name HN) (resid 48 and name HB1) 3.15 1.35 1.35 ! 0.0000 618:20 Intra 3.59, 3.64 A assign (resid 50 and name HN) (resid 50 and name HB) 3.15 1.35 1.35 ! 0.0000 619:20 Intra 2.50, 2.53 A assign (resid 2 and name HD*) (resid 24 and name HB2) 3.15 1.35 1.35 ! 0.0000 620:20 Long 3.64, 5.31 A assign (resid 2 and name HD*) (resid 24 and name HB1) 3.65 1.85 1.85 ! 0.0000 621:20 Long 2.05, 3.84 A assign (resid 23 and name HD*) (resid 1 and name HG2) 3.15 1.35 1.35 ! 0.6828 622:20 Ambig 2.59, 5.08 A or (resid 23 and name HE*) (resid 1 and name HG2) ! 0.3172 622:20 ----- 2.94, 5.48 A assign (resid 23 and name HE*) (resid 1 and name HG1) 3.15 1.35 1.35 ! 0.5150 623:20 Ambig 4.10, 6.62 A or (resid 23 and name HD*) (resid 1 and name HG1) ! 0.4850 623:20 ----- 4.14, 6.56 A assign (resid 69 and name HN) (resid 66 and name HB2) 3.15 1.35 1.35 ! 0.7641 625:20 Ambig 2.22, 2.93 A or (resid 68 and name HE*) (resid 66 and name HB2) ! 0.1236 625:20 ----- 3.01, 3.80 A or (resid 68 and name HD*) (resid 66 and name HB2) ! 0.1101 625:20 ----- 3.07, 3.90 A assign (resid 12 and name HA) (resid 12 and name HB1) 3.15 1.35 1.35 ! 0.0000 626:20 Intra 2.42, 2.49 A assign (resid 103 and name HA) (resid 103 and name HB1) 3.15 1.35 1.35 ! 0.0000 627:20 Intra 2.27, 2.29 A assign (resid 103 and name HA) (resid 103 and name HB2) 3.15 1.35 1.35 ! 0.0000 628:20 Intra 2.71, 2.88 A assign (resid 52 and name HA) (resid 52 and name HB) 3.65 1.85 1.85 ! 0.9933 629:20 Intra 2.42, 2.69 A assign (resid 12 and name HA) (resid 12 and name HD2) 3.65 1.85 1.85 ! 0.9752 630:20 Intra 2.17, 4.28 A assign (resid 12 and name HA) (resid 12 and name HD1) 3.15 1.35 1.35 ! 0.0000 631:20 Intra 3.66, 4.44 A assign (resid 57 and name HA) (resid 57 and name HB2) 2.65 0.85 0.85 ! 0.0000 632:20 Intra 2.41, 2.73 A assign (resid 57 and name HA) (resid 57 and name HB1) 3.15 1.35 1.35 ! 0.0000 633:20 Intra 2.40, 2.73 A assign (resid 60 and name HA) (resid 60 and name HB2) 2.65 0.85 0.85 ! 0.9755 634:20 Intra 2.66, 2.84 A assign (resid 48 and name HA) (resid 48 and name HB2) 2.65 0.85 0.85 ! 0.9047 635:20 Ambig 2.96, 2.98 A or (resid 74 and name HA) (resid 78 and name HB2) ! 0.0697 635:20 ----- 4.53, 5.35 A assign (resid 106 and name HA) (resid 106 and name HB2) 2.65 0.85 0.85 ! 0.9665 636:20 Intra 2.45, 2.82 A assign (resid 106 and name HA) (resid 106 and name HB1) 2.65 0.85 0.85 ! 0.9594 637:20 Intra 2.45, 2.71 A assign (resid 60 and name HA) (resid 60 and name HB1) 2.30 0.50 0.50 ! 0.4901 640:20 Ambig 2.27, 2.30 A or (resid 58 and name HA) (resid 58 and name HB*) ! 0.4812 640:20 ----- 2.27, 2.71 A assign (resid 95 and name HA) (resid 95 and name HB*) 2.30 0.50 0.50 ! 0.5567 641:20 Ambig 2.36, 2.68 A or (resid 92 and name HA) (resid 95 and name HB*) ! 0.3995 641:20 ----- 2.49, 3.59 A assign (resid 61 and name HA) (resid 61 and name HB1) 2.65 0.85 0.85 ! 0.0000 642:20 Intra 2.32, 2.74 A assign (resid 59 and name HA) (resid 59 and name HB2) 2.65 0.85 0.85 ! 0.0000 643:20 Intra 2.66, 2.83 A assign (resid 59 and name HA) (resid 59 and name HB1) 2.65 0.85 0.85 ! 0.9791 644:20 Intra 2.28, 2.30 A assign (resid 59 and name HD2) (resid 59 and name HB2) 3.15 1.35 1.35 ! 0.0000 645:20 Intra 2.87, 3.45 A assign (resid 59 and name HD2) (resid 59 and name HB1) 3.65 1.85 1.85 ! 0.0000 646:20 Intra 3.80, 3.88 A assign (resid 92 and name HA) (resid 95 and name HD2) 3.15 1.35 1.35 ! 0.8390 647:20 Ambig 2.76, 4.53 A or (resid 95 and name HA) (resid 95 and name HD2) ! 0.1610 647:20 ----- 3.64, 4.62 A assign (resid 95 and name HA) (resid 95 and name HD1) 3.65 1.85 1.85 ! 0.9867 648:20 Intra 2.04, 3.95 A assign (resid 61 and name HA) (resid 61 and name HB2) 2.65 0.85 0.85 ! 0.9868 649:20 Intra 2.45, 2.73 A assign (resid 24 and name HA) (resid 24 and name HB2) 2.65 0.85 0.85 ! 0.9670 650:20 Intra 2.44, 2.49 A assign (resid 46 and name HA) (resid 50 and name HB) 3.15 1.35 1.35 ! 0.9982 651:20 Mid 2.28, 2.67 A assign (resid 58 and name HA) (resid 58 and name HD*) 3.15 1.35 1.35 ! 0.0000 653:20 Intra 1.92, 4.19 A assign (resid 61 and name HA) (resid 61 and name HD*) 2.65 0.85 0.85 ! 0.6049 654:20 Ambig 1.98, 4.09 A or (resid 34 and name HA) (resid 37 and name HD*) ! 0.3805 654:20 ----- 2.13, 3.37 A assign (resid 24 and name HA) (resid 24 and name HB1) 3.15 1.35 1.35 ! 0.9195 655:20 Ambig 3.01, 3.03 A or (resid 23 and name HA) (resid 24 and name HB1) ! 0.0805 655:20 ----- 4.52, 4.72 A assign (resid 66 and name HA) (resid 66 and name HB2) 3.15 1.35 1.35 ! 0.0000 656:20 Intra 2.70, 2.90 A assign (resid 1 and name HA) (resid 1 and name HG1) 3.65 1.85 1.85 ! 0.0000 659:20 Intra 2.50, 2.59 A assign (resid 78 and name HA) (resid 78 and name HB1) 3.15 1.35 1.35 ! 0.0000 660:20 Intra 2.32, 2.87 A assign (resid 96 and name HA) (resid 96 and name HB2) 2.65 0.85 0.85 ! 0.0000 661:20 Intra 2.97, 3.00 A assign (resid 96 and name HA) (resid 96 and name HB1) 2.65 0.85 0.85 ! 0.0000 662:20 Intra 2.47, 2.51 A assign (resid 37 and name HA) (resid 37 and name HB*) 2.30 0.50 0.50 ! 0.4878 663:20 Ambig 2.37, 2.45 A or (resid 62 and name HA) (resid 62 and name HB) ! 0.3808 663:20 ----- 2.47, 2.66 A or (resid 99 and name HA) (resid 99 and name HB) ! 0.1107 663:20 ----- 3.03, 3.04 A assign (resid 88 and name HA) (resid 88 and name HB*) 2.30 0.50 0.50 ! 0.6047 664:20 Ambig 2.34, 2.71 A or (resid 70 and name HB*) (resid 62 and name HB) ! 0.2696 664:20 ----- 2.68, 5.75 A or (resid 94 and name HA) (resid 99 and name HB) ! 0.1056 664:20 ----- 3.13, 3.38 A assign (resid 96 and name HA) (resid 95 and name HB*) 3.15 1.35 1.35 ! 0.8496 665:20 Ambig 4.03, 5.08 A or (resid 99 and name HA) (resid 95 and name HB*) ! 0.0711 665:20 ----- 6.09, 7.27 A or (resid 67 and name HA) (resid 74 and name HG1) ! 0.0460 665:20 ----- 6.55, 7.16 A assign (resid 14 and name HA) (resid 14 and name HB2) 2.65 0.85 0.85 ! 0.0000 666:20 Intra 3.00, 3.02 A assign (resid 93 and name HA) (resid 93 and name HB2) 2.65 0.85 0.85 ! 0.9336 667:20 Ambig 2.43, 2.73 A or (resid 62 and name HA) (resid 93 and name HB2) ! 0.0664 667:20 ----- 3.77, 7.98 A assign (resid 60 and name HD2) (resid 59 and name HB2) 3.15 1.35 1.35 ! 0.7428 668:20 Ambig 2.49, 3.67 A or (resid 75 and name HA) (resid 75 and name HB) ! 0.2296 668:20 ----- 3.03, 3.04 A assign (resid 60 and name HD2) (resid 59 and name HB1) 3.15 1.35 1.35 ! 0.9646 669:20 Seq 2.46, 3.60 A assign (resid 59 and name HD1) (resid 59 and name HB2) 3.15 1.35 1.35 ! 0.0000 670:20 Intra 3.81, 3.93 A assign (resid 59 and name HD1) (resid 59 and name HB1) 3.65 1.85 1.85 ! 0.0000 671:20 Intra 2.84, 3.59 A assign (resid 14 and name HA) (resid 14 and name HB1) 2.65 0.85 0.85 ! 0.0000 672:20 Intra 2.40, 2.46 A assign (resid 93 and name HA) (resid 93 and name HB1) 3.15 1.35 1.35 ! 0.7668 673:20 Ambig 2.48, 2.83 A or (resid 62 and name HA) (resid 93 and name HB1) ! 0.2316 673:20 ----- 3.03, 7.88 A assign (resid 33 and name HB*) (resid 37 and name HD*) 3.15 1.35 1.35 ! 0.5868 674:20 Ambig 3.70, 6.29 A or (resid 37 and name HA) (resid 37 and name HD*) ! 0.4132 674:20 ----- 3.92, 4.98 A assign (resid 14 and name HA) (resid 14 and name HD*) 3.15 1.35 1.35 ! 0.0000 675:20 Intra 3.10, 4.56 A assign (resid 18 and name HA2) (resid 21 and name HD2) 4.15 2.35 2.35 ! 0.0000 676:20 Ambig 2.58, 5.05 A or (resid 18 and name HA2) (resid 21 and name HD1) ! 0.0000 676:20 ----- 0.00, 0.00 A assign (resid 104 and name HA) (resid 104 and name HG11) 3.65 1.85 1.85 ! 0.9825 677:20 Intra 2.76, 2.87 A assign (resid 104 and name HA) (resid 104 and name HG12) 3.65 1.85 1.85 ! 0.0000 678:20 Intra 2.22, 2.35 A assign (resid 48 and name HD2) (resid 48 and name HB2) 3.15 1.35 1.35 ! 0.7810 680:20 Ambig 2.32, 2.44 A or (resid 48 and name HD1) (resid 48 and name HB2) ! 0.2106 680:20 ----- 2.89, 3.08 A assign (resid 95 and name HE*) (resid 95 and name HB*) 2.65 0.85 0.85 ! 0.9911 681:20 Intra 1.91, 3.13 A assign (resid 37 and name HE*) (resid 37 and name HB*) 3.15 1.35 1.35 ! 0.5522 682:20 Ambig 1.97, 3.49 A or (resid 88 and name HE*) (resid 88 and name HB*) ! 0.4453 682:20 ----- 2.04, 4.39 A assign (resid 58 and name HE*) (resid 58 and name HB*) 3.15 1.35 1.35 ! 0.0000 683:20 Intra 1.85, 4.04 A assign (resid 95 and name HE*) (resid 95 and name HD2) 2.65 0.85 0.85 ! 0.0000 684:20 Intra 2.36, 2.70 A assign (resid 95 and name HE*) (resid 95 and name HD1) 2.65 0.85 0.85 ! 0.0000 685:20 Intra 2.39, 2.69 A assign (resid 37 and name HE*) (resid 37 and name HD*) 2.30 0.50 0.50 ! 0.0000 686:20 Intra 2.34, 2.66 A assign (resid 12 and name HE*) (resid 12 and name HD1) 2.65 0.85 0.85 ! 0.0000 687:20 Intra 2.32, 2.64 A assign (resid 1 and name HB*) (resid 1 and name HG2) 2.65 0.85 0.85 ! 0.5937 690:20 Ambig 2.40, 2.73 A or (resid 1 and name HE*) (resid 1 and name HG2) ! 0.4031 690:20 ----- 2.56, 3.27 A assign (resid 1 and name HB*) (resid 1 and name HG1) 2.30 0.50 0.50 ! 0.5864 691:20 Ambig 2.40, 2.73 A or (resid 1 and name HE*) (resid 1 and name HG1) ! 0.4129 691:20 ----- 2.55, 3.21 A assign (resid 103 and name HG1) (resid 103 and name HB2) 2.65 0.85 0.85 ! 0.7256 693:20 Ambig 2.65, 2.89 A or (resid 105 and name HB2) (resid 103 and name HB2) ! 0.2362 693:20 ----- 3.20, 3.71 A assign (resid 87 and name HB1) (resid 90 and name HB) 3.15 1.35 1.35 ! 0.9930 694:20 Mid 2.19, 2.49 A assign (resid 96 and name HG1) (resid 96 and name HB2) 2.65 0.85 0.85 ! 0.0000 699:20 Intra 2.31, 2.37 A assign (resid 96 and name HG1) (resid 96 and name HB1) 2.65 0.85 0.85 ! 0.0000 700:20 Intra 2.45, 2.98 A assign (resid 113 and name HG*) (resid 113 and name HB2) 2.30 0.50 0.50 ! 0.0000 703:20 Intra 2.29, 2.64 A assign (resid 113 and name HG*) (resid 113 and name HB1) 2.30 0.50 0.50 ! 0.6862 704:20 Ambig 2.31, 2.62 A or (resid 59 and name HG2) (resid 59 and name HB1) ! 0.3138 704:20 ----- 2.63, 2.83 A assign (resid 86 and name HG1) (resid 86 and name HB2) 2.30 0.50 0.50 ! 0.9693 709:20 Intra 2.25, 2.35 A assign (resid 12 and name HB1) (resid 12 and name HD2) 3.15 1.35 1.35 ! 0.0000 712:20 Intra 2.58, 3.34 A assign (resid 12 and name HB1) (resid 12 and name HD1) 2.65 0.85 0.85 ! 0.4853 713:20 Ambig 2.39, 3.07 A or (resid 86 and name HG1) (resid 12 and name HD1) ! 0.3586 713:20 ----- 2.51, 4.41 A or (resid 86 and name HG1) (resid 104 and name HG11) ! 0.1465 713:20 ----- 2.92, 3.63 A assign (resid 69 and name HG2) (resid 66 and name HB2) 2.65 0.85 0.85 ! 0.8303 714:20 Ambig 2.02, 3.65 A or (resid 66 and name HG1) (resid 66 and name HB2) ! 0.1570 714:20 ----- 2.67, 2.93 A assign (resid 12 and name HG2) (resid 12 and name HB1) 3.15 1.35 1.35 ! 0.0000 716:20 Intra 2.36, 2.55 A assign (resid 74 and name HE*) (resid 74 and name HG2) 2.65 0.85 0.85 ! 0.7286 718:20 Ambig 2.48, 3.28 A or (resid 73 and name HB) (resid 74 and name HG2) ! 0.2574 718:20 ----- 2.95, 3.40 A assign (resid 85 and name HB*) (resid 90 and name HB) 3.15 1.35 1.35 ! 0.9893 719:20 Long 2.43, 3.39 A assign (resid 97 and name HG) (resid 96 and name HB1) 3.15 1.35 1.35 ! 0.9043 720:20 Ambig 4.05, 4.38 A or (resid 97 and name HB1) (resid 96 and name HB1) ! 0.0957 720:20 ----- 5.89, 6.26 A assign (resid 102 and name HG12) (resid 106 and name HB2) 3.65 1.85 1.85 ! 0.6013 721:20 Ambig 3.68, 4.65 A or (resid 107 and name HB2) (resid 106 and name HB2) ! 0.2511 721:20 ----- 4.25, 4.93 A or (resid 109 and name HB*) (resid 106 and name HB2) ! 0.1475 721:20 ----- 4.65, 6.05 A assign (resid 37 and name HG2) (resid 37 and name HB*) 2.30 0.50 0.50 ! 0.3468 722:20 Ambig 2.29, 2.68 A or (resid 88 and name HG1) (resid 88 and name HB*) ! 0.3446 722:20 ----- 2.29, 2.69 A or (resid 88 and name HG2) (resid 88 and name HB*) ! 0.3086 722:20 ----- 2.33, 2.61 A assign (resid 58 and name HG*) (resid 58 and name HB*) 2.30 0.50 0.50 ! 0.0000 723:20 Intra 2.32, 2.67 A assign (resid 74 and name HB1) (resid 74 and name HG1) 2.65 0.85 0.85 ! 0.6838 724:20 Ambig 2.44, 2.54 A or (resid 101 and name HB*) (resid 95 and name HB*) ! 0.3162 724:20 ----- 2.77, 5.03 A assign (resid 14 and name HG2) (resid 14 and name HB2) 2.65 0.85 0.85 ! 0.0000 725:20 Intra 2.61, 2.99 A assign (resid 28 and name HG2*) (resid 71 and name HB*) 3.65 1.85 1.85 ! 0.8929 726:20 Ambig 2.63, 4.91 A or (resid 75 and name HG2*) (resid 71 and name HB*) ! 0.1071 726:20 ----- 3.74, 5.93 A assign (resid 93 and name HG1) (resid 93 and name HB2) 2.65 0.85 0.85 ! 0.9981 727:20 Intra 2.26, 2.45 A assign (resid 93 and name HG1) (resid 93 and name HB1) 2.65 0.85 0.85 ! 0.5011 731:20 Ambig 2.40, 2.52 A or (resid 101 and name HB*) (resid 91 and name HG12) ! 0.4977 731:20 ----- 2.40, 3.80 A assign (resid 88 and name HG1) (resid 88 and name HD*) 2.30 0.50 0.50 ! 0.0000 733:20 Intra 2.31, 2.68 A assign (resid 14 and name HG2) (resid 14 and name HD*) 2.30 0.50 0.50 ! 0.3565 734:20 Ambig 2.36, 2.63 A or (resid 61 and name HG2) (resid 61 and name HD*) ! 0.3452 734:20 ----- 2.37, 2.69 A or (resid 12 and name HG2) (resid 12 and name HD2) ! 0.2958 734:20 ----- 2.43, 2.61 A assign (resid 104 and name HB) (resid 104 and name HG12) 2.65 0.85 0.85 ! 0.8422 736:20 Ambig 3.01, 3.02 A or (resid 107 and name HG) (resid 104 and name HG12) ! 0.1248 736:20 ----- 4.13, 4.73 A assign (resid 74 and name HE*) (resid 74 and name HB2) 3.15 1.35 1.35 ! 0.0000 737:20 Intra 4.17, 4.78 A assign (resid 16 and name HB) (resid 16 and name HG11) 2.65 0.85 0.85 ! 0.6942 741:20 Ambig 2.38, 2.45 A or (resid 17 and name HB2) (resid 16 and name HG11) ! 0.2302 741:20 ----- 2.86, 3.17 A or (resid 13 and name HG) (resid 16 and name HG11) ! 0.0396 741:20 ----- 3.84, 5.31 A assign (resid 32 and name HG1*) (resid 32 and name HB) 2.30 0.50 0.50 ! 0.5246 742:20 Ambig 2.38, 2.62 A or (resid 32 and name HG2*) (resid 32 and name HB) ! 0.4739 742:20 ----- 2.42, 2.64 A assign (resid 82 and name HD2*) (resid 1 and name HG2) 3.65 1.85 1.85 ! 0.6134 743:20 Ambig 4.60, 5.84 A or (resid 82 and name HD1*) (resid 1 and name HG2) ! 0.3866 743:20 ----- 4.97, 6.78 A assign (resid 82 and name HD2*) (resid 1 and name HG1) 3.65 1.85 1.85 ! 0.0000 744:20 Long 5.42, 6.70 A assign (resid 104 and name HG2*) (resid 12 and name HB1) 3.65 1.85 1.85 ! 0.5475 745:20 Ambig 2.14, 3.50 A or (resid 104 and name HD1*) (resid 12 and name HB1) ! 0.4525 745:20 ----- 2.21, 3.46 A assign (resid 74 and name HB2) (resid 74 and name HG2) 3.15 1.35 1.35 ! 0.9907 746:20 Intra 2.46, 2.54 A assign (resid 91 and name HD1*) (resid 103 and name HB1) 3.15 1.35 1.35 ! 0.8923 747:20 Ambig 2.42, 3.78 A or (resid 62 and name HG2*) (resid 74 and name HG2) ! 0.0565 747:20 ----- 3.83, 7.33 A or (resid 97 and name HD1*) (resid 74 and name HG2) ! 0.0166 747:20 ----- 4.70, 5.43 A assign (resid 91 and name HD1*) (resid 103 and name HB2) 3.15 1.35 1.35 ! 0.0000 748:20 Long 4.07, 5.07 A assign (resid 90 and name HG2*) (resid 90 and name HB) 2.65 0.85 0.85 ! 0.9978 749:20 Intra 2.42, 2.63 A assign (resid 90 and name HG1*) (resid 90 and name HB) 2.30 0.50 0.50 ! 0.9673 750:20 Intra 2.42, 2.64 A assign (resid 30 and name HD1*) (resid 71 and name HB*) 3.15 1.35 1.35 ! 0.0000 751:20 Long 2.04, 3.55 A assign (resid 17 and name HD2*) (resid 48 and name HB2) 3.65 1.85 1.85 ! 0.0000 752:20 Long 1.86, 2.86 A assign (resid 102 and name HD1*) (resid 106 and name HB2) 3.15 1.35 1.35 ! 0.9931 753:20 Mid 2.34, 4.58 A assign (resid 102 and name HD1*) (resid 106 and name HB1) 3.15 1.35 1.35 ! 0.0000 754:20 Mid 2.79, 4.45 A assign (resid 97 and name HD2*) (resid 96 and name HB2) 3.15 1.35 1.35 ! 0.8693 755:20 Ambig 3.55, 4.67 A or (resid 97 and name HD1*) (resid 96 and name HB2) ! 0.1037 755:20 ----- 5.06, 5.72 A assign (resid 32 and name HG1*) (resid 52 and name HB) 3.65 1.85 1.85 ! 0.9830 756:20 Long 2.59, 4.34 A assign (resid 99 and name HG2*) (resid 99 and name HB) 2.30 0.50 0.50 ! 0.5077 757:20 Ambig 2.41, 2.63 A or (resid 99 and name HG1*) (resid 99 and name HB) ! 0.4923 757:20 ----- 2.42, 2.63 A assign (resid 75 and name HG2*) (resid 75 and name HB) 2.30 0.50 0.50 ! 0.6359 759:20 Ambig 2.41, 2.64 A or (resid 28 and name HG2*) (resid 75 and name HB) ! 0.3641 759:20 ----- 2.64, 3.26 A assign (resid 75 and name HG1*) (resid 75 and name HB) 2.30 0.50 0.50 ! 0.5051 760:20 Ambig 2.44, 2.65 A or (resid 4 and name HG1*) (resid 75 and name HB) ! 0.4768 760:20 ----- 2.47, 3.54 A assign (resid 73 and name HD1*) (resid 93 and name HB2) 2.30 0.50 0.50 ! 0.4435 761:20 Ambig 2.16, 4.13 A or (resid 65 and name HD1*) (resid 93 and name HB2) ! 0.4388 761:20 ----- 2.16, 3.41 A or (resid 62 and name HG1*) (resid 93 and name HB2) ! 0.0747 761:20 ----- 2.90, 6.25 A assign (resid 36 and name HD1*) (resid 36 and name HG12) 2.30 0.50 0.50 ! 0.9312 763:20 Ambig 2.40, 2.62 A or (resid 91 and name HG2*) (resid 95 and name HD1) ! 0.0380 763:20 ----- 4.10, 5.71 A assign (resid 16 and name HD1*) (resid 16 and name HG12) 2.30 0.50 0.50 ! 0.8649 764:20 Ambig 2.39, 2.62 A or (resid 91 and name HG2*) (resid 95 and name HD2) ! 0.0701 764:20 ----- 3.63, 5.40 A or (resid 84 and name HG2*) (resid 16 and name HG12) ! 0.0254 764:20 ----- 4.30, 5.60 A assign (resid 104 and name HD1*) (resid 86 and name HB2) 3.65 1.85 1.85 ! 0.8483 765:20 Ambig 4.41, 5.32 A or (resid 90 and name HG2*) (resid 86 and name HB2) ! 0.0988 765:20 ----- 6.31, 7.61 A or (resid 104 and name HG2*) (resid 86 and name HB2) ! 0.0529 765:20 ----- 7.01, 7.94 A assign (resid 50 and name HG2*) (resid 50 and name HB) 2.30 0.50 0.50 ! 0.9962 767:20 Intra 2.35, 2.63 A assign (resid 50 and name HG1*) (resid 50 and name HB) 2.30 0.50 0.50 ! 0.9888 768:20 Intra 2.42, 2.64 A assign (resid 73 and name HD1*) (resid 93 and name HB1) 2.30 0.50 0.50 ! 0.4247 769:20 Ambig 2.13, 3.47 A or (resid 65 and name HD1*) (resid 93 and name HB1) ! 0.2112 769:20 ----- 2.40, 3.82 A or (resid 91 and name HD1*) (resid 91 and name HG12) ! 0.2067 769:20 ----- 2.41, 2.62 A or (resid 62 and name HG1*) (resid 93 and name HB1) ! 0.0932 769:20 ----- 2.75, 6.13 A or (resid 97 and name HD1*) (resid 93 and name HB1) ! 0.0192 769:20 ----- 3.57, 5.32 A assign (resid 104 and name HG2*) (resid 12 and name HD2) 3.65 1.85 1.85 ! 0.5253 770:20 Ambig 1.98, 5.01 A or (resid 104 and name HD1*) (resid 12 and name HD2) ! 0.4741 770:20 ----- 2.02, 4.48 A assign (resid 84 and name HG2*) (resid 104 and name HG12) 2.65 0.85 0.85 ! 0.6804 772:20 Ambig 2.33, 2.68 A or (resid 16 and name HD1*) (resid 104 and name HG12) ! 0.2871 772:20 ----- 2.69, 4.03 A assign (resid 91 and name HD1*) (resid 91 and name HG11) 2.65 0.85 0.85 ! 0.9844 774:20 Intra 2.41, 2.62 A assign (resid 105 and name HN) (resid 105 and name HB2) 3.15 1.35 1.35 ! 0.0000 777:20 Intra 2.26, 2.45 A assign (resid 15 and name HN) (resid 15 and name HB1) 3.15 1.35 1.35 ! 0.0000 778:20 Intra 3.55, 3.59 A assign (resid 88 and name HN) (resid 88 and name HG2) 3.65 1.85 1.85 ! 0.0000 779:20 Intra 1.84, 3.74 A assign (resid 88 and name HN) (resid 88 and name HG1) 3.65 1.85 1.85 ! 0.0000 780:20 Intra 1.97, 3.59 A assign (resid 81 and name HN) (resid 79 and name HD1*) 3.65 1.85 1.85 ! 0.7780 782:20 Ambig 4.67, 6.04 A or (resid 78 and name HN) (resid 79 and name HD1*) ! 0.2220 782:20 ----- 5.76, 6.67 A assign (resid 46 and name HN) (resid 46 and name HG) 2.65 0.85 0.85 ! 0.0000 783:20 Intra 2.05, 2.14 A assign (resid 51 and name HN) (resid 51 and name HG12) 3.15 1.35 1.35 ! 0.9941 785:20 Intra 1.98, 2.07 A assign (resid 54 and name HN) (resid 53 and name HG*) 2.65 0.85 0.85 ! 0.8903 786:20 Ambig 2.44, 3.59 A or (resid 94 and name HN) (resid 93 and name HD2) ! 0.0843 786:20 ----- 3.62, 4.73 A assign (resid 53 and name HN) (resid 53 and name HG*) 3.65 1.85 1.85 ! 0.0000 787:20 Intra 4.35, 4.69 A assign (resid 111 and name HN) (resid 112 and name HG) 3.15 1.35 1.35 ! 0.5310 788:20 Ambig 3.35, 4.91 A or (resid 94 and name HN) (resid 93 and name HD1) ! 0.2258 788:20 ----- 3.86, 5.20 A or (resid 93 and name HN) (resid 93 and name HD1) ! 0.1177 788:20 ----- 4.30, 4.83 A or (resid 94 and name HN) (resid 97 and name HG) ! 0.0736 788:20 ----- 4.65, 4.94 A or (resid 95 and name HN) (resid 93 and name HD1) ! 0.0352 788:20 ----- 5.26, 6.72 A assign (resid 112 and name HN) (resid 112 and name HG) 2.65 0.85 0.85 ! 0.9880 789:20 Intra 2.02, 2.86 A assign (resid 95 and name HN) (resid 95 and name HG*) 3.15 1.35 1.35 ! 0.9833 790:20 Intra 2.12, 4.04 A assign (resid 37 and name HN) (resid 37 and name HG1) 3.65 1.85 1.85 ! 0.9973 791:20 Intra 2.11, 3.11 A assign (resid 37 and name HN) (resid 37 and name HG2) 3.65 1.85 1.85 ! 0.0000 792:20 Intra 2.07, 2.45 A assign (resid 36 and name HN) (resid 36 and name HG11) 3.65 1.85 1.85 ! 0.9718 793:20 Intra 3.61, 3.68 A assign (resid 40 and name HN) (resid 40 and name HG12) 3.15 1.35 1.35 ! 0.9877 794:20 Intra 3.50, 3.70 A assign (resid 40 and name HN) (resid 40 and name HG11) 3.15 1.35 1.35 ! 0.0000 795:20 Intra 2.23, 2.49 A assign (resid 51 and name HN) (resid 51 and name HG11) 3.65 1.85 1.85 ! 0.9961 796:20 Intra 2.83, 2.93 A assign (resid 108 and name HN) (resid 108 and name HD1*) 3.15 1.35 1.35 ! 0.0000 798:20 Intra 3.78, 4.48 A assign (resid 46 and name HN) (resid 46 and name HD1*) 3.15 1.35 1.35 ! 0.0000 799:20 Intra 3.75, 4.34 A assign (resid 94 and name HN) (resid 83 and name HD2*) 3.15 1.35 1.35 ! 0.6039 800:20 Ambig 4.22, 5.02 A or (resid 83 and name HN) (resid 83 and name HD2*) ! 0.2259 800:20 ----- 4.97, 5.47 A or (resid 95 and name HN) (resid 83 and name HD2*) ! 0.1702 800:20 ----- 5.21, 6.09 A assign (resid 65 and name HN) (resid 65 and name HD1*) 3.65 1.85 1.85 ! 0.0000 801:20 Intra 4.01, 4.72 A assign (resid 17 and name HN) (resid 17 and name HD2*) 3.15 1.35 1.35 ! 0.9326 802:20 Ambig 3.57, 5.03 A or (resid 47 and name HN) (resid 17 and name HD2*) ! 0.0674 802:20 ----- 5.53, 6.42 A assign (resid 79 and name HN) (resid 79 and name HD1*) 3.15 1.35 1.35 ! 0.8207 803:20 Ambig 3.85, 4.55 A or (resid 76 and name HN) (resid 79 and name HD1*) ! 0.1793 803:20 ----- 4.96, 6.15 A assign (resid 106 and name HN) (resid 105 and name HB2) 3.65 1.85 1.85 ! 0.0000 804:20 Seq 2.71, 3.15 A assign (resid 106 and name HN) (resid 103 and name HG1) 3.65 1.85 1.85 ! 0.9637 805:20 Mid 4.18, 5.09 A assign (resid 48 and name HN) (resid 48 and name HG1) 3.15 1.35 1.35 ! 0.0000 806:20 Intra 2.31, 2.59 A assign (resid 48 and name HN) (resid 48 and name HG2) 3.15 1.35 1.35 ! 0.0000 807:20 Intra 3.51, 3.74 A assign (resid 2 and name HD*) (resid 24 and name HD2) 3.65 1.85 1.85 ! 0.0000 808:20 Long 4.35, 6.75 A assign (resid 2 and name HD*) (resid 24 and name HD1) 3.65 1.85 1.85 ! 0.0000 809:20 Long 2.93, 6.67 A assign (resid 92 and name HD21) (resid 93 and name HD1) 3.15 1.35 1.35 ! 0.6703 810:20 Ambig 3.15, 5.24 A or (resid 96 and name HN) (resid 97 and name HG) ! 0.1377 810:20 ----- 4.10, 4.26 A or (resid 96 and name HN) (resid 93 and name HD1) ! 0.0956 810:20 ----- 4.36, 6.07 A or (resid 98 and name HN) (resid 97 and name HG) ! 0.0900 810:20 ----- 4.40, 4.62 A assign (resid 82 and name HN) (resid 82 and name HG) 3.15 1.35 1.35 ! 0.9433 811:20 Ambig 2.65, 4.26 A or (resid 100 and name HD21) (resid 82 and name HG) ! 0.0567 811:20 ----- 4.23, 4.72 A assign (resid 97 and name HN) (resid 97 and name HG) 2.65 0.85 0.85 ! 0.9777 812:20 Intra 2.28, 2.43 A assign (resid 13 and name HN) (resid 13 and name HG) 3.15 1.35 1.35 ! 0.9942 813:20 Intra 2.02, 3.29 A assign (resid 12 and name HN) (resid 12 and name HG1) 3.15 1.35 1.35 ! 0.5212 814:20 Ambig 2.37, 2.94 A or (resid 38 and name HN) (resid 37 and name HG1) ! 0.4788 814:20 ----- 2.41, 2.88 A assign (resid 20 and name HD21) (resid 107 and name HD1*) 3.65 1.85 1.85 ! 0.9960 815:20 Long 1.85, 3.23 A assign (resid 106 and name HN) (resid 107 and name HD1*) 4.15 2.35 2.35 ! 0.0000 816:20 Seq 6.65, 7.33 A assign (resid 100 and name HD21) (resid 82 and name HD1*) 3.15 1.35 1.35 ! 0.7844 818:20 Ambig 2.92, 4.95 A or (resid 77 and name HE*) (resid 97 and name HD1*) ! 0.1220 818:20 ----- 3.98, 6.27 A or (resid 82 and name HN) (resid 82 and name HD1*) ! 0.0790 818:20 ----- 4.27, 5.11 A assign (resid 97 and name HN) (resid 97 and name HD1*) 3.15 1.35 1.35 ! 0.0000 819:20 Intra 3.93, 4.58 A assign (resid 77 and name HD*) (resid 97 and name HD1*) 3.15 1.35 1.35 ! 0.0000 820:20 Long 2.98, 5.47 A assign (resid 2 and name HD*) (resid 79 and name HD1*) 3.15 1.35 1.35 ! 0.0000 821:20 Long 2.74, 4.42 A assign (resid 68 and name HE*) (resid 66 and name HG1) 3.65 1.85 1.85 ! 0.8253 822:20 Ambig 3.02, 4.73 A or (resid 69 and name HN) (resid 66 and name HG1) ! 0.0897 822:20 ----- 4.37, 5.34 A or (resid 68 and name HD*) (resid 66 and name HG1) ! 0.0782 822:20 ----- 4.47, 6.01 A assign (resid 68 and name HE*) (resid 66 and name HG2) 3.15 1.35 1.35 ! 0.4208 823:20 Ambig 2.72, 3.91 A or (resid 69 and name HN) (resid 66 and name HG2) ! 0.4081 823:20 ----- 2.74, 4.13 A or (resid 68 and name HD*) (resid 66 and name HG2) ! 0.1712 823:20 ----- 3.16, 4.98 A assign (resid 23 and name HE*) (resid 82 and name HD1*) 3.15 1.35 1.35 ! 0.7808 825:20 Ambig 2.73, 5.81 A or (resid 23 and name HD*) (resid 82 and name HD1*) ! 0.2192 825:20 ----- 3.38, 6.35 A assign (resid 103 and name HA) (resid 103 and name HG2) 3.65 1.85 1.85 ! 0.0000 826:20 Intra 3.84, 3.96 A assign (resid 12 and name HA) (resid 12 and name HG1) 3.15 1.35 1.35 ! 0.0000 827:20 Intra 2.84, 3.23 A assign (resid 12 and name HA) (resid 12 and name HG2) 3.15 1.35 1.35 ! 0.0000 828:20 Intra 2.53, 2.67 A assign (resid 3 and name HA) (resid 82 and name HD1*) 3.65 1.85 1.85 ! 0.0000 829:20 Long 3.73, 4.86 A assign (resid 59 and name HA) (resid 59 and name HG2) 3.15 1.35 1.35 ! 0.0000 830:20 Intra 3.82, 3.97 A assign (resid 59 and name HD2) (resid 59 and name HG2) 2.65 0.85 0.85 ! 0.9602 831:20 Intra 2.26, 2.31 A assign (resid 59 and name HA) (resid 59 and name HG1) 3.15 1.35 1.35 ! 0.0000 832:20 Intra 2.94, 3.59 A assign (resid 59 and name HD2) (resid 59 and name HG1) 2.65 0.85 0.85 ! 0.9925 833:20 Intra 2.63, 2.88 A assign (resid 5 and name HA) (resid 5 and name HG12) 2.65 0.85 0.85 ! 0.6575 834:20 Ambig 2.58, 2.80 A or (resid 66 and name HA) (resid 66 and name HG1) ! 0.2778 834:20 ----- 2.98, 3.31 A or (resid 65 and name HA) (resid 66 and name HG1) ! 0.0647 834:20 ----- 3.80, 4.12 A assign (resid 48 and name HA) (resid 48 and name HG1) 2.65 0.85 0.85 ! 0.9634 835:20 Intra 2.72, 2.96 A assign (resid 48 and name HA) (resid 48 and name HG2) 2.65 0.85 0.85 ! 0.9925 836:20 Intra 2.38, 2.47 A assign (resid 60 and name HA) (resid 60 and name HG1) 3.15 1.35 1.35 ! 0.8426 837:20 Ambig 2.92, 3.51 A or (resid 59 and name HA) (resid 60 and name HG1) ! 0.1476 837:20 ----- 3.91, 4.25 A assign (resid 43 and name HA) (resid 46 and name HG) 2.65 0.85 0.85 ! 0.6282 838:20 Ambig 2.79, 3.50 A or (resid 46 and name HA) (resid 46 and name HG) ! 0.3718 838:20 ----- 3.04, 3.13 A assign (resid 24 and name HA) (resid 24 and name HD2) 3.65 1.85 1.85 ! 0.9965 840:20 Intra 1.99, 2.83 A assign (resid 24 and name HA) (resid 24 and name HD1) 3.15 1.35 1.35 ! 0.9971 841:20 Intra 2.15, 3.43 A assign (resid 66 and name HA) (resid 66 and name HG2) 3.15 1.35 1.35 ! 0.6085 844:20 Ambig 3.86, 3.99 A or (resid 65 and name HA) (resid 66 and name HG2) ! 0.3114 844:20 ----- 4.31, 4.49 A or (resid 68 and name HA) (resid 66 and name HG2) ! 0.0543 844:20 ----- 5.77, 7.01 A assign (resid 53 and name HA) (resid 53 and name HG*) 2.65 0.85 0.85 ! 0.9506 845:20 Intra 2.47, 3.33 A assign (resid 10 and name HA) (resid 13 and name HG) 2.65 0.85 0.85 ! 0.6497 846:20 Ambig 2.18, 3.63 A or (resid 112 and name HA) (resid 112 and name HG) ! 0.3467 846:20 ----- 2.42, 3.25 A assign (resid 97 and name HA) (resid 97 and name HG) 2.65 0.85 0.85 ! 0.0000 847:20 Intra 3.12, 3.17 A assign (resid 92 and name HA) (resid 95 and name HG*) 2.65 0.85 0.85 ! 0.7204 848:20 Ambig 2.03, 4.42 A or (resid 95 and name HA) (resid 95 and name HG*) ! 0.2744 848:20 ----- 2.39, 3.24 A assign (resid 108 and name HA) (resid 107 and name HD1*) 3.15 1.35 1.35 ! 0.6224 850:20 Ambig 2.89, 3.93 A or (resid 107 and name HA) (resid 107 and name HD1*) ! 0.3319 850:20 ----- 3.21, 4.07 A assign (resid 43 and name HA) (resid 46 and name HD1*) 2.30 0.50 0.50 ! 0.9807 853:20 Mid 2.29, 3.67 A assign (resid 65 and name HA) (resid 65 and name HD1*) 3.65 1.85 1.85 ! 0.0000 854:20 Intra 4.29, 4.65 A assign (resid 46 and name HA) (resid 17 and name HD2*) 3.65 1.85 1.85 ! 0.5664 855:20 Ambig 5.23, 6.47 A or (resid 18 and name HA1) (resid 17 and name HD2*) ! 0.4336 855:20 ----- 5.46, 6.56 A assign (resid 79 and name HA) (resid 79 and name HD1*) 3.15 1.35 1.35 ! 0.0000 857:20 Intra 4.39, 4.69 A assign (resid 15 and name HA) (resid 15 and name HB2) 3.15 1.35 1.35 ! 0.9915 858:20 Intra 3.00, 3.01 A assign (resid 103 and name HD1) (resid 103 and name HG2) 2.65 0.85 0.85 ! 0.5189 859:20 Ambig 2.62, 2.75 A or (resid 59 and name HD1) (resid 59 and name HG2) ! 0.4811 859:20 ----- 2.65, 2.80 A assign (resid 103 and name HD2) (resid 103 and name HG2) 2.65 0.85 0.85 ! 0.0000 860:20 Intra 2.27, 2.29 A assign (resid 105 and name HA) (resid 105 and name HB2) 2.65 0.85 0.85 ! 0.9956 861:20 Intra 2.51, 2.95 A assign (resid 15 and name HA) (resid 15 and name HB1) 2.65 0.85 0.85 ! 0.7769 862:20 Ambig 2.44, 2.48 A or (resid 36 and name HA) (resid 36 and name HG12) ! 0.2224 862:20 ----- 3.00, 3.08 A assign (resid 59 and name HD1) (resid 59 and name HG1) 2.65 0.85 0.85 ! 0.0000 863:20 Intra 2.25, 2.29 A assign (resid 66 and name HD2) (resid 66 and name HG1) 2.65 0.85 0.85 ! 0.4931 864:20 Ambig 2.69, 2.94 A or (resid 103 and name HD2) (resid 103 and name HG1) ! 0.4838 864:20 ----- 2.70, 2.90 A assign (resid 60 and name HD1) (resid 60 and name HG1) 3.15 1.35 1.35 ! 0.0000 865:20 Intra 2.24, 2.29 A assign (resid 88 and name HA) (resid 88 and name HD*) 3.15 1.35 1.35 ! 0.9789 866:20 Intra 2.04, 3.84 A assign (resid 66 and name HD2) (resid 66 and name HG2) 3.15 1.35 1.35 ! 0.9956 867:20 Intra 2.23, 2.30 A assign (resid 93 and name HA) (resid 93 and name HD1) 2.65 0.85 0.85 ! 0.9132 868:20 Ambig 2.36, 3.37 A or (resid 93 and name HA) (resid 97 and name HG) ! 0.0613 868:20 ----- 3.70, 4.30 A assign (resid 93 and name HA) (resid 93 and name HD2) 3.15 1.35 1.35 ! 0.9759 869:20 Intra 1.94, 3.19 A assign (resid 60 and name HD2) (resid 60 and name HG2) 2.65 0.85 0.85 ! 0.9873 870:20 Intra 2.26, 2.30 A assign (resid 13 and name HA) (resid 13 and name HG) 3.15 1.35 1.35 ! 0.8853 871:20 Ambig 2.48, 3.06 A or (resid 14 and name HA) (resid 13 and name HG) ! 0.0937 871:20 ----- 3.61, 5.47 A assign (resid 60 and name HD1) (resid 60 and name HG2) 3.15 1.35 1.35 ! 0.9312 872:20 Ambig 2.64, 2.80 A or (resid 90 and name HA) (resid 65 and name HG) ! 0.0688 872:20 ----- 4.08, 4.61 A assign (resid 88 and name HA) (resid 88 and name HG2) 3.15 1.35 1.35 ! 0.0000 873:20 Intra 2.49, 3.27 A assign (resid 88 and name HA) (resid 88 and name HG1) 3.15 1.35 1.35 ! 0.0000 874:20 Intra 2.40, 3.03 A assign (resid 36 and name HA) (resid 36 and name HG11) 3.15 1.35 1.35 ! 0.6772 875:20 Ambig 3.73, 3.76 A or (resid 75 and name HA) (resid 74 and name HB1) ! 0.3228 875:20 ----- 4.22, 4.35 A assign (resid 40 and name HA) (resid 40 and name HG12) 3.15 1.35 1.35 ! 0.0000 876:20 Intra 2.51, 2.58 A assign (resid 40 and name HA) (resid 40 and name HG11) 3.15 1.35 1.35 ! 0.9739 877:20 Intra 2.94, 3.04 A assign (resid 105 and name HA) (resid 108 and name HD1*) 2.65 0.85 0.85 ! 0.9841 878:20 Mid 2.23, 3.47 A assign (resid 104 and name HA) (resid 108 and name HD1*) 3.65 1.85 1.85 ! 0.0000 880:20 Mid 5.10, 6.01 A assign (resid 94 and name HA) (resid 83 and name HD2*) 3.15 1.35 1.35 ! 0.8660 881:20 Ambig 4.26, 5.03 A or (resid 76 and name HA) (resid 83 and name HD2*) ! 0.1340 881:20 ----- 5.81, 7.00 A assign (resid 73 and name HA) (resid 83 and name HD2*) 3.15 1.35 1.35 ! 0.9938 882:20 Long 2.06, 3.24 A assign (resid 70 and name HB*) (resid 65 and name HD1*) 3.15 1.35 1.35 ! 0.7766 883:20 Ambig 3.32, 6.50 A or (resid 66 and name HD2) (resid 65 and name HD1*) ! 0.2047 883:20 ----- 4.14, 5.39 A assign (resid 14 and name HA) (resid 17 and name HD2*) 2.65 0.85 0.85 ! 0.5760 884:20 Ambig 2.89, 4.50 A or (resid 49 and name HA1) (resid 17 and name HD2*) ! 0.2070 884:20 ----- 3.43, 6.37 A or (resid 44 and name HB*) (resid 17 and name HD2*) ! 0.0910 884:20 ----- 3.93, 5.93 A or (resid 17 and name HA) (resid 17 and name HD2*) ! 0.0679 884:20 ----- 4.13, 4.67 A or (resid 13 and name HA) (resid 17 and name HD2*) ! 0.0556 884:20 ----- 4.27, 6.54 A assign (resid 45 and name HA) (resid 17 and name HD2*) 3.15 1.35 1.35 ! 0.9937 886:20 Long 1.90, 2.66 A assign (resid 77 and name HB2) (resid 97 and name HD1*) 3.65 1.85 1.85 ! 0.9883 887:20 Long 3.11, 4.35 A assign (resid 76 and name HA) (resid 79 and name HD1*) 3.15 1.35 1.35 ! 0.9117 888:20 Ambig 3.28, 4.61 A or (resid 75 and name HA) (resid 79 and name HD1*) ! 0.0883 888:20 ----- 4.84, 5.58 A assign (resid 66 and name HD1) (resid 66 and name HG1) 3.15 1.35 1.35 ! 0.9430 889:20 Ambig 2.25, 2.29 A or (resid 88 and name HE*) (resid 103 and name HG1) ! 0.0551 889:20 ----- 3.62, 7.52 A assign (resid 48 and name HD2) (resid 48 and name HG1) 2.65 0.85 0.85 ! 0.7989 890:20 Ambig 2.38, 2.45 A or (resid 48 and name HD1) (resid 48 and name HG1) ! 0.2011 890:20 ----- 2.99, 3.01 A assign (resid 48 and name HD1) (resid 48 and name HG2) 2.65 0.85 0.85 ! 0.8075 891:20 Ambig 2.35, 2.42 A or (resid 48 and name HD2) (resid 48 and name HG2) ! 0.1925 891:20 ----- 2.98, 3.00 A assign (resid 24 and name HE*) (resid 24 and name HD2) 2.65 0.85 0.85 ! 0.9978 893:20 Intra 2.38, 2.71 A assign (resid 53 and name HD2) (resid 53 and name HG*) 2.65 0.85 0.85 ! 0.6226 894:20 Ambig 2.37, 2.71 A or (resid 66 and name HD1) (resid 66 and name HG2) ! 0.3354 894:20 ----- 2.63, 2.72 A assign (resid 53 and name HD1) (resid 53 and name HG*) 3.15 1.35 1.35 ! 0.9899 895:20 Intra 2.32, 2.70 A assign (resid 93 and name HE1) (resid 93 and name HD2) 3.15 1.35 1.35 ! 0.9557 896:20 Intra 2.36, 2.56 A assign (resid 93 and name HE2) (resid 93 and name HD1) 3.15 1.35 1.35 ! 0.4678 897:20 Ambig 2.37, 2.56 A or (resid 93 and name HE1) (resid 93 and name HD1) ! 0.4256 897:20 ----- 2.41, 2.78 A or (resid 93 and name HE1) (resid 97 and name HG) ! 0.0731 897:20 ----- 3.23, 4.27 A assign (resid 88 and name HE*) (resid 88 and name HG2) 3.15 1.35 1.35 ! 0.0000 898:20 Intra 2.33, 3.03 A assign (resid 16 and name HA) (resid 107 and name HD1*) 3.65 1.85 1.85 ! 0.0000 899:20 Long 2.28, 3.50 A assign (resid 12 and name HE*) (resid 108 and name HD1*) 3.15 1.35 1.35 ! 0.9940 900:20 Long 2.46, 5.54 A assign (resid 43 and name HB2) (resid 46 and name HD1*) 3.15 1.35 1.35 ! 0.4947 901:20 Ambig 3.69, 5.93 A or (resid 43 and name HB1) (resid 46 and name HD1*) ! 0.4753 901:20 ----- 3.72, 6.15 A assign (resid 90 and name HA) (resid 65 and name HD1*) 3.15 1.35 1.35 ! 0.9995 902:20 Long 1.95, 2.87 A assign (resid 93 and name HE1) (resid 65 and name HD1*) 3.65 1.85 1.85 ! 0.9750 903:20 Long 2.02, 5.68 A assign (resid 48 and name HD2) (resid 17 and name HD2*) 3.15 1.35 1.35 ! 0.0000 904:20 Long 2.06, 3.13 A assign (resid 93 and name HE1) (resid 97 and name HD1*) 3.15 1.35 1.35 ! 0.9974 905:20 Mid 2.12, 4.69 A assign (resid 100 and name HB1) (resid 82 and name HD1*) 3.15 1.35 1.35 ! 0.0000 906:20 Long 4.04, 5.32 A assign (resid 2 and name HB*) (resid 79 and name HD1*) 3.65 1.85 1.85 ! 0.0000 907:20 Long 2.55, 3.68 A assign (resid 15 and name HG1) (resid 15 and name HB2) 2.65 0.85 0.85 ! 0.0000 908:20 Intra 2.36, 2.43 A assign (resid 15 and name HG1) (resid 15 and name HB1) 2.65 0.85 0.85 ! 0.0000 910:20 Intra 2.99, 3.00 A assign (resid 105 and name HG2) (resid 105 and name HB1) 2.30 0.50 0.50 ! 0.2116 911:20 Ambig 2.28, 2.43 A or (resid 105 and name HG1) (resid 105 and name HB2) ! 0.1959 911:20 ----- 2.31, 2.68 A or (resid 67 and name HG2) (resid 67 and name HB2) ! 0.1861 911:20 ----- 2.33, 2.83 A or (resid 105 and name HG2) (resid 105 and name HB2) ! 0.1672 911:20 ----- 2.37, 2.77 A or (resid 105 and name HG1) (resid 105 and name HB1) ! 0.1638 911:20 ----- 2.38, 2.77 A or (resid 103 and name HB2) (resid 105 and name HB2) ! 0.0279 911:20 ----- 3.20, 3.71 A assign (resid 103 and name HB1) (resid 103 and name HG1) 2.65 0.85 0.85 ! 0.6112 913:20 Ambig 2.29, 2.31 A or (resid 103 and name HB2) (resid 103 and name HG1) ! 0.2544 913:20 ----- 2.65, 2.89 A or (resid 106 and name HG1) (resid 103 and name HG1) ! 0.0726 913:20 ----- 3.27, 5.18 A or (resid 106 and name HG2) (resid 103 and name HG1) ! 0.0592 913:20 ----- 3.38, 5.14 A assign (resid 48 and name HB2) (resid 48 and name HG1) 2.65 0.85 0.85 ! 0.0000 915:20 Intra 2.35, 2.41 A assign (resid 48 and name HB2) (resid 48 and name HG2) 2.65 0.85 0.85 ! 0.0000 916:20 Intra 2.98, 3.00 A assign (resid 60 and name HB2) (resid 60 and name HG2) 2.30 0.50 0.50 ! 0.9950 919:20 Intra 2.26, 2.32 A assign (resid 88 and name HB*) (resid 88 and name HG2) 2.30 0.50 0.50 ! 0.0000 920:20 Intra 2.33, 2.61 A assign (resid 51 and name HB) (resid 51 and name HG11) 3.15 1.35 1.35 ! 0.9948 921:20 Intra 2.45, 2.48 A assign (resid 12 and name HB1) (resid 12 and name HG2) 3.15 1.35 1.35 ! 0.0000 922:20 Intra 2.36, 2.55 A assign (resid 107 and name HB1) (resid 107 and name HD1*) 3.15 1.35 1.35 ! 0.9957 924:20 Intra 2.37, 3.04 A assign (resid 105 and name HG1) (resid 108 and name HD1*) 3.15 1.35 1.35 ! 0.0000 925:20 Mid 2.33, 4.65 A assign (resid 105 and name HB2) (resid 108 and name HD1*) 2.65 0.85 0.85 ! 0.5424 926:20 Ambig 3.72, 6.05 A or (resid 105 and name HB1) (resid 108 and name HD1*) ! 0.4576 926:20 ----- 3.83, 5.54 A assign (resid 106 and name HB1) (resid 102 and name HG11) 3.65 1.85 1.85 ! 0.7297 927:20 Ambig 4.80, 5.25 A or (resid 113 and name HB2) (resid 112 and name HD2*) ! 0.1960 927:20 ----- 5.98, 7.76 A or (resid 1 and name HE*) (resid 102 and name HG11) ! 0.0743 927:20 ----- 7.03, 7.98 A assign (resid 73 and name HG12) (resid 83 and name HD2*) 2.65 0.85 0.85 ! 0.9727 928:20 Long 2.02, 2.65 A assign (resid 62 and name HB) (resid 65 and name HD1*) 2.65 0.85 0.85 ! 0.4479 929:20 Ambig 2.08, 5.14 A or (resid 93 and name HB2) (resid 65 and name HD1*) ! 0.3625 929:20 ----- 2.16, 3.41 A or (resid 65 and name HB1) (resid 65 and name HD1*) ! 0.1857 929:20 ----- 2.41, 3.09 A assign (resid 1 and name HG2) (resid 82 and name HD1*) 3.65 1.85 1.85 ! 0.8727 930:20 Ambig 4.97, 6.78 A or (resid 96 and name HG1) (resid 97 and name HD1*) ! 0.1273 930:20 ----- 6.85, 7.76 A assign (resid 48 and name HB2) (resid 17 and name HD2*) 2.65 0.85 0.85 ! 0.9961 931:20 Long 1.86, 2.86 A assign (resid 1 and name HE*) (resid 82 and name HD1*) 3.15 1.35 1.35 ! 0.7148 932:20 Ambig 4.08, 6.27 A or (resid 23 and name HB2) (resid 82 and name HD1*) ! 0.2124 932:20 ----- 4.99, 6.87 A or (resid 106 and name HB1) (resid 82 and name HD1*) ! 0.0727 932:20 ----- 5.97, 7.62 A assign (resid 104 and name HB) (resid 105 and name HB2) 3.65 1.85 1.85 ! 0.5675 933:20 Ambig 4.40, 4.98 A or (resid 108 and name HB1) (resid 105 and name HB1) ! 0.1918 933:20 ----- 5.27, 5.99 A or (resid 104 and name HB) (resid 105 and name HB1) ! 0.1659 933:20 ----- 5.40, 5.95 A or (resid 108 and name HB1) (resid 105 and name HB2) ! 0.0749 933:20 ----- 6.16, 6.92 A assign (resid 108 and name HB2) (resid 105 and name HB1) 3.15 1.35 1.35 ! 0.5901 934:20 Ambig 3.77, 4.43 A or (resid 109 and name HB*) (resid 105 and name HB1) ! 0.3968 934:20 ----- 4.03, 5.68 A assign (resid 45 and name HB*) (resid 46 and name HG) 3.15 1.35 1.35 ! 0.7042 937:20 Ambig 3.14, 4.25 A or (resid 42 and name HG12) (resid 46 and name HG) ! 0.2958 937:20 ----- 3.63, 4.01 A assign (resid 24 and name HG1) (resid 24 and name HD1) 2.65 0.85 0.85 ! 0.5397 939:20 Ambig 2.43, 2.76 A or (resid 24 and name HB1) (resid 24 and name HD1) ! 0.4513 939:20 ----- 2.51, 3.88 A assign (resid 42 and name HB) (resid 42 and name HG11) 2.65 0.85 0.85 ! 0.8129 944:20 Ambig 3.01, 3.02 A or (resid 35 and name HB*) (resid 42 and name HG11) ! 0.1061 944:20 ----- 4.23, 5.02 A or (resid 46 and name HB1) (resid 42 and name HG11) ! 0.0374 944:20 ----- 5.03, 5.28 A assign (resid 107 and name HG) (resid 107 and name HD1*) 2.30 0.50 0.50 ! 0.9827 948:20 Intra 2.38, 2.61 A assign (resid 107 and name HB2) (resid 107 and name HD1*) 2.65 0.85 0.85 ! 0.8839 949:20 Ambig 3.55, 3.89 A or (resid 84 and name HG11) (resid 107 and name HD1*) ! 0.0776 949:20 ----- 5.32, 6.35 A assign (resid 15 and name HB1) (resid 108 and name HD1*) 2.30 0.50 0.50 ! 0.5108 950:20 Ambig 2.11, 4.00 A or (resid 46 and name HG) (resid 46 and name HD1*) ! 0.2417 950:20 ----- 2.39, 2.62 A or (resid 108 and name HG) (resid 108 and name HD1*) ! 0.2326 950:20 ----- 2.40, 2.63 A assign (resid 46 and name HB1) (resid 46 and name HD1*) 2.30 0.50 0.50 ! 0.9744 951:20 Intra 2.50, 3.12 A assign (resid 42 and name HG12) (resid 46 and name HD1*) 3.15 1.35 1.35 ! 0.9356 952:20 Ambig 3.15, 4.51 A or (resid 45 and name HB*) (resid 46 and name HD1*) ! 0.0431 952:20 ----- 5.26, 6.70 A assign (resid 83 and name HB2) (resid 83 and name HD2*) 2.65 0.85 0.85 ! 0.9408 953:20 Ambig 2.52, 3.19 A or (resid 91 and name HG12) (resid 83 and name HD2*) ! 0.0293 953:20 ----- 4.50, 5.79 A assign (resid 94 and name HB*) (resid 83 and name HD2*) 2.30 0.50 0.50 ! 0.0000 954:20 Long 2.31, 3.21 A assign (resid 83 and name HG) (resid 83 and name HD2*) 2.30 0.50 0.50 ! 0.8271 955:20 Ambig 2.39, 2.62 A or (resid 85 and name HB*) (resid 83 and name HD2*) ! 0.1729 955:20 ----- 3.11, 4.74 A assign (resid 97 and name HG) (resid 97 and name HD1*) 2.30 0.50 0.50 ! 0.3546 956:20 Ambig 2.41, 2.62 A or (resid 97 and name HB2) (resid 97 and name HD1*) ! 0.3365 956:20 ----- 2.43, 3.06 A or (resid 97 and name HB1) (resid 97 and name HD1*) ! 0.3089 956:20 ----- 2.46, 3.08 A assign (resid 84 and name HG11) (resid 82 and name HD1*) 2.30 0.50 0.50 ! 0.5878 957:20 Ambig 2.25, 3.77 A or (resid 82 and name HB*) (resid 82 and name HD1*) ! 0.3938 957:20 ----- 2.40, 3.45 A assign (resid 79 and name HG) (resid 79 and name HD1*) 2.65 0.85 0.85 ! 0.8215 958:20 Ambig 2.42, 2.63 A or (resid 53 and name HB1) (resid 79 and name HD1*) ! 0.1754 958:20 ----- 3.13, 4.88 A assign (resid 53 and name HG*) (resid 79 and name HD1*) 2.65 0.85 0.85 ! 0.6799 959:20 Ambig 2.18, 5.00 A or (resid 79 and name HB1) (resid 79 and name HD1*) ! 0.3158 959:20 ----- 2.48, 3.10 A assign (resid 75 and name HG2*) (resid 79 and name HD1*) 3.65 1.85 1.85 ! 0.0000 960:20 Mid 5.28, 6.60 A assign (resid 30 and name HD1*) (resid 67 and name HB1) 3.15 1.35 1.35 ! 0.0000 961:20 Long 2.66, 3.72 A assign (resid 91 and name HD1*) (resid 103 and name HG2) 3.15 1.35 1.35 ! 0.0000 963:20 Long 3.70, 4.69 A assign (resid 30 and name HD1*) (resid 67 and name HB2) 3.15 1.35 1.35 ! 0.7114 964:20 Ambig 2.74, 4.42 A or (resid 108 and name HD1*) (resid 105 and name HB2) ! 0.1134 964:20 ----- 3.72, 6.05 A or (resid 108 and name HD1*) (resid 105 and name HB1) ! 0.0957 964:20 ----- 3.83, 5.54 A or (resid 104 and name HG2*) (resid 105 and name HB2) ! 0.0610 964:20 ----- 4.13, 6.02 A assign (resid 91 and name HD1*) (resid 103 and name HG1) 2.30 0.50 0.50 ! 0.6651 965:20 Ambig 2.08, 3.20 A or (resid 5 and name HD1*) (resid 5 and name HG12) ! 0.3164 965:20 ----- 2.35, 2.61 A assign (resid 66 and name HB2) (resid 66 and name HG1) 3.15 1.35 1.35 ! 0.0000 966:20 Intra 2.67, 2.93 A assign (resid 30 and name HD2*) (resid 30 and name HG) 2.65 0.85 0.85 ! 0.9975 967:20 Intra 2.42, 2.64 A assign (resid 30 and name HD1*) (resid 30 and name HG) 2.65 0.85 0.85 ! 0.0000 968:20 Intra 2.41, 2.63 A assign (resid 46 and name HD1*) (resid 46 and name HG) 2.30 0.50 0.50 ! 0.3596 969:20 Ambig 2.39, 2.62 A or (resid 108 and name HD1*) (resid 108 and name HG) ! 0.3462 969:20 ----- 2.40, 2.63 A or (resid 104 and name HG2*) (resid 108 and name HG) ! 0.2789 969:20 ----- 2.49, 3.30 A assign (resid 91 and name HD1*) (resid 88 and name HD*) 4.15 2.35 2.35 ! 0.0000 971:20 Mid 2.31, 6.19 A assign (resid 65 and name HB2) (resid 65 and name HG) 2.30 0.50 0.50 ! 0.0000 973:20 Intra 2.42, 2.47 A assign (resid 82 and name HD1*) (resid 82 and name HG) 2.30 0.50 0.50 ! 0.5032 975:20 Ambig 2.38, 2.61 A or (resid 82 and name HD2*) (resid 82 and name HG) ! 0.4968 975:20 ----- 2.39, 2.62 A assign (resid 97 and name HD1*) (resid 97 and name HG) 2.30 0.50 0.50 ! 0.5051 976:20 Ambig 2.41, 2.62 A or (resid 97 and name HD2*) (resid 97 and name HG) ! 0.4949 976:20 ----- 2.41, 2.64 A assign (resid 42 and name HD1*) (resid 42 and name HG12) 2.65 0.85 0.85 ! 0.8562 979:20 Ambig 2.39, 2.62 A or (resid 27 and name HD1*) (resid 42 and name HG12) ! 0.1227 979:20 ----- 3.30, 5.75 A assign (resid 42 and name HD1*) (resid 42 and name HG11) 2.65 0.85 0.85 ! 0.9298 980:20 Ambig 2.41, 2.63 A or (resid 27 and name HD1*) (resid 42 and name HG11) ! 0.0377 980:20 ----- 4.11, 6.52 A assign (resid 40 and name HD1*) (resid 40 and name HG12) 2.30 0.50 0.50 ! 0.0000 981:20 Intra 2.39, 2.61 A assign (resid 42 and name HD1*) (resid 27 and name HG12) 2.65 0.85 0.85 ! 0.6052 986:20 Ambig 2.12, 3.77 A or (resid 27 and name HD1*) (resid 27 and name HG12) ! 0.3459 986:20 ----- 2.33, 2.61 A assign (resid 108 and name HD2*) (resid 107 and name HD1*) 2.30 0.50 0.50 ! 0.6412 988:20 Ambig 2.53, 4.50 A or (resid 84 and name HD1*) (resid 107 and name HD1*) ! 0.2334 988:20 ----- 3.00, 4.60 A or (resid 84 and name HG2*) (resid 107 and name HD1*) ! 0.0497 988:20 ----- 3.88, 5.73 A or (resid 16 and name HD1*) (resid 107 and name HD1*) ! 0.0432 988:20 ----- 3.97, 5.83 A assign (resid 83 and name HB1) (resid 83 and name HD2*) 2.30 0.50 0.50 ! 0.9899 989:20 Intra 2.39, 3.00 A assign (resid 65 and name HB2) (resid 65 and name HD1*) 3.15 1.35 1.35 ! 0.0000 990:20 Intra 2.38, 3.03 A assign (resid 90 and name HG2*) (resid 65 and name HD1*) 2.65 0.85 0.85 ! 0.0000 991:20 Long 2.08, 4.36 A assign (resid 75 and name HG1*) (resid 79 and name HD1*) 2.30 0.50 0.50 ! 0.5109 993:20 Ambig 2.31, 3.69 A or (resid 26 and name HG1*) (resid 79 and name HD1*) ! 0.4822 993:20 ----- 2.33, 4.32 A assign (resid 79 and name HD1*) (resid 53 and name HG*) 3.65 1.85 1.85 ! 0.0000 995:20 Long 2.18, 5.00 A assign (resid 79 and name HD1*) (resid 79 and name HG) 2.65 0.85 0.85 ! 0.0000 996:20 Intra 2.42, 2.63 A assign (resid 16 and name HG2*) (resid 107 and name HD1*) 3.15 1.35 1.35 ! 0.0000 997:20 Long 1.96, 3.97 A assign (resid 30 and name HN) (resid 29 and name HG2*) 3.65 1.85 1.85 ! 0.0000 998:20 Seq 4.47, 4.98 A assign (resid 30 and name HN) (resid 30 and name HD2*) 3.15 1.35 1.35 ! 0.0000 999:20 Intra 3.21, 4.26 A assign (resid 4 and name HN) (resid 81 and name HB*) 3.15 1.35 1.35 ! 0.0000 1000:20 Long 3.02, 3.90 A assign (resid 4 and name HN) (resid 83 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1001:20 Long 3.67, 4.69 A assign (resid 4 and name HN) (resid 3 and name HB*) 2.65 0.85 0.85 ! 0.0000 1002:20 Seq 3.43, 4.07 A assign (resid 4 and name HN) (resid 82 and name HD2*) 4.15 2.35 2.35 ! 0.0000 1003:20 Long 6.43, 7.08 A assign (resid 4 and name HN) (resid 4 and name HG1*) 3.15 1.35 1.35 ! 0.8724 1004:20 Ambig 4.41, 4.61 A or (resid 4 and name HN) (resid 26 and name HG1*) ! 0.1276 1004:20 ----- 6.07, 6.81 A assign (resid 102 and name HN) (resid 102 and name HG12) 3.65 1.85 1.85 ! 0.0000 1005:20 Intra 3.88, 4.01 A assign (resid 14 and name HN) (resid 14 and name HG1) 3.15 1.35 1.35 ! 0.9904 1006:20 Intra 1.93, 2.18 A assign (resid 55 and name HN) (resid 54 and name HB*) 2.65 0.85 0.85 ! 0.0000 1007:20 Seq 2.60, 3.64 A assign (resid 63 and name HN) (resid 93 and name HG1) 3.65 1.85 1.85 ! 0.9022 1008:20 Ambig 2.15, 6.89 A or (resid 14 and name HN) (resid 14 and name HG2) ! 0.0921 1008:20 ----- 3.14, 3.42 A assign (resid 55 and name HN) (resid 75 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1010:20 Long 2.81, 3.90 A assign (resid 81 and name HN) (resid 81 and name HB*) 2.65 0.85 0.85 ! 0.0000 1011:20 Intra 2.43, 3.00 A assign (resid 75 and name HN) (resid 75 and name HG2*) 2.65 0.85 0.85 ! 0.9951 1012:20 Intra 2.24, 3.22 A assign (resid 102 and name HN) (resid 101 and name HB*) 2.65 0.85 0.85 ! 0.9699 1013:20 Seq 3.07, 3.83 A assign (resid 102 and name HN) (resid 85 and name HB*) 3.15 1.35 1.35 ! 0.5462 1014:20 Ambig 4.46, 5.53 A or (resid 84 and name HN) (resid 85 and name HB*) ! 0.4538 1014:20 ----- 4.60, 5.53 A assign (resid 28 and name HN) (resid 28 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1017:20 Intra 2.50, 3.40 A assign (resid 55 and name HN) (resid 28 and name HG2*) 3.65 1.85 1.85 ! 0.5280 1018:20 Ambig 4.34, 5.64 A or (resid 5 and name HN) (resid 28 and name HG2*) ! 0.2925 1018:20 ----- 4.79, 6.10 A or (resid 27 and name HN) (resid 28 and name HG2*) ! 0.1795 1018:20 ----- 5.20, 6.13 A assign (resid 75 and name HN) (resid 28 and name HG2*) 3.65 1.85 1.85 ! 0.9752 1019:20 Long 4.02, 4.63 A assign (resid 102 and name HN) (resid 102 and name HG11) 3.15 1.35 1.35 ! 0.9854 1020:20 Intra 2.27, 2.44 A assign (resid 84 and name HN) (resid 83 and name HD1*) 2.65 0.85 0.85 ! 0.9942 1021:20 Seq 2.38, 3.59 A assign (resid 25 and name HN) (resid 50 and name HG2*) 3.15 1.35 1.35 ! 0.8711 1022:20 Ambig 3.98, 5.27 A or (resid 27 and name HN) (resid 50 and name HG2*) ! 0.0830 1022:20 ----- 5.89, 6.56 A assign (resid 5 and name HN) (resid 83 and name HD1*) 3.65 1.85 1.85 ! 0.9097 1023:20 Ambig 4.33, 5.29 A or (resid 8 and name HN) (resid 83 and name HD1*) ! 0.0903 1023:20 ----- 6.37, 7.82 A assign (resid 26 and name HN) (resid 26 and name HG1*) 3.15 1.35 1.35 ! 0.4025 1026:20 Ambig 4.35, 4.65 A or (resid 26 and name HN) (resid 4 and name HG1*) ! 0.3373 1026:20 ----- 4.48, 5.43 A or (resid 84 and name HN) (resid 4 and name HG1*) ! 0.2602 1026:20 ----- 4.68, 5.70 A assign (resid 27 and name HN) (resid 50 and name HG1*) 2.65 0.85 0.85 ! 0.8310 1027:20 Ambig 2.94, 3.64 A or (resid 27 and name HN) (resid 52 and name HG2*) ! 0.0806 1027:20 ----- 4.34, 5.38 A or (resid 27 and name HN) (resid 52 and name HG1*) ! 0.0445 1027:20 ----- 4.79, 6.11 A assign (resid 5 and name HN) (resid 4 and name HG1*) 2.30 0.50 0.50 ! 0.9569 1028:20 Seq 2.73, 3.41 A assign (resid 75 and name HN) (resid 75 and name HG1*) 3.15 1.35 1.35 ! 0.7221 1029:20 Ambig 4.32, 4.55 A or (resid 78 and name HN) (resid 75 and name HG1*) ! 0.2779 1029:20 ----- 5.07, 5.71 A assign (resid 26 and name HN) (resid 26 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1030:20 Intra 2.53, 3.58 A assign (resid 102 and name HN) (resid 82 and name HD2*) 3.65 1.85 1.85 ! 0.8461 1032:20 Ambig 4.90, 5.97 A or (resid 84 and name HN) (resid 82 and name HD2*) ! 0.1539 1032:20 ----- 6.51, 7.44 A assign (resid 100 and name HN) (resid 82 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1033:20 Long 3.68, 5.36 A assign (resid 9 and name HN) (resid 13 and name HD2*) 3.65 1.85 1.85 ! 0.4302 1034:20 Ambig 5.04, 7.41 A or (resid 9 and name HN) (resid 13 and name HD1*) ! 0.2899 1034:20 ----- 5.39, 7.32 A or (resid 5 and name HN) (resid 13 and name HD2*) ! 0.1484 1034:20 ----- 6.02, 7.82 A or (resid 5 and name HN) (resid 13 and name HD1*) ! 0.1315 1034:20 ----- 6.15, 8.00 A assign (resid 14 and name HN) (resid 13 and name HD2*) 3.65 1.85 1.85 ! 0.6191 1035:20 Ambig 2.21, 5.30 A or (resid 14 and name HN) (resid 13 and name HD1*) ! 0.3809 1035:20 ----- 2.40, 5.30 A assign (resid 25 and name HN) (resid 17 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1036:20 Long 4.43, 5.28 A assign (resid 78 and name HN) (resid 79 and name HD2*) 3.65 1.85 1.85 ! 0.6373 1037:20 Ambig 5.57, 6.58 A or (resid 81 and name HN) (resid 79 and name HD2*) ! 0.3627 1037:20 ----- 6.12, 6.99 A assign (resid 93 and name HN) (resid 93 and name HG2) 3.65 1.85 1.85 ! 0.0000 1038:20 Intra 2.23, 3.63 A assign (resid 21 and name HN) (resid 21 and name HG*) 3.15 1.35 1.35 ! 0.9981 1039:20 Intra 1.82, 3.51 A assign (resid 54 and name HN) (resid 54 and name HB*) 2.30 0.50 0.50 ! 0.0000 1040:20 Intra 2.41, 3.02 A assign (resid 3 and name HN) (resid 81 and name HB*) 3.15 1.35 1.35 ! 0.0000 1041:20 Long 3.87, 4.94 A assign (resid 79 and name HN) (resid 81 and name HB*) 3.15 1.35 1.35 ! 0.6142 1042:20 Ambig 4.26, 5.10 A or (resid 76 and name HN) (resid 81 and name HB*) ! 0.3305 1042:20 ----- 4.73, 5.84 A or (resid 24 and name HN) (resid 81 and name HB*) ! 0.0553 1042:20 ----- 6.37, 7.42 A assign (resid 24 and name HN) (resid 24 and name HG2) 3.65 1.85 1.85 ! 0.5804 1043:20 Ambig 4.47, 4.68 A or (resid 65 and name HN) (resid 93 and name HG1) ! 0.4196 1043:20 ----- 4.72, 5.93 A assign (resid 76 and name HN) (resid 75 and name HG2*) 3.15 1.35 1.35 ! 0.8515 1044:20 Ambig 4.22, 4.84 A or (resid 79 and name HN) (resid 75 and name HG2*) ! 0.1485 1044:20 ----- 5.64, 6.68 A assign (resid 80 and name HN) (resid 81 and name HB*) 3.15 1.35 1.35 ! 0.0000 1045:20 Seq 4.08, 4.87 A assign (resid 32 and name HN) (resid 32 and name HG1*) 2.65 0.85 0.85 ! 0.9979 1046:20 Intra 2.20, 3.19 A assign (resid 95 and name HN) (resid 101 and name HB*) 2.65 0.85 0.85 ! 0.6330 1047:20 Ambig 3.23, 4.24 A or (resid 83 and name HN) (resid 101 and name HB*) ! 0.2360 1047:20 ----- 3.81, 4.76 A or (resid 94 and name HN) (resid 101 and name HB*) ! 0.1310 1047:20 ----- 4.20, 4.76 A assign (resid 53 and name HN) (resid 32 and name HG1*) 3.65 1.85 1.85 ! 0.6375 1048:20 Ambig 5.00, 6.10 A or (resid 52 and name HN) (resid 32 and name HG1*) ! 0.3625 1048:20 ----- 5.49, 6.40 A assign (resid 110 and name HN) (resid 107 and name HD2*) 3.15 1.35 1.35 ! 0.4321 1049:20 Ambig 4.25, 5.70 A or (resid 31 and name HN) (resid 32 and name HG1*) ! 0.2969 1049:20 ----- 4.52, 5.71 A or (resid 108 and name HN) (resid 107 and name HD2*) ! 0.2710 1049:20 ----- 4.59, 5.47 A assign (resid 85 and name HN) (resid 85 and name HB*) 2.65 0.85 0.85 ! 0.8170 1050:20 Ambig 2.76, 3.34 A or (resid 6 and name HN) (resid 85 and name HB*) ! 0.1830 1050:20 ----- 3.54, 4.86 A assign (resid 53 and name HN) (resid 29 and name HG2*) 3.65 1.85 1.85 ! 0.9683 1052:20 Long 3.76, 5.52 A assign (resid 47 and name HN) (resid 50 and name HG2*) 3.65 1.85 1.85 ! 0.5886 1053:20 Ambig 5.66, 6.70 A or (resid 17 and name HN) (resid 50 and name HG2*) ! 0.4114 1053:20 ----- 6.01, 6.58 A assign (resid 6 and name HN) (resid 83 and name HD1*) 3.15 1.35 1.35 ! 0.9371 1054:20 Ambig 3.44, 4.33 A or (resid 85 and name HN) (resid 83 and name HD1*) ! 0.0629 1054:20 ----- 5.39, 6.36 A assign (resid 51 and name HN) (resid 50 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1055:20 Seq 4.24, 4.96 A assign (resid 83 and name HN) (resid 83 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1056:20 Intra 4.79, 5.33 A assign (resid 49 and name HN) (resid 50 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1057:20 Seq 3.53, 4.95 A assign (resid 89 and name HN) (resid 90 and name HG2*) 3.15 1.35 1.35 ! 0.9548 1058:20 Seq 3.77, 4.96 A assign (resid 89 and name HN) (resid 65 and name HD2*) 3.15 1.35 1.35 ! 0.9616 1059:20 Long 3.35, 5.05 A assign (resid 65 and name HN) (resid 65 and name HD2*) 3.15 1.35 1.35 ! 0.0000 1060:20 Intra 3.52, 4.53 A assign (resid 51 and name HN) (resid 50 and name HG1*) 2.30 0.50 0.50 ! 0.8119 1063:20 Ambig 2.83, 3.50 A or (resid 54 and name HN) (resid 52 and name HG1*) ! 0.0912 1063:20 ----- 4.08, 6.04 A or (resid 54 and name HN) (resid 52 and name HG2*) ! 0.0762 1063:20 ----- 4.20, 6.47 A assign (resid 54 and name HN) (resid 75 and name HG1*) 3.15 1.35 1.35 ! 0.5161 1064:20 Ambig 4.98, 6.29 A or (resid 95 and name HN) (resid 99 and name HG2*) ! 0.2105 1064:20 ----- 5.79, 6.69 A or (resid 94 and name HN) (resid 99 and name HG2*) ! 0.1288 1064:20 ----- 6.28, 7.07 A or (resid 83 and name HN) (resid 99 and name HG2*) ! 0.0953 1064:20 ----- 6.60, 7.02 A assign (resid 108 and name HN) (resid 108 and name HD2*) 3.15 1.35 1.35 ! 0.9511 1065:20 Intra 3.37, 4.19 A assign (resid 53 and name HN) (resid 4 and name HG1*) 3.65 1.85 1.85 ! 0.0000 1066:20 Long 5.58, 6.78 A assign (resid 31 and name HN) (resid 32 and name HG2*) 3.15 1.35 1.35 ! 0.8008 1067:20 Ambig 3.96, 5.21 A or (resid 31 and name HN) (resid 30 and name HD2*) ! 0.1992 1067:20 ----- 4.99, 5.75 A assign (resid 3 and name HN) (resid 3 and name HB*) 2.65 0.85 0.85 ! 0.0000 1068:20 Intra 2.57, 3.21 A assign (resid 32 and name HN) (resid 32 and name HG2*) 2.65 0.85 0.85 ! 0.9869 1069:20 Intra 2.11, 3.13 A assign (resid 52 and name HN) (resid 52 and name HG1*) 2.30 0.50 0.50 ! 0.5232 1070:20 Ambig 2.04, 3.61 A or (resid 52 and name HN) (resid 52 and name HG2*) ! 0.2614 1070:20 ----- 2.29, 4.11 A or (resid 53 and name HN) (resid 52 and name HG2*) ! 0.1303 1070:20 ----- 2.57, 4.06 A or (resid 53 and name HN) (resid 52 and name HG1*) ! 0.0851 1070:20 ----- 2.76, 4.36 A assign (resid 83 and name HN) (resid 82 and name HD2*) 2.65 0.85 0.85 ! 0.0000 1071:20 Seq 3.02, 4.30 A assign (resid 17 and name HN) (resid 13 and name HD2*) 3.65 1.85 1.85 ! 0.4139 1072:20 Ambig 3.82, 6.75 A or (resid 17 and name HN) (resid 13 and name HD1*) ! 0.2717 1072:20 ----- 4.10, 7.12 A or (resid 42 and name HN) (resid 13 and name HD1*) ! 0.0815 1072:20 ----- 5.01, 7.02 A or (resid 16 and name HN) (resid 13 and name HD1*) ! 0.0811 1072:20 ----- 5.02, 7.46 A or (resid 42 and name HN) (resid 13 and name HD2*) ! 0.0792 1072:20 ----- 5.04, 7.41 A or (resid 16 and name HN) (resid 13 and name HD2*) ! 0.0726 1072:20 ----- 5.11, 7.20 A assign (resid 17 and name HN) (resid 17 and name HD1*) 3.15 1.35 1.35 ! 0.9360 1073:20 Ambig 2.40, 4.89 A or (resid 21 and name HN) (resid 17 and name HD1*) ! 0.0365 1073:20 ----- 4.12, 6.22 A assign (resid 46 and name HN) (resid 46 and name HD2*) 2.65 0.85 0.85 ! 0.0000 1074:20 Intra 3.25, 4.08 A assign (resid 79 and name HN) (resid 79 and name HD2*) 3.15 1.35 1.35 ! 0.9895 1075:20 Intra 3.51, 4.33 A assign (resid 80 and name HN) (resid 79 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1076:20 Seq 5.00, 5.80 A assign (resid 29 and name HN) (resid 54 and name HB*) 3.65 1.85 1.85 ! 0.0000 1077:20 Long 2.45, 4.58 A assign (resid 2 and name HD*) (resid 81 and name HB*) 3.15 1.35 1.35 ! 0.0000 1078:20 Long 3.21, 5.24 A assign (resid 2 and name HD*) (resid 24 and name HG2) 2.65 0.85 0.85 ! 0.9864 1079:20 Long 2.37, 4.70 A assign (resid 55 and name HD*) (resid 75 and name HG2*) 2.65 0.85 0.85 ! 0.9495 1080:20 Ambig 2.13, 4.80 A or (resid 55 and name HE*) (resid 75 and name HG2*) ! 0.0505 1080:20 ----- 3.48, 6.48 A assign (resid 20 and name HD21) (resid 107 and name HD2*) 2.65 0.85 0.85 ! 0.9884 1081:20 Long 1.88, 3.58 A assign (resid 82 and name HN) (resid 81 and name HB*) 2.65 0.85 0.85 ! 0.9978 1082:20 Seq 1.97, 2.94 A assign (resid 101 and name HN) (resid 101 and name HB*) 2.65 0.85 0.85 ! 0.0000 1083:20 Intra 2.39, 2.99 A assign (resid 91 and name HN) (resid 85 and name HB*) 3.65 1.85 1.85 ! 0.0000 1085:20 Long 3.65, 4.29 A assign (resid 29 and name HN) (resid 29 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1088:20 Intra 2.49, 3.53 A assign (resid 29 and name HN) (resid 28 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1090:20 Seq 3.60, 4.35 A assign (resid 50 and name HN) (resid 50 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1091:20 Intra 2.20, 3.24 A assign (resid 25 and name HD*) (resid 50 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1092:20 Long 3.30, 4.94 A assign (resid 90 and name HN) (resid 90 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1093:20 Intra 2.03, 3.05 A assign (resid 90 and name HN) (resid 65 and name HD2*) 3.15 1.35 1.35 ! 0.9842 1094:20 Long 2.39, 3.94 A assign (resid 50 and name HN) (resid 50 and name HG1*) 3.15 1.35 1.35 ! 0.0000 1096:20 Intra 4.36, 4.57 A assign (resid 19 and name HN) (resid 108 and name HD2*) 3.15 1.35 1.35 ! 0.7530 1097:20 Ambig 4.27, 4.87 A or (resid 109 and name HN) (resid 108 and name HD2*) ! 0.2470 1097:20 ----- 5.14, 5.77 A assign (resid 33 and name HN) (resid 32 and name HG2*) 2.65 0.85 0.85 ! 0.9335 1098:20 Ambig 2.24, 3.04 A or (resid 67 and name HE21) (resid 30 and name HD2*) ! 0.0575 1098:20 ----- 3.56, 7.16 A assign (resid 97 and name HN) (resid 99 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1099:20 Mid 4.22, 5.47 A assign (resid 2 and name HD*) (resid 4 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1101:20 Mid 5.11, 6.25 A assign (resid 2 and name HD*) (resid 26 and name HG2*) 2.30 0.50 0.50 ! 0.0000 1102:20 Long 2.29, 4.20 A assign (resid 25 and name HD*) (resid 3 and name HB*) 2.65 0.85 0.85 ! 0.0000 1103:20 Long 2.64, 4.77 A assign (resid 100 and name HD21) (resid 82 and name HD2*) 2.65 0.85 0.85 ! 0.9806 1104:20 Long 1.87, 2.62 A assign (resid 10 and name HE*) (resid 13 and name HD2*) 3.15 1.35 1.35 ! 0.5831 1105:20 Ambig 2.70, 5.78 A or (resid 10 and name HE*) (resid 13 and name HD1*) ! 0.4169 1105:20 ----- 2.86, 5.51 A assign (resid 12 and name HN) (resid 13 and name HD1*) 3.65 1.85 1.85 ! 0.8093 1106:20 Ambig 2.79, 5.75 A or (resid 12 and name HN) (resid 13 and name HD2*) ! 0.1907 1106:20 ----- 3.55, 5.95 A assign (resid 101 and name HN) (resid 82 and name HD2*) 4.15 2.35 2.35 ! 0.0000 1107:20 Long 5.19, 6.48 A assign (resid 13 and name HN) (resid 13 and name HD1*) 3.15 1.35 1.35 ! 0.6253 1108:20 Ambig 1.81, 4.34 A or (resid 13 and name HN) (resid 13 and name HD2*) ! 0.3747 1108:20 ----- 1.97, 4.50 A assign (resid 98 and name HN) (resid 97 and name HD2*) 3.15 1.35 1.35 ! 0.5996 1109:20 Ambig 4.95, 5.79 A or (resid 96 and name HN) (resid 97 and name HD2*) ! 0.4004 1109:20 ----- 5.30, 6.28 A assign (resid 97 and name HN) (resid 97 and name HD2*) 2.65 0.85 0.85 ! 0.0000 1110:20 Intra 3.34, 4.26 A assign (resid 50 and name HN) (resid 17 and name HD1*) 3.65 1.85 1.85 ! 0.7332 1111:20 Ambig 3.78, 5.00 A or (resid 18 and name HN) (resid 17 and name HD1*) ! 0.2668 1111:20 ----- 4.47, 5.47 A assign (resid 50 and name HN) (resid 46 and name HD2*) 3.15 1.35 1.35 ! 0.0000 1112:20 Mid 4.08, 5.34 A assign (resid 25 and name HD*) (resid 17 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1113:20 Long 2.50, 4.39 A assign (resid 2 and name HD*) (resid 79 and name HD2*) 2.65 0.85 0.85 ! 0.0000 1114:20 Long 3.26, 5.37 A assign (resid 34 and name HD*) (resid 37 and name HG1) 3.15 1.35 1.35 ! 0.0000 1115:20 Mid 3.87, 5.25 A assign (resid 23 and name HE*) (resid 107 and name HD2*) 2.65 0.85 0.85 ! 0.7660 1116:20 Ambig 2.45, 5.26 A or (resid 23 and name HD*) (resid 107 and name HD2*) ! 0.2340 1116:20 ----- 2.98, 5.69 A assign (resid 87 and name HN) (resid 85 and name HB*) 3.65 1.85 1.85 ! 0.0000 1118:20 Mid 2.45, 3.71 A assign (resid 69 and name HN) (resid 90 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1119:20 Long 5.37, 6.25 A assign (resid 69 and name HN) (resid 65 and name HD2*) 4.15 2.35 2.35 ! 0.0000 1120:20 Mid 5.60, 7.09 A assign (resid 87 and name HN) (resid 90 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1121:20 Mid 3.66, 4.85 A assign (resid 23 and name HD*) (resid 3 and name HB*) 2.65 0.85 0.85 ! 0.9438 1122:20 Ambig 2.68, 4.57 A or (resid 23 and name HE*) (resid 3 and name HB*) ! 0.0562 1122:20 ----- 4.28, 6.06 A assign (resid 23 and name HE*) (resid 82 and name HD2*) 3.15 1.35 1.35 ! 0.9087 1123:20 Ambig 3.38, 5.56 A or (resid 23 and name HD*) (resid 82 and name HD2*) ! 0.0913 1123:20 ----- 4.95, 6.83 A assign (resid 10 and name HD*) (resid 13 and name HD1*) 2.65 0.85 0.85 ! 0.5141 1124:20 Ambig 2.00, 5.01 A or (resid 10 and name HD*) (resid 13 and name HD2*) ! 0.4761 1124:20 ----- 2.02, 5.35 A assign (resid 101 and name HA) (resid 101 and name HB*) 2.65 0.85 0.85 ! 0.0000 1125:20 Intra 2.42, 2.64 A assign (resid 28 and name HA) (resid 28 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1126:20 Intra 2.29, 2.96 A assign (resid 28 and name HA) (resid 4 and name HG1*) 3.65 1.85 1.85 ! 0.0000 1128:20 Long 4.88, 5.74 A assign (resid 28 and name HA) (resid 52 and name HG2*) 3.15 1.35 1.35 ! 0.5499 1129:20 Ambig 3.35, 5.14 A or (resid 28 and name HA) (resid 52 and name HG1*) ! 0.4501 1129:20 ----- 3.47, 5.87 A assign (resid 101 and name HA) (resid 82 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1130:20 Long 4.15, 5.68 A assign (resid 3 and name HA) (resid 81 and name HB*) 2.65 0.85 0.85 ! 0.0000 1131:20 Long 2.73, 4.01 A assign (resid 2 and name HA) (resid 81 and name HB*) 3.65 1.85 1.85 ! 0.9042 1132:20 Ambig 4.25, 5.10 A or (resid 25 and name HA) (resid 81 and name HB*) ! 0.0958 1132:20 ----- 6.18, 7.24 A assign (resid 25 and name HA) (resid 50 and name HG2*) 3.65 1.85 1.85 ! 0.8705 1133:20 Ambig 4.40, 5.62 A or (resid 103 and name HA) (resid 102 and name HG11) ! 0.1295 1133:20 ----- 6.04, 6.26 A assign (resid 83 and name HA) (resid 83 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1134:20 Intra 2.11, 3.02 A assign (resid 69 and name HA) (resid 65 and name HD2*) 4.15 2.35 2.35 ! 0.0000 1135:20 Mid 5.52, 7.53 A assign (resid 69 and name HA) (resid 90 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1136:20 Long 4.15, 5.49 A assign (resid 25 and name HA) (resid 26 and name HG1*) 3.65 1.85 1.85 ! 0.3654 1138:20 Ambig 6.26, 6.43 A or (resid 25 and name HA) (resid 4 and name HG1*) ! 0.3215 1138:20 ----- 6.40, 7.25 A or (resid 2 and name HA) (resid 26 and name HG1*) ! 0.3131 1138:20 ----- 6.43, 7.28 A assign (resid 26 and name HA) (resid 26 and name HG1*) 2.30 0.50 0.50 ! 0.8623 1139:20 Ambig 2.52, 3.13 A or (resid 52 and name HA) (resid 26 and name HG1*) ! 0.0971 1139:20 ----- 3.63, 4.45 A assign (resid 25 and name HA) (resid 3 and name HB*) 3.15 1.35 1.35 ! 0.7766 1141:20 Ambig 2.43, 3.58 A or (resid 25 and name HA) (resid 26 and name HG2*) ! 0.1042 1141:20 ----- 3.40, 4.49 A or (resid 2 and name HA) (resid 26 and name HG2*) ! 0.0982 1141:20 ----- 3.43, 4.37 A assign (resid 52 and name HA) (resid 52 and name HG1*) 2.30 0.50 0.50 ! 0.5163 1142:20 Ambig 2.48, 3.60 A or (resid 52 and name HA) (resid 52 and name HG2*) ! 0.4653 1142:20 ----- 2.52, 3.17 A assign (resid 3 and name HA) (resid 3 and name HB*) 2.65 0.85 0.85 ! 0.0000 1143:20 Intra 2.43, 2.65 A assign (resid 83 and name HA) (resid 82 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1145:20 Seq 5.53, 6.57 A assign (resid 3 and name HA) (resid 82 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1146:20 Long 5.61, 6.01 A assign (resid 61 and name HA) (resid 61 and name HG1) 3.15 1.35 1.35 ! 0.0000 1149:20 Intra 2.45, 3.07 A assign (resid 58 and name HA) (resid 58 and name HG*) 2.65 0.85 0.85 ! 0.0000 1150:20 Intra 2.40, 3.14 A assign (resid 29 and name HB) (resid 54 and name HB*) 3.15 1.35 1.35 ! 0.0000 1152:20 Long 3.79, 4.89 A assign (resid 28 and name HB) (resid 75 and name HG2*) 3.15 1.35 1.35 ! 0.8848 1154:20 Ambig 3.53, 4.71 A or (resid 53 and name HA) (resid 75 and name HG2*) ! 0.1152 1154:20 ----- 4.96, 6.22 A assign (resid 24 and name HA) (resid 24 and name HG1) 3.15 1.35 1.35 ! 0.9929 1155:20 Intra 2.38, 3.07 A assign (resid 24 and name HA) (resid 24 and name HG2) 3.15 1.35 1.35 ! 0.9396 1156:20 Ambig 2.98, 3.77 A or (resid 89 and name HA) (resid 93 and name HG1) ! 0.0407 1156:20 ----- 5.02, 6.45 A assign (resid 79 and name HA) (resid 81 and name HB*) 3.65 1.85 1.85 ! 0.7918 1157:20 Ambig 4.59, 5.73 A or (resid 77 and name HA) (resid 81 and name HB*) ! 0.2082 1157:20 ----- 5.74, 6.69 A assign (resid 81 and name HA) (resid 81 and name HB*) 2.65 0.85 0.85 ! 0.0000 1158:20 Intra 2.39, 2.62 A assign (resid 100 and name HA) (resid 101 and name HB*) 3.15 1.35 1.35 ! 0.8255 1159:20 Ambig 4.44, 4.98 A or (resid 82 and name HA) (resid 101 and name HB*) ! 0.1745 1159:20 ----- 5.75, 6.74 A assign (resid 107 and name HA) (resid 107 and name HD2*) 2.30 0.50 0.50 ! 0.9904 1160:20 Intra 2.15, 2.96 A assign (resid 84 and name HA) (resid 85 and name HB*) 3.65 1.85 1.85 ! 0.5083 1161:20 Ambig 4.52, 4.96 A or (resid 86 and name HA) (resid 85 and name HB*) ! 0.4917 1161:20 ----- 4.55, 5.10 A assign (resid 85 and name HA) (resid 85 and name HB*) 2.65 0.85 0.85 ! 0.9840 1162:20 Intra 2.42, 2.64 A assign (resid 29 and name HB) (resid 29 and name HG2*) 2.30 0.50 0.50 ! 0.0000 1165:20 Intra 2.43, 2.65 A assign (resid 28 and name HB) (resid 28 and name HG2*) 3.15 1.35 1.35 ! 0.9936 1167:20 Intra 2.40, 2.64 A assign (resid 49 and name HA2) (resid 50 and name HG2*) 3.15 1.35 1.35 ! 0.4551 1168:20 Ambig 5.05, 6.06 A or (resid 48 and name HA) (resid 50 and name HG2*) ! 0.2565 1168:20 ----- 5.55, 7.03 A or (resid 24 and name HA) (resid 50 and name HG2*) ! 0.1885 1168:20 ----- 5.85, 7.22 A or (resid 51 and name HA) (resid 50 and name HG2*) ! 0.0999 1168:20 ----- 6.50, 6.73 A assign (resid 6 and name HA) (resid 83 and name HD1*) 3.15 1.35 1.35 ! 0.9218 1170:20 Ambig 3.42, 4.61 A or (resid 85 and name HA) (resid 83 and name HD1*) ! 0.0782 1170:20 ----- 5.16, 6.19 A assign (resid 5 and name HA) (resid 83 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1171:20 Long 3.73, 4.81 A assign (resid 50 and name HA) (resid 50 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1172:20 Intra 2.46, 3.13 A assign (resid 87 and name HA) (resid 90 and name HG2*) 3.65 1.85 1.85 ! 0.4377 1173:20 Ambig 4.74, 5.66 A or (resid 85 and name HA) (resid 90 and name HG2*) ! 0.3396 1173:20 ----- 4.95, 6.70 A or (resid 89 and name HA) (resid 90 and name HG2*) ! 0.2227 1173:20 ----- 5.31, 6.29 A assign (resid 89 and name HA) (resid 65 and name HD2*) 3.15 1.35 1.35 ! 0.0000 1174:20 Long 4.24, 5.61 A assign (resid 112 and name HA) (resid 112 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1175:20 Intra 2.99, 4.68 A assign (resid 8 and name HB2) (resid 90 and name HG2*) 3.15 1.35 1.35 ! 0.9481 1176:20 Ambig 2.76, 5.11 A or (resid 65 and name HA) (resid 90 and name HG2*) ! 0.0519 1176:20 ----- 4.48, 5.42 A assign (resid 65 and name HA) (resid 65 and name HD2*) 2.30 0.50 0.50 ! 0.0000 1177:20 Intra 2.05, 2.91 A assign (resid 108 and name HA) (resid 108 and name HD2*) 2.30 0.50 0.50 ! 0.5748 1180:20 Ambig 2.08, 2.95 A or (resid 19 and name HB2) (resid 108 and name HD2*) ! 0.4237 1180:20 ----- 2.19, 3.42 A assign (resid 30 and name HA) (resid 30 and name HD2*) 2.30 0.50 0.50 ! 0.9933 1181:20 Intra 2.02, 2.92 A assign (resid 33 and name HA) (resid 32 and name HG2*) 2.65 0.85 0.85 ! 0.4436 1182:20 Ambig 3.35, 4.50 A or (resid 29 and name HB) (resid 30 and name HD2*) ! 0.2315 1182:20 ----- 3.73, 5.02 A or (resid 29 and name HB) (resid 32 and name HG2*) ! 0.1581 1182:20 ----- 3.98, 4.81 A or (resid 68 and name HA) (resid 30 and name HD2*) ! 0.1239 1182:20 ----- 4.14, 5.14 A assign (resid 51 and name HA) (resid 52 and name HG2*) 2.65 0.85 0.85 ! 0.5568 1184:20 Ambig 3.36, 5.67 A or (resid 51 and name HA) (resid 52 and name HG1*) ! 0.2649 1184:20 ----- 3.80, 5.55 A or (resid 23 and name HA) (resid 3 and name HB*) ! 0.1337 1184:20 ----- 4.26, 5.34 A assign (resid 82 and name HA) (resid 82 and name HD2*) 2.65 0.85 0.85 ! 0.9929 1185:20 Intra 2.08, 3.02 A assign (resid 10 and name HA) (resid 13 and name HD1*) 2.65 0.85 0.85 ! 0.5185 1187:20 Ambig 2.02, 3.79 A or (resid 10 and name HA) (resid 13 and name HD2*) ! 0.4815 1187:20 ----- 2.05, 4.08 A assign (resid 97 and name HA) (resid 97 and name HD2*) 2.30 0.50 0.50 ! 0.0000 1189:20 Intra 2.09, 2.92 A assign (resid 51 and name HA) (resid 46 and name HD2*) 2.65 0.85 0.85 ! 0.9785 1190:20 Long 3.55, 4.27 A assign (resid 46 and name HA) (resid 46 and name HD2*) 2.65 0.85 0.85 ! 0.9946 1191:20 Intra 2.12, 2.99 A assign (resid 79 and name HA) (resid 79 and name HD2*) 2.65 0.85 0.85 ! 0.0000 1193:20 Intra 2.10, 2.97 A assign (resid 37 and name HA) (resid 37 and name HG2) 3.15 1.35 1.35 ! 0.8533 1194:20 Ambig 2.65, 3.79 A or (resid 110 and name HB*) (resid 102 and name HG12) ! 0.1123 1194:20 ----- 3.71, 5.75 A assign (resid 37 and name HA) (resid 37 and name HG1) 3.15 1.35 1.35 ! 0.0000 1195:20 Intra 3.11, 3.73 A assign (resid 14 and name HA) (resid 14 and name HG1) 3.15 1.35 1.35 ! 0.0000 1196:20 Intra 2.13, 2.99 A assign (resid 93 and name HA) (resid 93 and name HG1) 3.15 1.35 1.35 ! 0.0000 1197:20 Intra 2.48, 3.54 A assign (resid 14 and name HA) (resid 14 and name HG2) 3.15 1.35 1.35 ! 0.0000 1198:20 Intra 2.43, 2.66 A assign (resid 75 and name HA) (resid 75 and name HG2*) 2.30 0.50 0.50 ! 0.9976 1199:20 Intra 2.36, 3.04 A assign (resid 76 and name HA) (resid 81 and name HB*) 2.65 0.85 0.85 ! 0.9990 1200:20 Long 2.06, 3.15 A assign (resid 94 and name HA) (resid 101 and name HB*) 3.15 1.35 1.35 ! 0.8055 1201:20 Ambig 4.66, 5.50 A or (resid 103 and name HD2) (resid 101 and name HB*) ! 0.1009 1201:20 ----- 6.59, 7.57 A or (resid 88 and name HA) (resid 101 and name HB*) ! 0.0936 1201:20 ----- 6.67, 7.75 A assign (resid 29 and name HA) (resid 32 and name HG1*) 3.15 1.35 1.35 ! 0.0000 1202:20 Mid 3.44, 4.53 A assign (resid 32 and name HA) (resid 32 and name HG1*) 2.65 0.85 0.85 ! 0.9883 1203:20 Intra 2.46, 3.09 A assign (resid 29 and name HA) (resid 29 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1206:20 Intra 2.30, 2.86 A assign (resid 72 and name HA) (resid 28 and name HG2*) 2.65 0.85 0.85 ! 0.9995 1207:20 Long 1.95, 2.57 A assign (resid 45 and name HA) (resid 50 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1208:20 Long 2.89, 3.78 A assign (resid 49 and name HA1) (resid 50 and name HG2*) 3.65 1.85 1.85 ! 0.6087 1209:20 Ambig 4.58, 5.58 A or (resid 17 and name HA) (resid 50 and name HG2*) ! 0.3913 1209:20 ----- 4.93, 5.56 A assign (resid 6 and name HB1) (resid 83 and name HD1*) 2.65 0.85 0.85 ! 0.5231 1210:20 Ambig 3.79, 5.01 A or (resid 72 and name HA) (resid 83 and name HD1*) ! 0.2826 1210:20 ----- 4.20, 4.83 A or (resid 76 and name HA) (resid 83 and name HD1*) ! 0.1943 1210:20 ----- 4.47, 5.48 A assign (resid 73 and name HA) (resid 83 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1211:20 Long 2.73, 3.80 A assign (resid 66 and name HD2) (resid 65 and name HD2*) 2.65 0.85 0.85 ! 0.0000 1212:20 Seq 2.93, 3.99 A assign (resid 77 and name HB2) (resid 99 and name HG2*) 3.65 1.85 1.85 ! 0.9919 1215:20 Long 2.46, 3.25 A assign (resid 33 and name HB*) (resid 32 and name HG2*) 2.65 0.85 0.85 ! 0.5128 1216:20 Ambig 3.21, 5.16 A or (resid 33 and name HB*) (resid 30 and name HD2*) ! 0.4816 1216:20 ----- 3.24, 5.15 A assign (resid 75 and name HA) (resid 75 and name HG1*) 2.30 0.50 0.50 ! 0.6504 1217:20 Ambig 2.60, 3.23 A or (resid 111 and name HB*) (resid 108 and name HD2*) ! 0.1402 1217:20 ----- 3.36, 5.78 A or (resid 76 and name HA) (resid 75 and name HG1*) ! 0.1193 1217:20 ----- 3.45, 4.61 A or (resid 15 and name HA) (resid 108 and name HD2*) ! 0.0512 1217:20 ----- 3.97, 5.18 A assign (resid 29 and name HA) (resid 32 and name HG2*) 3.15 1.35 1.35 ! 0.9974 1218:20 Mid 1.98, 2.95 A assign (resid 32 and name HA) (resid 32 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1220:20 Intra 3.69, 3.94 A assign (resid 32 and name HA) (resid 52 and name HG2*) 3.65 1.85 1.85 ! 0.5438 1221:20 Ambig 5.61, 6.48 A or (resid 32 and name HA) (resid 52 and name HG1*) ! 0.4562 1221:20 ----- 5.78, 7.77 A assign (resid 42 and name HA) (resid 13 and name HD2*) 2.65 0.85 0.85 ! 0.4284 1222:20 Ambig 2.83, 5.09 A or (resid 42 and name HA) (resid 13 and name HD1*) ! 0.3330 1222:20 ----- 2.96, 4.78 A or (resid 45 and name HA) (resid 13 and name HD2*) ! 0.1582 1222:20 ----- 3.35, 6.04 A or (resid 11 and name HA1) (resid 13 and name HD1*) ! 0.0338 1222:20 ----- 4.33, 6.90 A assign (resid 13 and name HA) (resid 13 and name HD1*) 2.65 0.85 0.85 ! 0.4781 1223:20 Ambig 2.11, 4.15 A or (resid 13 and name HA) (resid 13 and name HD2*) ! 0.4234 1223:20 ----- 2.15, 3.95 A or (resid 14 and name HA) (resid 13 and name HD1*) ! 0.0595 1223:20 ----- 2.99, 6.44 A assign (resid 10 and name HB2) (resid 13 and name HD1*) 3.15 1.35 1.35 ! 0.6758 1224:20 Ambig 4.11, 6.02 A or (resid 10 and name HB2) (resid 13 and name HD2*) ! 0.3242 1224:20 ----- 4.65, 6.45 A assign (resid 94 and name HA) (resid 97 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1226:20 Mid 5.13, 5.60 A assign (resid 77 and name HB2) (resid 97 and name HD2*) 4.15 2.35 2.35 ! 0.0000 1227:20 Long 5.19, 6.51 A assign (resid 45 and name HA) (resid 17 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1228:20 Long 2.99, 4.96 A assign (resid 17 and name HA) (resid 17 and name HD1*) 2.30 0.50 0.50 ! 0.8374 1229:20 Ambig 2.15, 3.07 A or (resid 13 and name HA) (resid 17 and name HD1*) ! 0.1182 1229:20 ----- 2.98, 7.19 A assign (resid 72 and name HA) (resid 4 and name HG1*) 2.65 0.85 0.85 ! 0.8788 1230:20 Ambig 2.55, 3.28 A or (resid 76 and name HA) (resid 4 and name HG1*) ! 0.0768 1230:20 ----- 3.82, 4.90 A assign (resid 78 and name HA) (resid 79 and name HD2*) 3.65 1.85 1.85 ! 0.5206 1231:20 Ambig 5.06, 6.43 A or (resid 75 and name HA) (resid 79 and name HD2*) ! 0.3084 1231:20 ----- 5.52, 6.14 A or (resid 76 and name HA) (resid 79 and name HD2*) ! 0.1710 1231:20 ----- 6.09, 6.44 A assign (resid 21 and name HE*) (resid 21 and name HG*) 2.30 0.50 0.50 ! 0.3440 1232:20 Ambig 2.23, 3.11 A or (resid 14 and name HE*) (resid 14 and name HG1) ! 0.2568 1232:20 ----- 2.34, 3.08 A or (resid 61 and name HE*) (resid 61 and name HG1) ! 0.1993 1232:20 ----- 2.44, 3.15 A or (resid 37 and name HE*) (resid 37 and name HG1) ! 0.1922 1232:20 ----- 2.46, 3.39 A assign (resid 53 and name HD1) (resid 54 and name HB*) 3.65 1.85 1.85 ! 0.5458 1233:20 Ambig 4.42, 6.96 A or (resid 55 and name HB1) (resid 54 and name HB*) ! 0.4542 1233:20 ----- 4.56, 6.01 A assign (resid 53 and name HD2) (resid 54 and name HB*) 3.65 1.85 1.85 ! 0.6532 1234:20 Ambig 4.29, 6.15 A or (resid 55 and name HB2) (resid 54 and name HB*) ! 0.3468 1234:20 ----- 4.76, 6.09 A assign (resid 14 and name HE*) (resid 14 and name HG2) 2.30 0.50 0.50 ! 0.3503 1235:20 Ambig 2.39, 3.33 A or (resid 12 and name HE*) (resid 12 and name HG2) ! 0.3347 1235:20 ----- 2.41, 3.23 A or (resid 61 and name HE*) (resid 61 and name HG2) ! 0.3150 1235:20 ----- 2.43, 3.16 A assign (resid 55 and name HB2) (resid 75 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1236:20 Long 2.16, 3.20 A assign (resid 2 and name HB*) (resid 81 and name HB*) 2.65 0.85 0.85 ! 0.0000 1237:20 Long 2.02, 3.23 A assign (resid 24 and name HE*) (resid 24 and name HG2) 3.15 1.35 1.35 ! 0.3570 1238:20 Ambig 2.43, 3.27 A or (resid 93 and name HE1) (resid 93 and name HG1) ! 0.3335 1238:20 ----- 2.46, 3.07 A or (resid 93 and name HE2) (resid 93 and name HG1) ! 0.2950 1238:20 ----- 2.51, 2.94 A assign (resid 91 and name HA) (resid 101 and name HB*) 2.65 0.85 0.85 ! 0.0000 1239:20 Long 2.08, 2.68 A assign (resid 91 and name HA) (resid 85 and name HB*) 3.15 1.35 1.35 ! 0.0000 1240:20 Long 3.28, 4.30 A assign (resid 25 and name HB*) (resid 50 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1242:20 Long 1.89, 3.21 A assign (resid 90 and name HA) (resid 90 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1243:20 Intra 2.47, 3.12 A assign (resid 90 and name HA) (resid 65 and name HD2*) 3.15 1.35 1.35 ! 0.0000 1244:20 Long 2.51, 3.96 A assign (resid 66 and name HD1) (resid 90 and name HG2*) 3.65 1.85 1.85 ! 0.8655 1245:20 Ambig 4.54, 5.54 A or (resid 91 and name HA) (resid 90 and name HG2*) ! 0.1345 1245:20 ----- 6.19, 6.52 A assign (resid 66 and name HD1) (resid 65 and name HD2*) 2.65 0.85 0.85 ! 0.0000 1246:20 Seq 2.86, 4.01 A assign (resid 89 and name HB2) (resid 90 and name HG2*) 3.65 1.85 1.85 ! 0.8868 1247:20 Ambig 4.64, 6.25 A or (resid 92 and name HB1) (resid 90 and name HG2*) ! 0.1132 1247:20 ----- 6.54, 7.64 A assign (resid 89 and name HB2) (resid 65 and name HD2*) 3.15 1.35 1.35 ! 0.9189 1248:20 Ambig 3.25, 4.76 A or (resid 92 and name HB1) (resid 65 and name HD2*) ! 0.0507 1248:20 ----- 5.26, 7.14 A assign (resid 87 and name HB2) (resid 90 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1249:20 Mid 3.43, 4.12 A assign (resid 16 and name HA) (resid 108 and name HD2*) 2.65 0.85 0.85 ! 0.9757 1251:20 Long 2.07, 3.06 A assign (resid 53 and name HD1) (resid 75 and name HG1*) 3.65 1.85 1.85 ! 0.9854 1252:20 Long 2.26, 4.78 A assign (resid 25 and name HB*) (resid 50 and name HG1*) 2.65 0.85 0.85 ! 0.0000 1253:20 Long 2.13, 3.85 A assign (resid 20 and name HB2) (resid 108 and name HD2*) 3.15 1.35 1.35 ! 0.9838 1254:20 Long 2.22, 4.49 A assign (resid 53 and name HD2) (resid 75 and name HG1*) 3.15 1.35 1.35 ! 0.9392 1255:20 Ambig 2.39, 5.12 A or (resid 77 and name HB1) (resid 99 and name HG2*) ! 0.0369 1255:20 ----- 4.10, 4.73 A assign (resid 68 and name HB*) (resid 30 and name HD2*) 3.15 1.35 1.35 ! 0.0000 1256:20 Long 3.42, 5.38 A assign (resid 53 and name HD2) (resid 26 and name HG1*) 3.65 1.85 1.85 ! 0.0000 1257:20 Long 3.31, 5.41 A assign (resid 2 and name HB*) (resid 26 and name HG2*) 2.30 0.50 0.50 ! 0.9800 1258:20 Long 2.15, 3.64 A assign (resid 100 and name HB2) (resid 82 and name HD2*) 3.15 1.35 1.35 ! 0.0000 1259:20 Long 3.71, 4.64 A assign (resid 100 and name HB1) (resid 82 and name HD2*) 3.15 1.35 1.35 ! 0.0000 1260:20 Long 2.09, 3.17 A assign (resid 93 and name HE1) (resid 97 and name HD2*) 3.65 1.85 1.85 ! 0.8856 1262:20 Ambig 2.37, 5.00 A or (resid 93 and name HE2) (resid 97 and name HD2*) ! 0.1144 1262:20 ----- 3.33, 5.96 A assign (resid 25 and name HB*) (resid 17 and name HD1*) 2.65 0.85 0.85 ! 0.9838 1263:20 Long 2.54, 4.26 A assign (resid 53 and name HD1) (resid 79 and name HD2*) 3.65 1.85 1.85 ! 0.9929 1264:20 Long 2.87, 5.04 A assign (resid 53 and name HD2) (resid 79 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1265:20 Long 2.95, 5.71 A assign (resid 2 and name HB*) (resid 79 and name HD2*) 3.65 1.85 1.85 ! 0.9513 1266:20 Long 4.10, 5.70 A assign (resid 75 and name HB) (resid 75 and name HG2*) 2.30 0.50 0.50 ! 0.9944 1267:20 Intra 2.41, 2.64 A assign (resid 32 and name HB) (resid 32 and name HG1*) 2.30 0.50 0.50 ! 0.0000 1268:20 Intra 2.38, 2.62 A assign (resid 107 and name HB1) (resid 107 and name HD2*) 2.65 0.85 0.85 ! 0.0000 1269:20 Intra 3.66, 3.91 A assign (resid 95 and name HB*) (resid 101 and name HB*) 2.65 0.85 0.85 ! 0.9447 1270:20 Ambig 2.77, 5.03 A or (resid 73 and name HG12) (resid 101 and name HB*) ! 0.0449 1270:20 ----- 4.61, 5.56 A assign (resid 87 and name HB1) (resid 85 and name HB*) 3.65 1.85 1.85 ! 0.0000 1271:20 Mid 3.40, 4.77 A assign (resid 90 and name HB) (resid 85 and name HB*) 3.15 1.35 1.35 ! 0.9886 1272:20 Long 2.43, 3.39 A assign (resid 32 and name HB) (resid 29 and name HG2*) 4.15 2.35 2.35 ! 0.0000 1274:20 Mid 6.06, 7.31 A assign (resid 30 and name HG) (resid 29 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1275:20 Seq 5.76, 6.27 A assign (resid 52 and name HB) (resid 29 and name HG2*) 3.65 1.85 1.85 ! 0.9305 1276:20 Ambig 4.49, 5.82 A or (resid 30 and name HB2) (resid 29 and name HG2*) ! 0.0695 1276:20 ----- 6.92, 7.40 A assign (resid 71 and name HG1) (resid 28 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1277:20 Long 2.11, 4.30 A assign (resid 75 and name HB) (resid 28 and name HG2*) 2.65 0.85 0.85 ! 0.9894 1278:20 Long 2.64, 3.26 A assign (resid 4 and name HB) (resid 83 and name HD1*) 2.30 0.50 0.50 ! 0.9321 1279:20 Ambig 2.18, 2.93 A or (resid 73 and name HG12) (resid 83 and name HD1*) ! 0.0622 1279:20 ----- 3.43, 4.67 A assign (resid 87 and name HB1) (resid 90 and name HG2*) 2.65 0.85 0.85 ! 0.9597 1280:20 Mid 1.97, 2.78 A assign (resid 89 and name HB1) (resid 65 and name HD2*) 2.65 0.85 0.85 ! 0.9810 1281:20 Long 1.88, 3.16 A assign (resid 69 and name HG1) (resid 90 and name HG2*) 2.30 0.50 0.50 ! 0.5353 1282:20 Ambig 2.36, 3.76 A or (resid 90 and name HB) (resid 90 and name HG2*) ! 0.4647 1282:20 ----- 2.42, 2.63 A assign (resid 69 and name HB1) (resid 90 and name HG2*) 2.65 0.85 0.85 ! 0.5531 1283:20 Ambig 2.06, 3.33 A or (resid 69 and name HG2) (resid 90 and name HG2*) ! 0.4414 1283:20 ----- 2.14, 4.51 A assign (resid 65 and name HB1) (resid 65 and name HD2*) 2.65 0.85 0.85 ! 0.5944 1284:20 Ambig 2.41, 3.09 A or (resid 69 and name HG2) (resid 65 and name HD2*) ! 0.3256 1284:20 ----- 2.67, 5.83 A or (resid 93 and name HB2) (resid 65 and name HD2*) ! 0.0597 1284:20 ----- 3.54, 5.56 A assign (resid 15 and name HB2) (resid 108 and name HD2*) 2.65 0.85 0.85 ! 0.7506 1286:20 Ambig 2.91, 4.49 A or (resid 107 and name HB1) (resid 108 and name HD2*) ! 0.1297 1286:20 ----- 3.90, 4.97 A or (resid 15 and name HG2) (resid 108 and name HD2*) ! 0.0611 1286:20 ----- 4.42, 6.01 A or (resid 12 and name HB1) (resid 108 and name HD2*) ! 0.0586 1286:20 ----- 4.45, 6.48 A assign (resid 78 and name HB1) (resid 75 and name HG1*) 3.15 1.35 1.35 ! 0.6008 1287:20 Ambig 3.57, 5.11 A or (resid 78 and name HG2) (resid 75 and name HG1*) ! 0.3026 1287:20 ----- 4.00, 6.45 A or (resid 15 and name HG1) (resid 108 and name HD2*) ! 0.0622 1287:20 ----- 5.20, 6.54 A assign (resid 30 and name HG) (resid 30 and name HD2*) 2.30 0.50 0.50 ! 0.0000 1288:20 Intra 2.42, 2.64 A assign (resid 32 and name HB) (resid 32 and name HG2*) 2.30 0.50 0.50 ! 0.9950 1289:20 Intra 2.42, 2.64 A assign (resid 32 and name HB) (resid 52 and name HG2*) 3.15 1.35 1.35 ! 0.5967 1290:20 Ambig 4.49, 5.36 A or (resid 32 and name HB) (resid 52 and name HG1*) ! 0.3303 1290:20 ----- 4.95, 6.40 A or (resid 1 and name HG1) (resid 3 and name HB*) ! 0.0730 1290:20 ----- 6.37, 7.57 A assign (resid 52 and name HB) (resid 52 and name HG1*) 2.30 0.50 0.50 ! 0.5087 1291:20 Ambig 2.39, 2.62 A or (resid 52 and name HB) (resid 52 and name HG2*) ! 0.4675 1291:20 ----- 2.42, 2.64 A assign (resid 1 and name HE*) (resid 82 and name HD2*) 3.15 1.35 1.35 ! 0.9867 1292:20 Long 2.55, 4.22 A assign (resid 1 and name HG1) (resid 82 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1293:20 Long 5.42, 6.70 A assign (resid 96 and name HG1) (resid 97 and name HD2*) 4.15 2.35 2.35 ! 0.0000 1294:20 Seq 5.90, 6.99 A assign (resid 96 and name HB2) (resid 97 and name HD2*) 3.15 1.35 1.35 ! 0.0000 1295:20 Seq 3.55, 4.67 A assign (resid 48 and name HB2) (resid 17 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1296:20 Long 2.46, 4.28 A assign (resid 78 and name HG2) (resid 79 and name HD2*) 3.15 1.35 1.35 ! 0.8279 1297:20 Ambig 2.57, 5.48 A or (resid 78 and name HB1) (resid 79 and name HD2*) ! 0.1721 1297:20 ----- 3.34, 5.01 A assign (resid 37 and name HD*) (resid 37 and name HG1) 2.30 0.50 0.50 ! 0.0000 1298:20 Intra 2.38, 2.62 A assign (resid 107 and name HG) (resid 107 and name HD2*) 2.30 0.50 0.50 ! 0.9634 1301:20 Intra 2.41, 2.63 A assign (resid 27 and name HG11) (resid 32 and name HG1*) 2.30 0.50 0.50 ! 0.4187 1302:20 Ambig 2.56, 4.04 A or (resid 107 and name HB2) (resid 107 and name HD2*) ! 0.3976 1302:20 ----- 2.58, 3.22 A or (resid 82 and name HG) (resid 107 and name HD2*) ! 0.1255 1302:20 ----- 3.13, 4.37 A or (resid 102 and name HG12) (resid 107 and name HD2*) ! 0.0583 1302:20 ----- 3.56, 4.98 A assign (resid 91 and name HG12) (resid 85 and name HB*) 3.65 1.85 1.85 ! 0.9899 1303:20 Long 2.18, 3.48 A assign (resid 72 and name HB*) (resid 28 and name HG2*) 2.65 0.85 0.85 ! 0.6350 1306:20 Ambig 2.88, 4.49 A or (resid 53 and name HB1) (resid 28 and name HG2*) ! 0.3619 1306:20 ----- 3.16, 4.98 A assign (resid 50 and name HB) (resid 50 and name HG2*) 2.30 0.50 0.50 ! 0.6616 1307:20 Ambig 2.35, 2.63 A or (resid 17 and name HG) (resid 50 and name HG2*) ! 0.3300 1307:20 ----- 2.64, 4.96 A assign (resid 48 and name HB1) (resid 50 and name HG2*) 3.15 1.35 1.35 ! 0.3934 1308:20 Ambig 4.41, 5.87 A or (resid 27 and name HB) (resid 50 and name HG2*) ! 0.3550 1308:20 ----- 4.48, 5.42 A or (resid 48 and name HG1) (resid 50 and name HG2*) ! 0.1101 1308:20 ----- 5.45, 6.92 A or (resid 46 and name HG) (resid 50 and name HG2*) ! 0.0994 1308:20 ----- 5.54, 6.38 A assign (resid 72 and name HB*) (resid 83 and name HD1*) 2.30 0.50 0.50 ! 0.0000 1309:20 Long 2.36, 4.11 A assign (resid 76 and name HB*) (resid 83 and name HD1*) 2.30 0.50 0.50 ! 0.9906 1310:20 Long 2.05, 3.73 A assign (resid 45 and name HB*) (resid 50 and name HG2*) 2.30 0.50 0.50 ! 0.9995 1311:20 Long 1.93, 3.95 A assign (resid 83 and name HG) (resid 83 and name HD1*) 2.30 0.50 0.50 ! 0.8983 1312:20 Ambig 2.40, 2.62 A or (resid 85 and name HB*) (resid 83 and name HD1*) ! 0.0941 1312:20 ----- 3.49, 5.67 A assign (resid 112 and name HB*) (resid 112 and name HD1*) 2.65 0.85 0.85 ! 0.5200 1313:20 Ambig 2.35, 3.13 A or (resid 112 and name HG) (resid 112 and name HD1*) ! 0.4800 1313:20 ----- 2.38, 2.62 A assign (resid 65 and name HG) (resid 65 and name HD2*) 2.30 0.50 0.50 ! 0.9919 1314:20 Intra 2.37, 2.63 A assign (resid 108 and name HG) (resid 108 and name HD2*) 2.30 0.50 0.50 ! 0.9601 1317:20 Intra 2.42, 2.64 A assign (resid 30 and name HB1) (resid 30 and name HD2*) 2.65 0.85 0.85 ! 0.9577 1318:20 Intra 2.43, 3.12 A assign (resid 53 and name HB2) (resid 26 and name HG1*) 2.30 0.50 0.50 ! 0.7202 1319:20 Ambig 2.30, 3.13 A or (resid 76 and name HB*) (resid 4 and name HG1*) ! 0.1777 1319:20 ----- 2.91, 4.83 A or (resid 53 and name HG*) (resid 26 and name HG1*) ! 0.0918 1319:20 ----- 3.24, 4.67 A assign (resid 29 and name HG2*) (resid 32 and name HG2*) 2.65 0.85 0.85 ! 0.5964 1320:20 Ambig 3.65, 5.12 A or (resid 36 and name HG11) (resid 32 and name HG2*) ! 0.2354 1320:20 ----- 4.26, 5.52 A or (resid 42 and name HG12) (resid 32 and name HG2*) ! 0.1298 1320:20 ----- 4.70, 5.21 A assign (resid 23 and name HB1) (resid 3 and name HB*) 2.30 0.50 0.50 ! 0.7194 1321:20 Ambig 2.01, 2.92 A or (resid 51 and name HG12) (resid 26 and name HG2*) ! 0.2423 1321:20 ----- 2.41, 3.58 A assign (resid 29 and name HG2*) (resid 52 and name HG2*) 2.30 0.50 0.50 ! 0.3862 1322:20 Ambig 2.35, 4.96 A or (resid 29 and name HG2*) (resid 52 and name HG1*) ! 0.3620 1322:20 ----- 2.38, 4.98 A or (resid 82 and name HB*) (resid 3 and name HB*) ! 0.2282 1322:20 ----- 2.57, 4.03 A assign (resid 13 and name HB1) (resid 13 and name HD2*) 2.30 0.50 0.50 ! 0.3015 1323:20 Ambig 2.33, 3.02 A or (resid 13 and name HB1) (resid 13 and name HD1*) ! 0.2372 1323:20 ----- 2.43, 3.44 A or (resid 14 and name HG1) (resid 13 and name HD1*) ! 0.2157 1323:20 ----- 2.47, 5.83 A or (resid 14 and name HG1) (resid 13 and name HD2*) ! 0.1501 1323:20 ----- 2.62, 5.92 A or (resid 27 and name HG11) (resid 13 and name HD1*) ! 0.0556 1323:20 ----- 3.09, 6.83 A assign (resid 82 and name HG) (resid 82 and name HD2*) 2.30 0.50 0.50 ! 0.5253 1324:20 Ambig 2.39, 2.62 A or (resid 82 and name HB*) (resid 82 and name HD2*) ! 0.4717 1324:20 ----- 2.43, 3.49 A assign (resid 45 and name HB*) (resid 13 and name HD2*) 2.30 0.50 0.50 ! 0.5021 1325:20 Ambig 2.26, 4.66 A or (resid 45 and name HB*) (resid 13 and name HD1*) ! 0.3887 1325:20 ----- 2.36, 4.64 A or (resid 14 and name HG2) (resid 13 and name HD1*) ! 0.0802 1325:20 ----- 3.07, 6.78 A assign (resid 13 and name HG) (resid 13 and name HD1*) 2.30 0.50 0.50 ! 0.5149 1326:20 Ambig 2.38, 2.63 A or (resid 13 and name HG) (resid 13 and name HD2*) ! 0.4851 1326:20 ----- 2.40, 2.63 A assign (resid 97 and name HG) (resid 97 and name HD2*) 2.30 0.50 0.50 ! 0.4670 1327:20 Ambig 2.41, 2.64 A or (resid 97 and name HB1) (resid 97 and name HD2*) ! 0.3819 1327:20 ----- 2.50, 3.13 A or (resid 93 and name HD1) (resid 97 and name HD2*) ! 0.0507 1327:20 ----- 3.50, 5.99 A or (resid 93 and name HG2) (resid 97 and name HD2*) ! 0.0362 1327:20 ----- 3.70, 6.87 A or (resid 97 and name HB2) (resid 97 and name HD2*) ! 0.0361 1327:20 ----- 3.70, 3.90 A assign (resid 46 and name HG) (resid 46 and name HD2*) 2.30 0.50 0.50 ! 0.5924 1328:20 Ambig 2.43, 2.64 A or (resid 52 and name HB) (resid 46 and name HD2*) ! 0.3930 1328:20 ----- 2.60, 4.34 A assign (resid 17 and name HG) (resid 17 and name HD1*) 2.30 0.50 0.50 ! 0.5432 1329:20 Ambig 2.33, 2.63 A or (resid 17 and name HB2) (resid 17 and name HD1*) ! 0.4568 1329:20 ----- 2.40, 3.13 A assign (resid 50 and name HB) (resid 46 and name HD2*) 2.30 0.50 0.50 ! 0.5900 1330:20 Ambig 2.32, 3.92 A or (resid 46 and name HB1) (resid 46 and name HD2*) ! 0.4062 1330:20 ----- 2.46, 3.10 A assign (resid 45 and name HB*) (resid 17 and name HD1*) 2.65 0.85 0.85 ! 0.5973 1331:20 Ambig 3.40, 6.26 A or (resid 17 and name HB1) (resid 17 and name HD1*) ! 0.4027 1331:20 ----- 3.63, 3.89 A assign (resid 79 and name HG) (resid 79 and name HD2*) 2.30 0.50 0.50 ! 0.9820 1333:20 Intra 2.41, 2.63 A assign (resid 79 and name HB1) (resid 79 and name HD2*) 2.30 0.50 0.50 ! 0.0000 1334:20 Intra 2.43, 3.09 A assign (resid 104 and name HD1*) (resid 12 and name HG1) 3.15 1.35 1.35 ! 0.9459 1337:20 Ambig 2.61, 4.16 A or (resid 36 and name HG2*) (resid 37 and name HG1) ! 0.0400 1337:20 ----- 4.43, 6.87 A assign (resid 102 and name HD1*) (resid 102 and name HG12) 2.30 0.50 0.50 ! 0.9873 1338:20 Intra 2.37, 2.61 A assign (resid 65 and name HD1*) (resid 93 and name HG2) 3.15 1.35 1.35 ! 0.5319 1340:20 Ambig 1.96, 4.31 A or (resid 97 and name HD1*) (resid 93 and name HG2) ! 0.3614 1340:20 ----- 2.09, 6.23 A or (resid 73 and name HD1*) (resid 93 and name HG2) ! 0.0413 1340:20 ----- 3.01, 5.17 A or (resid 62 and name HG1*) (resid 93 and name HG2) ! 0.0350 1340:20 ----- 3.09, 5.80 A assign (resid 52 and name HG1*) (resid 54 and name HB*) 3.65 1.85 1.85 ! 0.6686 1343:20 Ambig 3.62, 6.94 A or (resid 52 and name HG2*) (resid 54 and name HB*) ! 0.3314 1343:20 ----- 4.07, 7.21 A assign (resid 99 and name HG1*) (resid 81 and name HB*) 2.65 0.85 0.85 ! 0.4043 1344:20 Ambig 4.08, 5.90 A or (resid 75 and name HG1*) (resid 81 and name HB*) ! 0.1980 1344:20 ----- 4.60, 6.38 A or (resid 83 and name HD1*) (resid 81 and name HB*) ! 0.1008 1344:20 ----- 5.14, 6.91 A or (resid 4 and name HG1*) (resid 81 and name HB*) ! 0.0969 1344:20 ----- 5.18, 6.37 A or (resid 82 and name HD2*) (resid 81 and name HB*) ! 0.0638 1344:20 ----- 5.55, 7.57 A or (resid 99 and name HG2*) (resid 81 and name HB*) ! 0.0585 1344:20 ----- 5.63, 7.63 A or (resid 26 and name HG1*) (resid 81 and name HB*) ! 0.0453 1344:20 ----- 5.88, 7.19 A assign (resid 79 and name HD2*) (resid 81 and name HB*) 3.15 1.35 1.35 ! 0.0000 1345:20 Mid 4.58, 6.47 A assign (resid 83 and name HB1) (resid 101 and name HB*) 2.65 0.85 0.85 ! 0.6519 1346:20 Ambig 2.02, 2.96 A or (resid 91 and name HG2*) (resid 101 and name HB*) ! 0.3457 1346:20 ----- 2.25, 4.20 A assign (resid 102 and name HD1*) (resid 107 and name HD2*) 2.30 0.50 0.50 ! 0.8087 1347:20 Ambig 1.97, 4.06 A or (resid 84 and name HD1*) (resid 107 and name HD2*) ! 0.1913 1347:20 ----- 2.50, 4.33 A assign (resid 83 and name HD2*) (resid 101 and name HB*) 2.30 0.50 0.50 ! 0.8940 1348:20 Ambig 2.12, 3.88 A or (resid 99 and name HG1*) (resid 101 and name HB*) ! 0.0897 1348:20 ----- 3.11, 5.28 A assign (resid 42 and name HD1*) (resid 32 and name HG1*) 2.30 0.50 0.50 ! 0.6896 1349:20 Ambig 1.94, 4.27 A or (resid 27 and name HD1*) (resid 32 and name HG1*) ! 0.3104 1349:20 ----- 2.22, 5.11 A assign (resid 90 and name HG1*) (resid 85 and name HB*) 2.30 0.50 0.50 ! 0.8837 1350:20 Ambig 2.41, 3.67 A or (resid 83 and name HD1*) (resid 85 and name HB*) ! 0.0958 1350:20 ----- 3.49, 5.67 A assign (resid 32 and name HG2*) (resid 29 and name HG2*) 2.65 0.85 0.85 ! 0.9396 1352:20 Ambig 3.65, 5.12 A or (resid 30 and name HD2*) (resid 29 and name HG2*) ! 0.0604 1352:20 ----- 5.76, 7.44 A assign (resid 52 and name HG2*) (resid 29 and name HG2*) 2.30 0.50 0.50 ! 0.5161 1353:20 Ambig 2.35, 4.96 A or (resid 52 and name HG1*) (resid 29 and name HG2*) ! 0.4839 1353:20 ----- 2.38, 4.98 A assign (resid 75 and name HG1*) (resid 28 and name HG2*) 2.65 0.85 0.85 ! 0.4991 1355:20 Ambig 2.78, 4.74 A or (resid 4 and name HG1*) (resid 28 and name HG2*) ! 0.4048 1355:20 ----- 2.88, 4.08 A or (resid 26 and name HG1*) (resid 28 and name HG2*) ! 0.0906 1355:20 ----- 3.70, 5.58 A assign (resid 83 and name HB1) (resid 83 and name HD1*) 2.65 0.85 0.85 ! 0.7029 1356:20 Ambig 3.63, 3.90 A or (resid 4 and name HG2*) (resid 83 and name HD1*) ! 0.2971 1356:20 ----- 4.19, 5.33 A assign (resid 17 and name HD1*) (resid 50 and name HG2*) 2.30 0.50 0.50 ! 0.0000 1357:20 Long 2.18, 3.61 A assign (resid 79 and name HD2*) (resid 75 and name HG1*) 3.15 1.35 1.35 ! 0.0000 1360:20 Mid 4.00, 5.40 A assign (resid 27 and name HD1*) (resid 32 and name HG2*) 3.15 1.35 1.35 ! 0.8243 1361:20 Ambig 4.18, 7.06 A or (resid 42 and name HD1*) (resid 32 and name HG2*) ! 0.1757 1361:20 ----- 5.41, 6.85 A assign (resid 79 and name HD2*) (resid 26 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1362:20 Long 4.37, 6.43 A assign (resid 5 and name HG2*) (resid 13 and name HD2*) 2.30 0.50 0.50 ! 0.4429 1363:20 Ambig 2.07, 4.67 A or (resid 5 and name HG2*) (resid 13 and name HD1*) ! 0.3378 1363:20 ----- 2.16, 4.78 A or (resid 50 and name HG2*) (resid 13 and name HD2*) ! 0.1964 1363:20 ----- 2.36, 6.35 A assign (resid 50 and name HG2*) (resid 17 and name HD1*) 2.30 0.50 0.50 ! 0.0000 1365:20 Long 2.18, 3.61 A assign (resid 79 and name HD1*) (resid 81 and name HB*) 2.65 0.85 0.85 ! 0.0000 1367:20 Mid 2.94, 4.57 A assign (resid 16 and name HG2*) (resid 107 and name HD2*) 3.15 1.35 1.35 ! 0.0000 1368:20 Long 4.93, 6.20 A assign (resid 79 and name HD1*) (resid 75 and name HG1*) 2.30 0.50 0.50 ! 0.6159 1371:20 Ambig 2.31, 3.69 A or (resid 16 and name HG2*) (resid 108 and name HD2*) ! 0.3841 1371:20 ----- 2.49, 4.33 A assign (resid 79 and name HD1*) (resid 26 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1372:20 Long 2.30, 3.99 A assign (resid 4 and name HN) (resid 76 and name HB*) 3.65 1.85 1.85 ! 0.0000 1374:20 Long 4.00, 4.79 A assign (resid 4 and name HN) (resid 4 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1375:20 Intra 2.35, 3.31 A assign (resid 105 and name HN) (resid 104 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1376:20 Seq 3.19, 4.16 A assign (resid 9 and name HN) (resid 9 and name HB*) 2.65 0.85 0.85 ! 0.9797 1377:20 Intra 2.30, 2.98 A assign (resid 35 and name HN) (resid 35 and name HB*) 2.65 0.85 0.85 ! 0.0000 1378:20 Intra 2.40, 2.89 A assign (resid 77 and name HN) (resid 76 and name HB*) 2.65 0.85 0.85 ! 0.9763 1379:20 Seq 2.59, 3.53 A assign (resid 28 and name HN) (resid 27 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1380:20 Seq 3.29, 4.45 A assign (resid 27 and name HN) (resid 27 and name HG2*) 3.15 1.35 1.35 ! 0.9976 1381:20 Intra 2.14, 3.12 A assign (resid 26 and name HN) (resid 4 and name HG2*) 3.15 1.35 1.35 ! 0.8843 1382:20 Ambig 3.98, 4.90 A or (resid 84 and name HN) (resid 4 and name HG2*) ! 0.1157 1382:20 ----- 5.59, 6.33 A assign (resid 5 and name HN) (resid 4 and name HG2*) 3.15 1.35 1.35 ! 0.8005 1383:20 Ambig 4.30, 4.94 A or (resid 27 and name HN) (resid 4 and name HG2*) ! 0.1995 1383:20 ----- 5.42, 6.63 A assign (resid 81 and name HN) (resid 4 and name HG2*) 3.15 1.35 1.35 ! 0.4274 1384:20 Ambig 4.50, 5.32 A or (resid 77 and name HN) (resid 4 and name HG2*) ! 0.2551 1384:20 ----- 4.91, 6.02 A or (resid 75 and name HN) (resid 4 and name HG2*) ! 0.2166 1384:20 ----- 5.04, 6.20 A or (resid 78 and name HN) (resid 4 and name HG2*) ! 0.1009 1384:20 ----- 5.73, 6.89 A assign (resid 84 and name HN) (resid 5 and name HG2*) 3.65 1.85 1.85 ! 0.6666 1385:20 Ambig 4.78, 6.00 A or (resid 11 and name HN) (resid 5 and name HG2*) ! 0.2440 1385:20 ----- 5.65, 6.66 A or (resid 26 and name HN) (resid 5 and name HG2*) ! 0.0894 1385:20 ----- 6.67, 7.07 A assign (resid 9 and name HN) (resid 5 and name HG2*) 2.65 0.85 0.85 ! 0.6106 1386:20 Ambig 3.79, 4.58 A or (resid 5 and name HN) (resid 5 and name HG2*) ! 0.2623 1386:20 ----- 4.36, 4.56 A or (resid 8 and name HN) (resid 5 and name HG2*) ! 0.1114 1386:20 ----- 5.03, 6.41 A assign (resid 6 and name HN) (resid 5 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1387:20 Seq 2.83, 3.64 A assign (resid 84 and name HN) (resid 84 and name HG2*) 3.15 1.35 1.35 ! 0.6285 1388:20 Ambig 4.36, 4.59 A or (resid 102 and name HN) (resid 84 and name HG2*) ! 0.3715 1388:20 ----- 4.76, 5.90 A assign (resid 35 and name HN) (resid 42 and name HG2*) 3.15 1.35 1.35 ! 0.5859 1389:20 Ambig 4.74, 6.04 A or (resid 9 and name HN) (resid 84 and name HG2*) ! 0.3333 1389:20 ----- 5.21, 6.66 A or (resid 5 and name HN) (resid 84 and name HG2*) ! 0.0808 1389:20 ----- 6.60, 7.42 A assign (resid 102 and name HN) (resid 102 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1390:20 Intra 3.44, 4.29 A assign (resid 25 and name HN) (resid 51 and name HG2*) 3.65 1.85 1.85 ! 0.7038 1391:20 Ambig 5.36, 6.68 A or (resid 27 and name HN) (resid 51 and name HG2*) ! 0.2962 1391:20 ----- 6.19, 6.68 A assign (resid 77 and name HN) (resid 73 and name HG2*) 3.15 1.35 1.35 ! 0.9182 1392:20 Ambig 4.17, 5.12 A or (resid 78 and name HN) (resid 73 and name HG2*) ! 0.0818 1392:20 ----- 6.25, 7.29 A assign (resid 6 and name HN) (resid 9 and name HB*) 3.15 1.35 1.35 ! 0.8514 1393:20 Ambig 2.80, 3.66 A or (resid 85 and name HN) (resid 9 and name HB*) ! 0.1486 1393:20 ----- 3.74, 4.85 A assign (resid 10 and name HN) (resid 9 and name HB*) 3.15 1.35 1.35 ! 0.0000 1394:20 Seq 3.45, 4.18 A assign (resid 110 and name HN) (resid 109 and name HB*) 3.15 1.35 1.35 ! 0.9806 1395:20 Seq 2.45, 3.76 A assign (resid 36 and name HN) (resid 35 and name HB*) 2.65 0.85 0.85 ! 0.0000 1396:20 Seq 2.43, 3.37 A assign (resid 40 and name HN) (resid 35 and name HB*) 3.15 1.35 1.35 ! 0.8732 1397:20 Ambig 3.41, 4.50 A or (resid 34 and name HN) (resid 35 and name HB*) ! 0.1268 1397:20 ----- 4.71, 5.32 A assign (resid 83 and name HN) (resid 76 and name HB*) 3.65 1.85 1.85 ! 0.0000 1398:20 Long 4.06, 5.16 A assign (resid 42 and name HN) (resid 35 and name HB*) 3.65 1.85 1.85 ! 0.0000 1399:20 Long 3.12, 4.69 A assign (resid 73 and name HN) (resid 76 and name HB*) 3.65 1.85 1.85 ! 0.5403 1400:20 Ambig 4.96, 5.76 A or (resid 80 and name HN) (resid 76 and name HB*) ! 0.4597 1400:20 ----- 5.09, 5.78 A assign (resid 76 and name HN) (resid 76 and name HB*) 2.65 0.85 0.85 ! 0.9867 1401:20 Intra 2.49, 2.89 A assign (resid 94 and name HN) (resid 94 and name HB*) 2.30 0.50 0.50 ! 0.5133 1402:20 Ambig 2.45, 2.87 A or (resid 95 and name HN) (resid 94 and name HB*) ! 0.4819 1402:20 ----- 2.48, 3.46 A assign (resid 99 and name HN) (resid 94 and name HB*) 3.15 1.35 1.35 ! 0.9396 1403:20 Ambig 4.08, 5.05 A or (resid 76 and name HN) (resid 94 and name HB*) ! 0.0604 1403:20 ----- 6.45, 7.41 A assign (resid 73 and name HN) (resid 94 and name HB*) 3.65 1.85 1.85 ! 0.0000 1404:20 Long 5.36, 6.43 A assign (resid 32 and name HN) (resid 27 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1405:20 Long 3.55, 4.89 A assign (resid 46 and name HN) (resid 45 and name HB*) 2.65 0.85 0.85 ! 0.0000 1406:20 Seq 2.30, 3.21 A assign (resid 76 and name HN) (resid 4 and name HG2*) 3.65 1.85 1.85 ! 0.9223 1407:20 Ambig 3.01, 4.23 A or (resid 79 and name HN) (resid 4 and name HG2*) ! 0.0777 1407:20 ----- 4.54, 5.64 A assign (resid 73 and name HN) (resid 90 and name HG1*) 3.15 1.35 1.35 ! 0.6698 1408:20 Ambig 4.19, 5.34 A or (resid 80 and name HN) (resid 99 and name HG1*) ! 0.2806 1408:20 ----- 4.85, 6.17 A assign (resid 62 and name HN) (resid 62 and name HG2*) 2.65 0.85 0.85 ! 0.8822 1409:20 Ambig 1.86, 3.12 A or (resid 62 and name HN) (resid 62 and name HG1*) ! 0.1178 1409:20 ----- 2.60, 4.09 A assign (resid 43 and name HN) (resid 42 and name HG2*) 2.65 0.85 0.85 ! 0.8216 1410:20 Ambig 2.37, 3.28 A or (resid 85 and name HN) (resid 84 and name HG2*) ! 0.1741 1410:20 ----- 3.07, 3.81 A assign (resid 42 and name HN) (resid 42 and name HG2*) 2.30 0.50 0.50 ! 0.9965 1411:20 Intra 1.95, 2.96 A assign (resid 83 and name HN) (resid 102 and name HG2*) 3.65 1.85 1.85 ! 0.6761 1412:20 Ambig 5.36, 6.69 A or (resid 85 and name HN) (resid 102 and name HG2*) ! 0.2005 1412:20 ----- 6.56, 7.21 A or (resid 85 and name HN) (resid 104 and name HG2*) ! 0.1234 1412:20 ----- 7.11, 7.77 A assign (resid 16 and name HN) (resid 104 and name HG2*) 3.15 1.35 1.35 ! 0.6303 1413:20 Ambig 3.89, 4.83 A or (resid 104 and name HN) (resid 104 and name HG2*) ! 0.3697 1413:20 ----- 4.25, 4.50 A assign (resid 52 and name HN) (resid 51 and name HG2*) 3.15 1.35 1.35 ! 0.9786 1414:20 Seq 3.83, 4.50 A assign (resid 108 and name HN) (resid 104 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1415:20 Mid 4.02, 4.81 A assign (resid 73 and name HN) (resid 73 and name HG2*) 3.15 1.35 1.35 ! 0.8572 1416:20 Ambig 4.38, 4.56 A or (resid 37 and name HN) (resid 42 and name HG2*) ! 0.1428 1416:20 ----- 5.90, 7.28 A assign (resid 36 and name HN) (resid 36 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1417:20 Intra 4.40, 4.57 A assign (resid 16 and name HN) (resid 16 and name HG2*) 2.65 0.85 0.85 ! 0.9815 1418:20 Intra 2.20, 3.24 A assign (resid 86 and name HN) (resid 9 and name HB*) 3.15 1.35 1.35 ! 0.0000 1419:20 Long 2.06, 4.07 A assign (resid 109 and name HN) (resid 109 and name HB*) 2.30 0.50 0.50 ! 0.0000 1420:20 Intra 2.48, 2.91 A assign (resid 38 and name HN) (resid 35 and name HB*) 3.65 1.85 1.85 ! 0.0000 1421:20 Mid 5.13, 5.59 A assign (resid 10 and name HE*) (resid 35 and name HB*) 2.65 0.85 0.85 ! 0.0000 1422:20 Long 1.92, 4.74 A assign (resid 98 and name HN) (resid 94 and name HB*) 3.65 1.85 1.85 ! 0.8018 1423:20 Ambig 5.43, 6.31 A or (resid 90 and name HN) (resid 94 and name HB*) ! 0.1982 1423:20 ----- 6.86, 7.68 A assign (resid 97 and name HN) (resid 94 and name HB*) 3.65 1.85 1.85 ! 0.0000 1424:20 Mid 4.98, 5.37 A assign (resid 50 and name HN) (resid 45 and name HB*) 3.65 1.85 1.85 ! 0.7687 1425:20 Ambig 4.13, 5.12 A or (resid 10 and name HE*) (resid 45 and name HB*) ! 0.2313 1425:20 ----- 5.04, 7.85 A assign (resid 10 and name HE*) (resid 27 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1426:20 Long 5.29, 7.12 A assign (resid 48 and name HN) (resid 45 and name HB*) 3.65 1.85 1.85 ! 0.0000 1427:20 Mid 5.18, 5.51 A assign (resid 90 and name HN) (resid 90 and name HG1*) 3.15 1.35 1.35 ! 0.0000 1428:20 Intra 4.44, 4.58 A assign (resid 91 and name HN) (resid 90 and name HG1*) 3.15 1.35 1.35 ! 0.4272 1429:20 Ambig 3.35, 4.20 A or (resid 67 and name HE21) (resid 62 and name HG2*) ! 0.2948 1429:20 ----- 3.56, 7.69 A or (resid 64 and name HD21) (resid 62 and name HG1*) ! 0.2495 1429:20 ----- 3.66, 7.07 A assign (resid 10 and name HE*) (resid 5 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1430:20 Long 2.07, 5.12 A assign (resid 25 and name HD*) (resid 5 and name HG2*) 4.15 2.35 2.35 ! 0.8529 1431:20 Ambig 4.69, 7.80 A or (resid 86 and name HN) (resid 5 and name HG2*) ! 0.1471 1431:20 ----- 6.28, 7.33 A assign (resid 107 and name HN) (resid 84 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1432:20 Long 4.59, 5.74 A assign (resid 106 and name HN) (resid 84 and name HG2*) 4.15 2.35 2.35 ! 0.0000 1433:20 Long 5.72, 7.01 A assign (resid 100 and name HD21) (resid 102 and name HG2*) 3.15 1.35 1.35 ! 0.8617 1434:20 Ambig 3.44, 5.21 A or (resid 107 and name HN) (resid 104 and name HG2*) ! 0.0919 1434:20 ----- 4.99, 5.60 A assign (resid 97 and name HN) (resid 73 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1436:20 Long 5.11, 5.85 A assign (resid 101 and name HN) (resid 102 and name HG2*) 3.15 1.35 1.35 ! 0.8031 1437:20 Ambig 4.00, 5.25 A or (resid 13 and name HN) (resid 104 and name HG2*) ! 0.1179 1437:20 ----- 5.50, 6.98 A or (resid 106 and name HN) (resid 102 and name HG2*) ! 0.0790 1437:20 ----- 5.88, 6.82 A assign (resid 13 and name HN) (resid 16 and name HG2*) 3.65 1.85 1.85 ! 0.7391 1438:20 Ambig 5.36, 6.58 A or (resid 106 and name HN) (resid 16 and name HG2*) ! 0.2609 1438:20 ----- 6.38, 7.26 A assign (resid 10 and name HD*) (resid 9 and name HB*) 3.65 1.85 1.85 ! 0.0000 1439:20 Seq 3.44, 6.36 A assign (resid 10 and name HD*) (resid 35 and name HB*) 3.15 1.35 1.35 ! 0.9960 1440:20 Long 2.85, 5.39 A assign (resid 10 and name HZ) (resid 35 and name HB*) 3.65 1.85 1.85 ! 0.6035 1441:20 Ambig 3.16, 4.60 A or (resid 34 and name HD*) (resid 35 and name HB*) ! 0.3965 1441:20 ----- 3.39, 6.45 A assign (resid 45 and name HN) (resid 45 and name HB*) 2.65 0.85 0.85 ! 0.0000 1442:20 Intra 2.43, 2.89 A assign (resid 69 and name HN) (resid 90 and name HG1*) 4.15 2.35 2.35 ! 0.0000 1444:20 Long 5.80, 6.84 A assign (resid 87 and name HN) (resid 90 and name HG1*) 3.65 1.85 1.85 ! 0.0000 1445:20 Mid 4.42, 5.37 A assign (resid 10 and name HD*) (resid 5 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1446:20 Long 2.42, 5.25 A assign (resid 45 and name HN) (resid 42 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1447:20 Mid 5.29, 6.12 A assign (resid 101 and name HA) (resid 102 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1448:20 Seq 4.15, 5.26 A assign (resid 83 and name HA) (resid 76 and name HB*) 3.65 1.85 1.85 ! 0.0000 1449:20 Long 3.47, 4.17 A assign (resid 52 and name HA) (resid 27 and name HG2*) 3.65 1.85 1.85 ! 0.9240 1450:20 Ambig 2.48, 3.18 A or (resid 26 and name HA) (resid 27 and name HG2*) ! 0.0760 1450:20 ----- 3.76, 4.94 A assign (resid 83 and name HA) (resid 4 and name HG2*) 3.15 1.35 1.35 ! 0.6652 1451:20 Ambig 4.38, 5.12 A or (resid 26 and name HA) (resid 4 and name HG2*) ! 0.3348 1451:20 ----- 4.91, 6.00 A assign (resid 3 and name HA) (resid 4 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1452:20 Seq 3.63, 4.72 A assign (resid 83 and name HA) (resid 99 and name HG1*) 3.65 1.85 1.85 ! 0.0000 1454:20 Long 4.58, 5.08 A assign (resid 103 and name HA) (resid 84 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1455:20 Long 4.20, 5.24 A assign (resid 83 and name HA) (resid 84 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1456:20 Seq 6.25, 6.49 A assign (resid 103 and name HA) (resid 102 and name HG2*) 3.65 1.85 1.85 ! 0.5593 1457:20 Ambig 6.22, 6.81 A or (resid 103 and name HA) (resid 104 and name HG2*) ! 0.4407 1457:20 ----- 6.47, 6.69 A assign (resid 26 and name HA) (resid 51 and name HG2*) 3.15 1.35 1.35 ! 0.8292 1458:20 Ambig 4.81, 5.59 A or (resid 52 and name HA) (resid 51 and name HG2*) ! 0.1708 1458:20 ----- 6.25, 6.62 A assign (resid 102 and name HA) (resid 102 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1459:20 Intra 2.40, 2.98 A assign (resid 9 and name HA) (resid 9 and name HB*) 2.30 0.50 0.50 ! 0.0000 1460:20 Intra 2.38, 2.64 A assign (resid 85 and name HA) (resid 9 and name HB*) 3.15 1.35 1.35 ! 0.0000 1461:20 Long 1.87, 3.17 A assign (resid 6 and name HB2) (resid 9 and name HB*) 3.15 1.35 1.35 ! 0.9583 1462:20 Mid 3.22, 4.73 A assign (resid 109 and name HA) (resid 109 and name HB*) 2.30 0.50 0.50 ! 0.0000 1463:20 Intra 2.42, 2.64 A assign (resid 77 and name HA) (resid 76 and name HB*) 3.15 1.35 1.35 ! 0.8766 1464:20 Ambig 4.23, 4.91 A or (resid 6 and name HB2) (resid 76 and name HB*) ! 0.1234 1464:20 ----- 5.87, 7.72 A assign (resid 95 and name HA) (resid 94 and name HB*) 3.15 1.35 1.35 ! 0.9261 1465:20 Ambig 4.07, 4.76 A or (resid 74 and name HA) (resid 94 and name HB*) ! 0.0390 1465:20 ----- 6.90, 7.77 A assign (resid 46 and name HA) (resid 45 and name HB*) 3.15 1.35 1.35 ! 0.0000 1467:20 Seq 4.21, 4.78 A assign (resid 46 and name HA) (resid 27 and name HG2*) 4.15 2.35 2.35 ! 0.7405 1468:20 Ambig 4.96, 5.82 A or (resid 31 and name HA2) (resid 27 and name HG2*) ! 0.2595 1468:20 ----- 5.91, 7.17 A assign (resid 85 and name HA) (resid 90 and name HG1*) 3.65 1.85 1.85 ! 0.5931 1469:20 Ambig 4.28, 5.39 A or (resid 6 and name HA) (resid 90 and name HG1*) ! 0.3735 1469:20 ----- 4.63, 5.87 A assign (resid 77 and name HA) (resid 99 and name HG1*) 3.15 1.35 1.35 ! 0.0000 1470:20 Long 3.63, 4.56 A assign (resid 5 and name HA) (resid 5 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1472:20 Intra 2.48, 3.10 A assign (resid 6 and name HB2) (resid 5 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1473:20 Seq 4.65, 5.74 A assign (resid 43 and name HA) (resid 42 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1475:20 Seq 3.30, 4.45 A assign (resid 51 and name HA) (resid 51 and name HG2*) 2.30 0.50 0.50 ! 0.9934 1476:20 Intra 2.42, 3.03 A assign (resid 108 and name HA) (resid 104 and name HG2*) 3.65 1.85 1.85 ! 0.3046 1477:20 Ambig 5.28, 6.25 A or (resid 107 and name HA) (resid 102 and name HG2*) ! 0.2755 1477:20 ----- 5.37, 6.54 A or (resid 106 and name HA) (resid 102 and name HG2*) ! 0.2099 1477:20 ----- 5.62, 6.77 A or (resid 19 and name HB2) (resid 104 and name HG2*) ! 0.1132 1477:20 ----- 6.23, 7.68 A or (resid 107 and name HA) (resid 104 and name HG2*) ! 0.0967 1477:20 ----- 6.40, 7.37 A assign (resid 6 and name HB1) (resid 9 and name HB1) 4.15 2.35 2.35 ! 0.9598 1478:20 Ambig 2.92, 5.05 A or (resid 8 and name HB1) (resid 9 and name HB1) ! 0.0000 1478:20 ----- 0.00, 0.00 A assign (resid 110 and name HB*) (resid 109 and name HB*) 3.15 1.35 1.35 ! 0.7623 1479:20 Ambig 3.79, 6.05 A or (resid 105 and name HA) (resid 109 and name HB*) ! 0.2105 1479:20 ----- 4.69, 5.87 A assign (resid 42 and name HA) (resid 35 and name HB*) 3.15 1.35 1.35 ! 0.9671 1480:20 Long 3.91, 4.61 A assign (resid 35 and name HA) (resid 35 and name HB*) 2.30 0.50 0.50 ! 0.9946 1481:20 Intra 2.40, 2.63 A assign (resid 32 and name HA) (resid 35 and name HB*) 2.65 0.85 0.85 ! 0.9692 1482:20 Mid 2.44, 3.51 A assign (resid 73 and name HA) (resid 76 and name HB*) 3.15 1.35 1.35 ! 0.0000 1483:20 Mid 2.36, 3.54 A assign (resid 76 and name HA) (resid 76 and name HB*) 2.65 0.85 0.85 ! 0.9876 1484:20 Intra 2.42, 2.63 A assign (resid 94 and name HA) (resid 94 and name HB*) 2.30 0.50 0.50 ! 0.9951 1485:20 Intra 2.41, 2.62 A assign (resid 73 and name HA) (resid 94 and name HB*) 3.15 1.35 1.35 ! 0.8113 1486:20 Ambig 3.45, 4.40 A or (resid 90 and name HA) (resid 94 and name HB*) ! 0.1887 1486:20 ----- 4.40, 5.66 A assign (resid 45 and name HA) (resid 45 and name HB*) 2.30 0.50 0.50 ! 0.0000 1487:20 Intra 2.43, 2.65 A assign (resid 31 and name HA1) (resid 27 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1488:20 Mid 4.25, 5.57 A assign (resid 44 and name HB*) (resid 45 and name HB*) 3.65 1.85 1.85 ! 0.5303 1489:20 Ambig 3.81, 5.63 A or (resid 14 and name HA) (resid 45 and name HB*) ! 0.3592 1489:20 ----- 4.07, 6.36 A or (resid 13 and name HA) (resid 45 and name HB*) ! 0.0832 1489:20 ----- 5.19, 6.56 A assign (resid 32 and name HA) (resid 27 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1490:20 Long 4.47, 5.24 A assign (resid 76 and name HA) (resid 4 and name HG2*) 2.65 0.85 0.85 ! 0.9882 1491:20 Long 2.05, 2.98 A assign (resid 62 and name HA) (resid 62 and name HG1*) 2.30 0.50 0.50 ! 0.3822 1492:20 Ambig 2.40, 3.07 A or (resid 99 and name HA) (resid 99 and name HG1*) ! 0.2829 1492:20 ----- 2.53, 3.13 A or (resid 62 and name HA) (resid 62 and name HG2*) ! 0.2297 1492:20 ----- 2.62, 3.75 A or (resid 67 and name HA) (resid 62 and name HG1*) ! 0.0725 1492:20 ----- 3.17, 6.99 A assign (resid 42 and name HA) (resid 42 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1494:20 Intra 3.72, 3.94 A assign (resid 104 and name HA) (resid 84 and name HG2*) 2.65 0.85 0.85 ! 0.6945 1495:20 Ambig 2.59, 3.37 A or (resid 32 and name HA) (resid 42 and name HG2*) ! 0.3055 1495:20 ----- 2.97, 4.76 A assign (resid 103 and name HD2) (resid 102 and name HG2*) 3.15 1.35 1.35 ! 0.9917 1496:20 Seq 2.75, 3.91 A assign (resid 94 and name HA) (resid 73 and name HG2*) 2.30 0.50 0.50 ! 0.8213 1497:20 Ambig 2.27, 3.01 A or (resid 36 and name HA) (resid 42 and name HG2*) ! 0.1447 1497:20 ----- 3.03, 4.58 A assign (resid 103 and name HD1) (resid 102 and name HG2*) 3.15 1.35 1.35 ! 0.9492 1498:20 Ambig 2.99, 4.25 A or (resid 13 and name HA) (resid 104 and name HG2*) ! 0.0508 1498:20 ----- 4.87, 6.44 A assign (resid 104 and name HA) (resid 104 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1499:20 Intra 2.60, 3.31 A assign (resid 73 and name HA) (resid 73 and name HG2*) 2.65 0.85 0.85 ! 0.9838 1500:20 Intra 2.56, 3.18 A assign (resid 13 and name HA) (resid 16 and name HG2*) 3.15 1.35 1.35 ! 0.9485 1501:20 Ambig 3.54, 4.90 A or (resid 17 and name HA) (resid 16 and name HG2*) ! 0.0300 1501:20 ----- 6.30, 6.51 A assign (resid 91 and name HA) (resid 94 and name HB*) 3.15 1.35 1.35 ! 0.0000 1502:20 Mid 2.94, 4.02 A assign (resid 90 and name HA) (resid 90 and name HG1*) 2.65 0.85 0.85 ! 0.9363 1503:20 Ambig 2.52, 3.18 A or (resid 90 and name HA) (resid 62 and name HG1*) ! 0.0299 1503:20 ----- 4.47, 7.65 A assign (resid 93 and name HE1) (resid 62 and name HG1*) 3.65 1.85 1.85 ! 0.4682 1504:20 Ambig 2.11, 5.09 A or (resid 93 and name HE2) (resid 62 and name HG2*) ! 0.3020 1504:20 ----- 2.27, 5.76 A or (resid 93 and name HE2) (resid 62 and name HG1*) ! 0.2195 1504:20 ----- 2.39, 4.49 A assign (resid 43 and name HB2) (resid 42 and name HG2*) 3.65 1.85 1.85 ! 0.5031 1505:20 Ambig 3.38, 5.06 A or (resid 43 and name HB1) (resid 42 and name HG2*) ! 0.4645 1505:20 ----- 3.43, 5.54 A assign (resid 77 and name HB1) (resid 73 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1507:20 Mid 4.19, 5.39 A assign (resid 12 and name HE*) (resid 104 and name HG2*) 3.15 1.35 1.35 ! 0.9943 1508:20 Long 2.02, 4.14 A assign (resid 24 and name HE*) (resid 51 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1509:20 Long 2.07, 4.11 A assign (resid 16 and name HA) (resid 16 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1510:20 Intra 2.33, 3.01 A assign (resid 86 and name HG1) (resid 9 and name HB*) 3.15 1.35 1.35 ! 0.9739 1511:20 Long 2.76, 4.85 A assign (resid 5 and name HG12) (resid 9 and name HB*) 3.15 1.35 1.35 ! 0.4104 1512:20 Ambig 4.53, 5.67 A or (resid 5 and name HB) (resid 9 and name HB*) ! 0.3320 1512:20 ----- 4.69, 5.86 A or (resid 86 and name HB1) (resid 9 and name HB*) ! 0.2576 1512:20 ----- 4.89, 6.32 A assign (resid 106 and name HG1) (resid 109 and name HB*) 3.15 1.35 1.35 ! 0.6245 1513:20 Ambig 3.11, 5.97 A or (resid 105 and name HG2) (resid 109 and name HB*) ! 0.2289 1513:20 ----- 3.68, 7.39 A or (resid 106 and name HG2) (resid 109 and name HB*) ! 0.1466 1513:20 ----- 3.96, 5.88 A assign (resid 106 and name HB1) (resid 109 and name HB*) 3.15 1.35 1.35 ! 0.4175 1514:20 Ambig 4.01, 5.62 A or (resid 105 and name HB1) (resid 109 and name HB*) ! 0.4095 1514:20 ----- 4.03, 5.68 A or (resid 106 and name HB2) (resid 109 and name HB*) ! 0.1730 1514:20 ----- 4.65, 6.05 A assign (resid 4 and name HB) (resid 76 and name HB*) 2.65 0.85 0.85 ! 0.9809 1515:20 Long 2.02, 3.17 A assign (resid 99 and name HB) (resid 94 and name HB*) 2.30 0.50 0.50 ! 0.6249 1516:20 Ambig 2.01, 3.23 A or (resid 73 and name HG12) (resid 94 and name HB*) ! 0.3632 1516:20 ----- 2.20, 3.36 A assign (resid 5 and name HB) (resid 27 and name HG2*) 3.65 1.85 1.85 ! 0.4760 1517:20 Ambig 5.31, 5.72 A or (resid 5 and name HG12) (resid 27 and name HG2*) ! 0.3094 1517:20 ----- 5.71, 7.59 A or (resid 46 and name HB2) (resid 27 and name HG2*) ! 0.2145 1517:20 ----- 6.07, 7.22 A assign (resid 87 and name HB1) (resid 90 and name HG1*) 3.65 1.85 1.85 ! 0.9411 1518:20 Ambig 3.80, 4.60 A or (resid 89 and name HB1) (resid 90 and name HG1*) ! 0.0589 1518:20 ----- 6.03, 6.88 A assign (resid 90 and name HB) (resid 90 and name HG1*) 2.65 0.85 0.85 ! 0.0000 1519:20 Intra 2.42, 2.64 A assign (resid 4 and name HB) (resid 4 and name HG2*) 2.30 0.50 0.50 ! 0.9961 1520:20 Intra 2.43, 2.64 A assign (resid 74 and name HG2) (resid 62 and name HG2*) 3.65 1.85 1.85 ! 0.5824 1521:20 Ambig 3.83, 7.33 A or (resid 67 and name HG2) (resid 62 and name HG2*) ! 0.3065 1521:20 ----- 4.26, 6.88 A or (resid 74 and name HG2) (resid 62 and name HG1*) ! 0.1112 1521:20 ----- 5.05, 7.47 A assign (resid 62 and name HB) (resid 62 and name HG2*) 2.30 0.50 0.50 ! 0.5042 1522:20 Ambig 2.40, 2.64 A or (resid 62 and name HB) (resid 62 and name HG1*) ! 0.4958 1522:20 ----- 2.41, 2.63 A assign (resid 107 and name HB1) (resid 84 and name HG2*) 3.15 1.35 1.35 ! 0.8457 1524:20 Ambig 3.43, 4.40 A or (resid 86 and name HG1) (resid 84 and name HG2*) ! 0.1016 1524:20 ----- 4.89, 6.67 A or (resid 106 and name HB2) (resid 84 and name HG2*) ! 0.0323 1524:20 ----- 5.92, 7.74 A assign (resid 74 and name HG2) (resid 73 and name HG2*) 3.15 1.35 1.35 ! 0.9745 1525:20 Seq 3.42, 4.76 A assign (resid 12 and name HB1) (resid 104 and name HG2*) 2.65 0.85 0.85 ! 0.6392 1526:20 Ambig 2.14, 3.50 A or (resid 106 and name HG2) (resid 102 and name HG2*) ! 0.2579 1526:20 ----- 2.49, 5.00 A or (resid 15 and name HB2) (resid 104 and name HG2*) ! 0.0517 1526:20 ----- 3.26, 4.34 A or (resid 107 and name HB1) (resid 104 and name HG2*) ! 0.0412 1526:20 ----- 3.38, 4.50 A assign (resid 51 and name HB) (resid 51 and name HG2*) 2.30 0.50 0.50 ! 0.9970 1527:20 Intra 2.38, 2.63 A assign (resid 102 and name HB) (resid 102 and name HG2*) 2.30 0.50 0.50 ! 0.9303 1528:20 Ambig 2.36, 2.61 A or (resid 15 and name HB1) (resid 104 and name HG2*) ! 0.0332 1528:20 ----- 4.11, 5.09 A assign (resid 107 and name HB1) (resid 16 and name HG2*) 3.65 1.85 1.85 ! 0.6838 1529:20 Ambig 2.47, 3.72 A or (resid 15 and name HB2) (resid 16 and name HG2*) ! 0.2040 1529:20 ----- 3.02, 4.40 A or (resid 12 and name HB1) (resid 16 and name HG2*) ! 0.1074 1529:20 ----- 3.36, 4.78 A assign (resid 42 and name HG11) (resid 35 and name HB*) 3.15 1.35 1.35 ! 0.7351 1530:20 Ambig 4.23, 5.02 A or (resid 36 and name HG11) (resid 35 and name HB*) ! 0.2649 1530:20 ----- 5.01, 6.28 A assign (resid 83 and name HG) (resid 76 and name HB*) 3.15 1.35 1.35 ! 0.7120 1531:20 Ambig 4.77, 5.18 A or (resid 28 and name HG2*) (resid 76 and name HB*) ! 0.1676 1531:20 ----- 6.07, 7.51 A or (resid 75 and name HG2*) (resid 76 and name HB*) ! 0.1203 1531:20 ----- 6.42, 7.49 A assign (resid 46 and name HG) (resid 45 and name HB*) 2.65 0.85 0.85 ! 0.8690 1532:20 Ambig 3.14, 4.25 A or (resid 27 and name HB) (resid 45 and name HB*) ! 0.1167 1532:20 ----- 4.39, 5.62 A assign (resid 27 and name HB) (resid 27 and name HG2*) 2.65 0.85 0.85 ! 0.6135 1533:20 Ambig 2.35, 2.62 A or (resid 52 and name HB) (resid 27 and name HG2*) ! 0.3480 1533:20 ----- 2.58, 4.16 A assign (resid 50 and name HB) (resid 45 and name HB*) 2.30 0.50 0.50 ! 0.9847 1534:20 Long 2.24, 3.48 A assign (resid 79 and name HG) (resid 4 and name HG2*) 3.15 1.35 1.35 ! 0.5651 1536:20 Ambig 4.15, 4.98 A or (resid 53 and name HB1) (resid 4 and name HG2*) ! 0.2945 1536:20 ----- 4.62, 5.93 A or (resid 72 and name HB*) (resid 4 and name HG2*) ! 0.1088 1536:20 ----- 5.46, 7.02 A assign (resid 76 and name HB*) (resid 4 and name HG2*) 2.65 0.85 0.85 ! 0.9685 1537:20 Long 2.47, 4.21 A assign (resid 9 and name HB*) (resid 5 and name HG2*) 2.30 0.50 0.50 ! 0.9567 1539:20 Mid 2.16, 3.80 A assign (resid 84 and name HB) (resid 84 and name HG2*) 2.30 0.50 0.50 ! 0.6124 1540:20 Ambig 2.43, 2.65 A or (resid 36 and name HG12) (resid 42 and name HG2*) ! 0.3162 1540:20 ----- 2.72, 4.07 A or (resid 46 and name HG) (resid 42 and name HG2*) ! 0.0596 1540:20 ----- 3.59, 5.00 A assign (resid 42 and name HB) (resid 42 and name HG2*) 2.30 0.50 0.50 ! 0.4660 1541:20 Ambig 2.37, 2.62 A or (resid 35 and name HB*) (resid 42 and name HG2*) ! 0.2828 1541:20 ----- 2.58, 4.22 A or (resid 104 and name HG11) (resid 84 and name HG2*) ! 0.2303 1541:20 ----- 2.67, 3.45 A assign (resid 104 and name HB) (resid 104 and name HG2*) 2.30 0.50 0.50 ! 0.5527 1544:20 Ambig 2.38, 2.64 A or (resid 108 and name HG) (resid 104 and name HG2*) ! 0.4137 1544:20 ----- 2.49, 3.30 A assign (resid 24 and name HD1) (resid 51 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1547:20 Long 2.77, 4.72 A assign (resid 16 and name HB) (resid 16 and name HG2*) 2.30 0.50 0.50 ! 0.7000 1550:20 Ambig 2.39, 2.62 A or (resid 107 and name HG) (resid 16 and name HG2*) ! 0.2673 1550:20 ----- 2.80, 3.96 A assign (resid 9 and name HB*) (resid 16 and name HG2*) 3.15 1.35 1.35 ! 0.5686 1551:20 Ambig 3.54, 6.41 A or (resid 107 and name HB2) (resid 16 and name HG2*) ! 0.3258 1551:20 ----- 3.88, 4.94 A or (resid 84 and name HG11) (resid 16 and name HG2*) ! 0.0441 1551:20 ----- 5.41, 6.75 A or (resid 13 and name HB1) (resid 16 and name HG2*) ! 0.0339 1551:20 ----- 5.66, 7.39 A assign (resid 104 and name HD1*) (resid 9 and name HB*) 2.30 0.50 0.50 ! 0.6232 1552:20 Ambig 1.91, 4.02 A or (resid 5 and name HG2*) (resid 9 and name HB*) ! 0.2989 1552:20 ----- 2.16, 3.80 A or (resid 104 and name HG12) (resid 9 and name HB*) ! 0.0779 1552:20 ----- 2.70, 4.07 A assign (resid 16 and name HD1*) (resid 9 and name HB*) 2.30 0.50 0.50 ! 0.4987 1553:20 Ambig 2.43, 4.81 A or (resid 84 and name HG2*) (resid 9 and name HB*) ! 0.4887 1553:20 ----- 2.44, 4.04 A assign (resid 108 and name HD1*) (resid 109 and name HB*) 3.65 1.85 1.85 ! 0.0000 1555:20 Seq 6.05, 7.91 A assign (resid 42 and name HG2*) (resid 35 and name HB*) 3.15 1.35 1.35 ! 0.7740 1556:20 Ambig 2.58, 4.22 A or (resid 40 and name HD1*) (resid 35 and name HB*) ! 0.1280 1556:20 ----- 3.48, 5.25 A or (resid 36 and name HD1*) (resid 35 and name HB*) ! 0.0924 1556:20 ----- 3.67, 5.74 A assign (resid 42 and name HD1*) (resid 35 and name HB*) 2.65 0.85 0.85 ! 0.6593 1557:20 Ambig 2.83, 4.39 A or (resid 27 and name HD1*) (resid 35 and name HB*) ! 0.1927 1557:20 ----- 3.48, 6.37 A or (resid 13 and name HD1*) (resid 35 and name HB*) ! 0.0968 1557:20 ----- 3.90, 6.49 A or (resid 13 and name HD2*) (resid 35 and name HB*) ! 0.0512 1557:20 ----- 4.33, 6.96 A assign (resid 4 and name HG2*) (resid 76 and name HB*) 2.30 0.50 0.50 ! 0.9464 1558:20 Ambig 2.47, 4.21 A or (resid 83 and name HB1) (resid 76 and name HB*) ! 0.0536 1558:20 ----- 3.99, 4.56 A assign (resid 83 and name HD1*) (resid 76 and name HB*) 2.30 0.50 0.50 ! 0.5832 1559:20 Ambig 2.05, 3.73 A or (resid 99 and name HG1*) (resid 76 and name HB*) ! 0.3670 1559:20 ----- 2.21, 3.56 A assign (resid 73 and name HD1*) (resid 94 and name HB*) 2.30 0.50 0.50 ! 0.4993 1560:20 Ambig 2.18, 4.64 A or (resid 83 and name HD2*) (resid 94 and name HB*) ! 0.3524 1560:20 ----- 2.31, 3.21 A or (resid 99 and name HG1*) (resid 94 and name HB*) ! 0.1161 1560:20 ----- 2.78, 4.63 A assign (resid 50 and name HG2*) (resid 45 and name HB*) 2.30 0.50 0.50 ! 0.9985 1561:20 Long 1.93, 3.95 A assign (resid 50 and name HG1*) (resid 45 and name HB*) 2.65 0.85 0.85 ! 0.9699 1562:20 Long 2.59, 4.78 A assign (resid 50 and name HG1*) (resid 27 and name HG2*) 2.30 0.50 0.50 ! 0.5444 1563:20 Ambig 2.10, 3.78 A or (resid 52 and name HG2*) (resid 27 and name HG2*) ! 0.3363 1563:20 ----- 2.27, 4.23 A or (resid 52 and name HG1*) (resid 27 and name HG2*) ! 0.1089 1563:20 ----- 2.74, 5.40 A assign (resid 42 and name HD1*) (resid 45 and name HB*) 2.30 0.50 0.50 ! 0.4598 1564:20 Ambig 2.10, 4.07 A or (resid 13 and name HD2*) (resid 45 and name HB*) ! 0.3008 1564:20 ----- 2.26, 4.66 A or (resid 13 and name HD1*) (resid 45 and name HB*) ! 0.2329 1564:20 ----- 2.36, 4.64 A assign (resid 27 and name HD1*) (resid 27 and name HG2*) 2.30 0.50 0.50 ! 0.5919 1565:20 Ambig 2.00, 4.34 A or (resid 42 and name HD1*) (resid 27 and name HG2*) ! 0.4038 1565:20 ----- 2.14, 4.45 A assign (resid 17 and name HD1*) (resid 45 and name HB*) 3.15 1.35 1.35 ! 0.0000 1566:20 Long 3.40, 6.26 A assign (resid 5 and name HD1*) (resid 5 and name HG2*) 2.30 0.50 0.50 ! 0.6089 1569:20 Ambig 2.00, 3.71 A or (resid 13 and name HD1*) (resid 5 and name HG2*) ! 0.3871 1569:20 ----- 2.16, 4.78 A assign (resid 107 and name HD1*) (resid 16 and name HG2*) 2.30 0.50 0.50 ! 0.5798 1573:20 Ambig 1.96, 3.97 A or (resid 104 and name HG12) (resid 16 and name HG2*) ! 0.4159 1573:20 ----- 2.07, 3.21 A assign (resid 16 and name HD1*) (resid 16 and name HG2*) 2.30 0.50 0.50 ! 0.0000 1574:20 Intra 1.92, 3.56 A assign (resid 16 and name HG2*) (resid 5 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1576:20 Long 5.02, 7.39 A assign (resid 16 and name HG2*) (resid 84 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1577:20 Long 2.09, 4.26 A assign (resid 16 and name HG2*) (resid 104 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1578:20 Long 1.97, 3.31 A assign (resid 105 and name HN) (resid 104 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1579:20 Seq 5.19, 5.89 A assign (resid 77 and name HN) (resid 74 and name HE*) 3.15 1.35 1.35 ! 0.5539 1580:20 Ambig 3.98, 5.09 A or (resid 78 and name HN) (resid 74 and name HE*) ! 0.3272 1580:20 ----- 4.35, 5.73 A or (resid 75 and name HN) (resid 74 and name HE*) ! 0.1190 1580:20 ----- 5.15, 5.98 A assign (resid 84 and name HN) (resid 84 and name HD1*) 3.15 1.35 1.35 ! 0.7783 1581:20 Ambig 4.04, 4.65 A or (resid 26 and name HN) (resid 84 and name HD1*) ! 0.1786 1581:20 ----- 5.16, 6.51 A assign (resid 9 and name HN) (resid 104 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1582:20 Long 4.52, 5.86 A assign (resid 15 and name HN) (resid 16 and name HD1*) 3.65 1.85 1.85 ! 0.3852 1583:20 Ambig 5.65, 6.24 A or (resid 9 and name HN) (resid 16 and name HD1*) ! 0.3415 1583:20 ----- 5.77, 7.14 A or (resid 5 and name HN) (resid 16 and name HD1*) ! 0.2733 1583:20 ----- 5.99, 6.81 A assign (resid 102 and name HN) (resid 102 and name HD1*) 2.65 0.85 0.85 ! 0.9823 1584:20 Intra 2.54, 3.66 A assign (resid 35 and name HN) (resid 36 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1585:20 Seq 5.52, 6.46 A assign (resid 41 and name HN) (resid 40 and name HG2*) 3.15 1.35 1.35 ! 0.9978 1586:20 Seq 2.10, 3.08 A assign (resid 5 and name HN) (resid 27 and name HD1*) 3.15 1.35 1.35 ! 0.6348 1587:20 Ambig 3.65, 5.10 A or (resid 35 and name HN) (resid 27 and name HD1*) ! 0.1831 1587:20 ----- 4.49, 6.37 A or (resid 27 and name HN) (resid 27 and name HD1*) ! 0.1372 1587:20 ----- 4.72, 5.42 A assign (resid 84 and name HN) (resid 5 and name HD1*) 3.15 1.35 1.35 ! 0.8000 1588:20 Ambig 3.39, 6.46 A or (resid 26 and name HN) (resid 5 and name HD1*) ! 0.2000 1588:20 ----- 4.28, 5.08 A assign (resid 5 and name HN) (resid 5 and name HD1*) 2.65 0.85 0.85 ! 0.8953 1589:20 Ambig 3.18, 4.39 A or (resid 27 and name HN) (resid 5 and name HD1*) ! 0.0504 1589:20 ----- 5.14, 6.74 A or (resid 25 and name HN) (resid 5 and name HD1*) ! 0.0329 1589:20 ----- 5.52, 6.97 A assign (resid 73 and name HN) (resid 72 and name HB*) 3.15 1.35 1.35 ! 0.0000 1590:20 Seq 2.36, 3.27 A assign (resid 74 and name HN) (resid 74 and name HE*) 3.15 1.35 1.35 ! 0.0000 1591:20 Intra 3.55, 4.51 A assign (resid 92 and name HN) (resid 91 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1592:20 Seq 3.27, 4.12 A assign (resid 37 and name HN) (resid 36 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1593:20 Seq 3.20, 4.12 A assign (resid 85 and name HN) (resid 104 and name HD1*) 4.15 2.35 2.35 ! 0.6232 1594:20 Ambig 5.47, 6.56 A or (resid 6 and name HN) (resid 104 and name HD1*) ! 0.3768 1594:20 ----- 5.94, 7.34 A assign (resid 6 and name HN) (resid 84 and name HD1*) 3.65 1.85 1.85 ! 0.4305 1595:20 Ambig 5.40, 6.47 A or (resid 3 and name HN) (resid 84 and name HD1*) ! 0.3267 1595:20 ----- 5.65, 6.65 A or (resid 85 and name HN) (resid 84 and name HD1*) ! 0.2429 1595:20 ----- 5.94, 6.47 A assign (resid 6 and name HN) (resid 16 and name HD1*) 3.65 1.85 1.85 ! 0.6892 1596:20 Ambig 5.41, 6.26 A or (resid 85 and name HN) (resid 16 and name HD1*) ! 0.3108 1596:20 ----- 6.18, 7.25 A assign (resid 104 and name HN) (resid 104 and name HD1*) 3.15 1.35 1.35 ! 0.5414 1597:20 Ambig 3.88, 4.52 A or (resid 16 and name HN) (resid 104 and name HD1*) ! 0.4586 1597:20 ----- 3.98, 5.73 A assign (resid 16 and name HN) (resid 16 and name HD1*) 2.65 0.85 0.85 ! 0.6119 1598:20 Ambig 3.88, 4.41 A or (resid 17 and name HN) (resid 16 and name HD1*) ! 0.3320 1598:20 ----- 4.30, 4.65 A or (resid 104 and name HN) (resid 16 and name HD1*) ! 0.0359 1598:20 ----- 6.23, 7.44 A assign (resid 51 and name HN) (resid 51 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1599:20 Intra 4.25, 4.54 A assign (resid 36 and name HN) (resid 36 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1600:20 Intra 3.28, 4.11 A assign (resid 37 and name HN) (resid 36 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1601:20 Seq 5.09, 5.72 A assign (resid 42 and name HN) (resid 40 and name HG2*) 4.15 2.35 2.35 ! 0.0000 1602:20 Mid 3.88, 5.37 A assign (resid 40 and name HN) (resid 40 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1603:20 Intra 4.32, 4.59 A assign (resid 32 and name HN) (resid 27 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1604:20 Long 2.64, 4.45 A assign (resid 94 and name HN) (resid 73 and name HD1*) 2.65 0.85 0.85 ! 0.9513 1605:20 Long 2.84, 4.03 A assign (resid 73 and name HN) (resid 73 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1606:20 Intra 3.95, 4.44 A assign (resid 32 and name HN) (resid 42 and name HD1*) 3.15 1.35 1.35 ! 0.5785 1607:20 Ambig 4.62, 5.67 A or (resid 43 and name HN) (resid 42 and name HD1*) ! 0.4215 1607:20 ----- 4.87, 5.73 A assign (resid 42 and name HN) (resid 42 and name HD1*) 3.15 1.35 1.35 ! 0.8508 1608:20 Ambig 4.68, 5.30 A or (resid 47 and name HN) (resid 42 and name HD1*) ! 0.1492 1608:20 ----- 6.26, 7.51 A assign (resid 82 and name HN) (resid 1 and name HE*) 3.15 1.35 1.35 ! 0.6218 1609:20 Ambig 2.59, 3.77 A or (resid 80 and name HD21) (resid 1 and name HE*) ! 0.2187 1609:20 ----- 3.08, 6.29 A or (resid 100 and name HD21) (resid 1 and name HE*) ! 0.1595 1609:20 ----- 3.25, 5.00 A assign (resid 33 and name HN) (resid 36 and name HG2*) 4.15 2.35 2.35 ! 0.0000 1611:20 Mid 6.85, 7.53 A assign (resid 91 and name HN) (resid 91 and name HG2*) 3.15 1.35 1.35 ! 0.0000 1612:20 Intra 4.36, 4.52 A assign (resid 12 and name HN) (resid 104 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1614:20 Long 3.61, 4.25 A assign (resid 20 and name HD21) (resid 84 and name HD1*) 3.65 1.85 1.85 ! 0.8647 1615:20 Ambig 3.95, 6.21 A or (resid 107 and name HN) (resid 84 and name HD1*) ! 0.0844 1615:20 ----- 5.82, 7.07 A or (resid 82 and name HN) (resid 84 and name HD1*) ! 0.0509 1615:20 ----- 6.33, 7.49 A assign (resid 13 and name HN) (resid 16 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1616:20 Mid 4.63, 5.55 A assign (resid 107 and name HN) (resid 102 and name HD1*) 2.65 0.85 0.85 ! 0.9824 1617:20 Long 2.45, 3.64 A assign (resid 2 and name HD*) (resid 51 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1618:20 Long 2.79, 5.67 A assign (resid 33 and name HN) (resid 36 and name HD1*) 4.15 2.35 2.35 ! 0.0000 1619:20 Mid 6.26, 7.06 A assign (resid 10 and name HE*) (resid 27 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1621:20 Long 2.07, 4.11 A assign (resid 10 and name HE*) (resid 5 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1622:20 Long 4.24, 7.42 A assign (resid 23 and name HE*) (resid 1 and name HE*) 3.15 1.35 1.35 ! 0.8773 1624:20 Ambig 3.02, 6.34 A or (resid 23 and name HD*) (resid 1 and name HE*) ! 0.1227 1624:20 ----- 4.19, 7.09 A assign (resid 72 and name HN) (resid 72 and name HB*) 2.65 0.85 0.85 ! 0.0000 1625:20 Intra 2.51, 2.89 A assign (resid 68 and name HD*) (resid 72 and name HB*) 3.65 1.85 1.85 ! 0.3655 1626:20 Ambig 5.22, 7.95 A or (resid 69 and name HN) (resid 72 and name HB*) ! 0.3538 1626:20 ----- 5.25, 6.16 A or (resid 10 and name HZ) (resid 72 and name HB*) ! 0.2806 1626:20 ----- 5.45, 7.44 A assign (resid 23 and name HD*) (resid 84 and name HD1*) 3.65 1.85 1.85 ! 0.8342 1627:20 Ambig 3.88, 6.82 A or (resid 23 and name HE*) (resid 84 and name HD1*) ! 0.1658 1627:20 ----- 5.08, 7.72 A assign (resid 10 and name HD*) (resid 40 and name HG2*) 3.65 1.85 1.85 ! 0.9992 1628:20 Long 1.96, 5.02 A assign (resid 45 and name HN) (resid 42 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1629:20 Mid 3.99, 5.26 A assign (resid 3 and name HA) (resid 1 and name HE*) 3.65 1.85 1.85 ! 0.0000 1630:20 Mid 4.75, 6.03 A assign (resid 69 and name HA) (resid 72 and name HB*) 3.15 1.35 1.35 ! 0.0000 1631:20 Mid 2.50, 3.59 A assign (resid 83 and name HA) (resid 84 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1633:20 Seq 5.40, 5.99 A assign (resid 12 and name HA) (resid 104 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1634:20 Long 4.37, 5.23 A assign (resid 26 and name HA) (resid 51 and name HD1*) 3.65 1.85 1.85 ! 0.8909 1635:20 Ambig 4.03, 4.74 A or (resid 52 and name HA) (resid 51 and name HD1*) ! 0.1091 1635:20 ----- 5.72, 6.58 A assign (resid 102 and name HA) (resid 102 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1636:20 Intra 3.93, 4.60 A assign (resid 81 and name HA) (resid 1 and name HE*) 3.15 1.35 1.35 ! 0.9963 1637:20 Long 2.27, 3.50 A assign (resid 6 and name HA) (resid 72 and name HB*) 3.15 1.35 1.35 ! 0.0000 1639:20 Long 2.27, 2.68 A assign (resid 74 and name HA) (resid 74 and name HE*) 2.65 0.85 0.85 ! 0.0000 1641:20 Intra 1.82, 2.63 A assign (resid 77 and name HA) (resid 74 and name HE*) 3.65 1.85 1.85 ! 0.7261 1642:20 Ambig 4.87, 5.82 A or (resid 97 and name HA) (resid 74 and name HE*) ! 0.2739 1642:20 ----- 5.73, 7.05 A assign (resid 92 and name HA) (resid 91 and name HG2*) 3.15 1.35 1.35 ! 0.9605 1643:20 Seq 3.15, 4.41 A assign (resid 33 and name HA) (resid 36 and name HG2*) 3.15 1.35 1.35 ! 0.9387 1644:20 Ambig 4.21, 4.90 A or (resid 34 and name HA) (resid 36 and name HG2*) ! 0.0613 1644:20 ----- 6.63, 7.43 A assign (resid 5 and name HA) (resid 84 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1645:20 Long 3.58, 4.83 A assign (resid 107 and name HA) (resid 84 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1646:20 Long 5.49, 6.38 A assign (resid 9 and name HA) (resid 104 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1648:20 Long 1.98, 3.31 A assign (resid 51 and name HA) (resid 51 and name HD1*) 3.15 1.35 1.35 ! 0.6909 1649:20 Ambig 4.86, 5.13 A or (resid 24 and name HA) (resid 51 and name HD1*) ! 0.3091 1649:20 ----- 5.56, 6.46 A assign (resid 50 and name HA) (resid 51 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1650:20 Seq 5.80, 6.30 A assign (resid 107 and name HA) (resid 102 and name HD1*) 2.65 0.85 0.85 ! 0.9980 1651:20 Long 2.44, 3.55 A assign (resid 33 and name HA) (resid 36 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1652:20 Mid 4.87, 5.35 A assign (resid 41 and name HA) (resid 40 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1654:20 Seq 4.19, 5.20 A assign (resid 5 and name HA) (resid 5 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1656:20 Intra 2.12, 4.15 A assign (resid 1 and name HA) (resid 1 and name HE*) 3.65 1.85 1.85 ! 0.0000 1657:20 Intra 5.03, 5.70 A assign (resid 72 and name HA) (resid 72 and name HB*) 2.65 0.85 0.85 ! 0.8075 1658:20 Ambig 2.43, 2.64 A or (resid 6 and name HB1) (resid 72 and name HB*) ! 0.1904 1658:20 ----- 3.09, 4.24 A assign (resid 70 and name HA) (resid 74 and name HE*) 3.15 1.35 1.35 ! 0.5469 1659:20 Ambig 4.67, 6.42 A or (resid 94 and name HA) (resid 74 and name HE*) ! 0.3019 1659:20 ----- 5.15, 6.27 A or (resid 75 and name HA) (resid 74 and name HE*) ! 0.1513 1659:20 ----- 5.78, 7.06 A assign (resid 77 and name HB2) (resid 74 and name HE*) 3.15 1.35 1.35 ! 0.9929 1660:20 Mid 2.47, 3.52 A assign (resid 37 and name HA) (resid 36 and name HG2*) 3.15 1.35 1.35 ! 0.9545 1661:20 Seq 3.13, 4.31 A assign (resid 36 and name HA) (resid 36 and name HG2*) 2.30 0.50 0.50 ! 0.9869 1662:20 Intra 2.58, 3.23 A assign (resid 103 and name HD2) (resid 91 and name HG2*) 3.15 1.35 1.35 ! 0.5065 1663:20 Ambig 3.91, 5.51 A or (resid 88 and name HA) (resid 91 and name HG2*) ! 0.4935 1663:20 ----- 3.92, 4.88 A assign (resid 105 and name HA) (resid 104 and name HD1*) 4.15 2.35 2.35 ! 0.5807 1664:20 Ambig 6.63, 7.25 A or (resid 11 and name HA2) (resid 104 and name HD1*) ! 0.4193 1664:20 ----- 7.00, 7.63 A assign (resid 17 and name HA) (resid 84 and name HD1*) 3.65 1.85 1.85 ! 0.5185 1665:20 Ambig 5.75, 6.52 A or (resid 13 and name HA) (resid 84 and name HD1*) ! 0.4815 1665:20 ----- 5.82, 6.75 A assign (resid 13 and name HA) (resid 16 and name HD1*) 2.65 0.85 0.85 ! 0.9928 1666:20 Mid 2.16, 3.16 A assign (resid 104 and name HA) (resid 104 and name HD1*) 3.15 1.35 1.35 ! 0.9347 1667:20 Ambig 4.16, 4.49 A or (resid 10 and name HB2) (resid 104 and name HD1*) ! 0.0653 1667:20 ----- 6.49, 7.52 A assign (resid 42 and name HA) (resid 36 and name HD1*) 3.65 1.85 1.85 ! 0.3951 1668:20 Ambig 6.26, 7.14 A or (resid 37 and name HA) (resid 36 and name HD1*) ! 0.3369 1668:20 ----- 6.43, 6.99 A or (resid 33 and name HB*) (resid 36 and name HD1*) ! 0.2679 1668:20 ----- 6.68, 7.87 A assign (resid 36 and name HA) (resid 36 and name HD1*) 2.65 0.85 0.85 ! 0.9963 1669:20 Intra 2.06, 2.94 A assign (resid 40 and name HA) (resid 40 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1670:20 Intra 2.46, 3.15 A assign (resid 35 and name HA) (resid 40 and name HG2*) 3.65 1.85 1.85 ! 0.9333 1671:20 Ambig 3.78, 4.61 A or (resid 13 and name HA) (resid 40 and name HG2*) ! 0.0381 1671:20 ----- 6.45, 7.73 A assign (resid 10 and name HB1) (resid 40 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1672:20 Long 1.89, 3.24 A assign (resid 93 and name HA) (resid 73 and name HD1*) 3.65 1.85 1.85 ! 0.9218 1673:20 Ambig 4.90, 5.93 A or (resid 72 and name HA) (resid 73 and name HD1*) ! 0.0782 1673:20 ----- 7.39, 7.85 A assign (resid 70 and name HA) (resid 73 and name HD1*) 2.65 0.85 0.85 ! 0.7839 1674:20 Ambig 2.07, 3.62 A or (resid 94 and name HA) (resid 73 and name HD1*) ! 0.1797 1674:20 ----- 2.64, 4.53 A assign (resid 32 and name HA) (resid 27 and name HD1*) 3.65 1.85 1.85 ! 0.9920 1675:20 Long 2.96, 4.83 A assign (resid 90 and name HA) (resid 73 and name HD1*) 2.65 0.85 0.85 ! 0.9873 1676:20 Long 2.10, 3.47 A assign (resid 42 and name HA) (resid 42 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1677:20 Intra 2.00, 2.98 A assign (resid 35 and name HA) (resid 42 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1678:20 Long 5.21, 6.54 A assign (resid 32 and name HA) (resid 42 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1679:20 Long 2.68, 3.83 A assign (resid 77 and name HB1) (resid 74 and name HE*) 3.15 1.35 1.35 ! 0.0000 1680:20 Mid 2.31, 3.46 A assign (resid 95 and name HE*) (resid 91 and name HG2*) 2.65 0.85 0.85 ! 0.0000 1681:20 Mid 1.92, 3.71 A assign (resid 92 and name HB1) (resid 91 and name HG2*) 3.65 1.85 1.85 ! 0.6633 1682:20 Ambig 3.90, 6.15 A or (resid 92 and name HB2) (resid 91 and name HG2*) ! 0.3367 1682:20 ----- 4.37, 5.52 A assign (resid 16 and name HA) (resid 16 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1683:20 Intra 4.81, 5.11 A assign (resid 12 and name HE*) (resid 104 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1684:20 Long 2.23, 4.67 A assign (resid 24 and name HE*) (resid 51 and name HD1*) 3.15 1.35 1.35 ! 0.9883 1685:20 Long 2.14, 4.58 A assign (resid 25 and name HB*) (resid 5 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1686:20 Long 2.09, 4.37 A assign (resid 1 and name HG2) (resid 1 and name HE*) 3.15 1.35 1.35 ! 0.0000 1687:20 Intra 2.56, 3.27 A assign (resid 71 and name HB*) (resid 72 and name HB*) 3.15 1.35 1.35 ! 0.9074 1688:20 Ambig 3.86, 5.77 A or (resid 5 and name HB) (resid 72 and name HB*) ! 0.0926 1688:20 ----- 5.65, 6.48 A assign (resid 74 and name HG2) (resid 74 and name HE*) 2.65 0.85 0.85 ! 0.0000 1690:20 Intra 2.48, 3.28 A assign (resid 74 and name HG1) (resid 74 and name HE*) 3.15 1.35 1.35 ! 0.0000 1691:20 Intra 3.81, 4.24 A assign (resid 103 and name HG2) (resid 91 and name HG2*) 3.65 1.85 1.85 ! 0.7735 1693:20 Ambig 4.40, 6.27 A or (resid 90 and name HB) (resid 91 and name HG2*) ! 0.1171 1693:20 ----- 6.03, 6.60 A or (resid 106 and name HB2) (resid 91 and name HG2*) ! 0.1094 1693:20 ----- 6.10, 7.77 A assign (resid 107 and name HB1) (resid 84 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1694:20 Long 3.87, 5.11 A assign (resid 12 and name HB1) (resid 104 and name HD1*) 2.30 0.50 0.50 ! 0.6477 1695:20 Ambig 2.21, 3.46 A or (resid 86 and name HG1) (resid 104 and name HD1*) ! 0.3330 1695:20 ----- 2.47, 3.52 A assign (resid 106 and name HB2) (resid 102 and name HD1*) 2.65 0.85 0.85 ! 0.8667 1696:20 Ambig 2.34, 4.58 A or (resid 107 and name HB1) (resid 102 and name HD1*) ! 0.0671 1696:20 ----- 3.58, 4.12 A or (resid 106 and name HG2) (resid 102 and name HD1*) ! 0.0555 1696:20 ----- 3.69, 6.01 A assign (resid 51 and name HB) (resid 51 and name HD1*) 2.30 0.50 0.50 ! 0.9967 1697:20 Intra 2.59, 3.18 A assign (resid 102 and name HB) (resid 102 and name HD1*) 2.65 0.85 0.85 ! 0.9959 1698:20 Intra 2.47, 3.09 A assign (resid 93 and name HB2) (resid 73 and name HD1*) 2.30 0.50 0.50 ! 0.6198 1699:20 Ambig 2.16, 4.13 A or (resid 73 and name HG12) (resid 73 and name HD1*) ! 0.3431 1699:20 ----- 2.38, 2.62 A assign (resid 5 and name HG12) (resid 5 and name HD1*) 2.30 0.50 0.50 ! 0.6137 1700:20 Ambig 2.35, 2.61 A or (resid 5 and name HB) (resid 5 and name HD1*) ! 0.3863 1700:20 ----- 2.54, 3.37 A assign (resid 82 and name HB*) (resid 1 and name HE*) 2.65 0.85 0.85 ! 0.6130 1704:20 Ambig 2.04, 4.16 A or (resid 82 and name HG) (resid 1 and name HE*) ! 0.3864 1704:20 ----- 2.21, 4.77 A assign (resid 28 and name HG2*) (resid 72 and name HB*) 2.65 0.85 0.85 ! 0.8869 1705:20 Ambig 2.88, 4.49 A or (resid 83 and name HG) (resid 72 and name HB*) ! 0.0527 1705:20 ----- 4.61, 5.63 A or (resid 85 and name HB*) (resid 72 and name HB*) ! 0.0246 1705:20 ----- 5.24, 6.98 A assign (resid 74 and name HB1) (resid 74 and name HE*) 3.15 1.35 1.35 ! 0.0000 1706:20 Intra 2.98, 4.05 A assign (resid 91 and name HB) (resid 91 and name HG2*) 2.30 0.50 0.50 ! 0.7610 1708:20 Ambig 2.40, 2.64 A or (resid 88 and name HD*) (resid 91 and name HG2*) ! 0.1244 1708:20 ----- 3.25, 7.59 A or (resid 95 and name HG*) (resid 91 and name HG2*) ! 0.0839 1708:20 ----- 3.47, 5.96 A assign (resid 101 and name HB*) (resid 91 and name HG2*) 2.30 0.50 0.50 ! 0.0000 1710:20 Long 2.25, 4.20 A assign (resid 84 and name HG11) (resid 84 and name HD1*) 2.30 0.50 0.50 ! 0.8725 1711:20 Ambig 2.38, 2.63 A or (resid 107 and name HB2) (resid 84 and name HD1*) ! 0.0717 1711:20 ----- 3.62, 4.75 A or (resid 82 and name HB*) (resid 84 and name HD1*) ! 0.0234 1711:20 ----- 4.36, 6.12 A assign (resid 84 and name HB) (resid 84 and name HD1*) 2.30 0.50 0.50 ! 0.9957 1712:20 Intra 2.56, 3.16 A assign (resid 104 and name HG11) (resid 104 and name HD1*) 2.30 0.50 0.50 ! 0.0000 1713:20 Intra 2.38, 2.61 A assign (resid 9 and name HB*) (resid 16 and name HD1*) 2.65 0.85 0.85 ! 0.9704 1714:20 Long 2.43, 4.81 A assign (resid 51 and name HG12) (resid 51 and name HD1*) 2.30 0.50 0.50 ! 0.7760 1715:20 Ambig 2.40, 2.62 A or (resid 24 and name HD2) (resid 51 and name HD1*) ! 0.2050 1715:20 ----- 3.00, 5.08 A assign (resid 107 and name HB2) (resid 102 and name HD1*) 2.30 0.50 0.50 ! 0.7090 1716:20 Ambig 2.03, 2.51 A or (resid 102 and name HG12) (resid 102 and name HD1*) ! 0.2769 1716:20 ----- 2.37, 2.61 A assign (resid 51 and name HG11) (resid 51 and name HD1*) 2.30 0.50 0.50 ! 0.5841 1717:20 Ambig 2.42, 2.63 A or (resid 24 and name HG2) (resid 51 and name HD1*) ! 0.4159 1717:20 ----- 2.56, 3.64 A assign (resid 36 and name HG12) (resid 36 and name HD1*) 2.30 0.50 0.50 ! 0.9967 1718:20 Intra 2.40, 2.62 A assign (resid 36 and name HG11) (resid 36 and name HD1*) 2.30 0.50 0.50 ! 0.9599 1719:20 Intra 2.40, 2.63 A assign (resid 40 and name HB) (resid 40 and name HG2*) 2.30 0.50 0.50 ! 0.0000 1720:20 Intra 2.40, 2.65 A assign (resid 27 and name HB) (resid 27 and name HD1*) 2.65 0.85 0.85 ! 0.9525 1722:20 Intra 2.55, 3.31 A assign (resid 94 and name HB*) (resid 73 and name HD1*) 2.30 0.50 0.50 ! 0.0000 1723:20 Long 2.18, 4.64 A assign (resid 42 and name HB) (resid 42 and name HD1*) 2.30 0.50 0.50 ! 0.6804 1725:20 Ambig 2.47, 3.11 A or (resid 35 and name HB*) (resid 42 and name HD1*) ! 0.2975 1725:20 ----- 2.83, 4.39 A assign (resid 45 and name HB*) (resid 42 and name HD1*) 2.30 0.50 0.50 ! 0.6823 1726:20 Ambig 2.10, 4.07 A or (resid 42 and name HG12) (resid 42 and name HD1*) ! 0.3177 1726:20 ----- 2.39, 2.62 A assign (resid 3 and name HB*) (resid 1 and name HE*) 3.65 1.85 1.85 ! 0.0000 1728:20 Mid 5.36, 7.55 A assign (resid 82 and name HD2*) (resid 1 and name HE*) 2.65 0.85 0.85 ! 0.9333 1729:20 Ambig 2.55, 4.22 A or (resid 82 and name HD1*) (resid 1 and name HE*) ! 0.0560 1729:20 ----- 4.08, 6.27 A assign (resid 4 and name HG2*) (resid 72 and name HB*) 3.15 1.35 1.35 ! 0.3557 1730:20 Ambig 5.46, 7.02 A or (resid 90 and name HG2*) (resid 72 and name HB*) ! 0.2690 1730:20 ----- 5.72, 7.77 A or (resid 5 and name HG2*) (resid 72 and name HB*) ! 0.2475 1730:20 ----- 5.80, 7.32 A or (resid 83 and name HB1) (resid 72 and name HB*) ! 0.1278 1730:20 ----- 6.47, 7.49 A assign (resid 83 and name HD1*) (resid 72 and name HB*) 2.30 0.50 0.50 ! 0.5433 1731:20 Ambig 2.36, 4.11 A or (resid 4 and name HG1*) (resid 72 and name HB*) ! 0.4318 1731:20 ----- 2.45, 4.23 A assign (resid 74 and name HB2) (resid 74 and name HE*) 3.15 1.35 1.35 ! 0.0000 1732:20 Intra 4.17, 4.78 A assign (resid 97 and name HD1*) (resid 74 and name HE*) 2.30 0.50 0.50 ! 0.9306 1733:20 Ambig 2.25, 3.60 A or (resid 97 and name HD2*) (resid 74 and name HE*) ! 0.0365 1733:20 ----- 3.86, 5.61 A assign (resid 91 and name HD1*) (resid 91 and name HG2*) 2.30 0.50 0.50 ! 0.9964 1734:20 Intra 2.01, 3.67 A assign (resid 84 and name HG12) (resid 84 and name HD1*) 2.30 0.50 0.50 ! 0.4902 1735:20 Ambig 2.37, 2.62 A or (resid 107 and name HD2*) (resid 84 and name HD1*) ! 0.3544 1735:20 ----- 2.50, 4.33 A or (resid 107 and name HD1*) (resid 84 and name HD1*) ! 0.1203 1735:20 ----- 3.00, 4.60 A assign (resid 79 and name HD2*) (resid 51 and name HD1*) 4.15 2.35 2.35 ! 0.0000 1737:20 Long 5.44, 7.31 A assign (resid 40 and name HD1*) (resid 40 and name HG2*) 2.30 0.50 0.50 ! 0.0000 1738:20 Intra 1.97, 3.66 A assign (resid 5 and name HG2*) (resid 5 and name HD1*) 2.65 0.85 0.85 ! 0.8573 1739:20 Ambig 2.00, 3.71 A or (resid 50 and name HG2*) (resid 5 and name HD1*) ! 0.1335 1739:20 ----- 2.73, 4.96 A assign (resid 16 and name HG2*) (resid 84 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1740:20 Long 2.74, 4.95 A assign (resid 16 and name HG2*) (resid 104 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1741:20 Long 2.56, 4.55 A assign (resid 16 and name HG2*) (resid 16 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1742:20 Intra 1.92, 3.56 A assign (resid 16 and name HG2*) (resid 5 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1743:20 Long 4.52, 7.04 A assign (resid 35 and name HN) (resid 40 and name HD1*) 4.15 2.35 2.35 ! 0.9426 1744:20 Ambig 4.34, 5.77 A or (resid 9 and name HN) (resid 40 and name HD1*) ! 0.0574 1744:20 ----- 6.91, 7.96 A assign (resid 40 and name HN) (resid 40 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1745:20 Intra 4.04, 4.66 A assign (resid 85 and name HN) (resid 91 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1746:20 Long 3.65, 4.90 A assign (resid 104 and name HN) (resid 91 and name HD1*) 3.15 1.35 1.35 ! 0.5733 1747:20 Ambig 4.50, 5.72 A or (resid 92 and name HN) (resid 91 and name HD1*) ! 0.4267 1747:20 ----- 4.72, 5.48 A assign (resid 46 and name HN) (resid 42 and name HD1*) 3.65 1.85 1.85 ! 0.9414 1748:20 Ambig 3.75, 4.91 A or (resid 34 and name HN) (resid 42 and name HD1*) ! 0.0586 1748:20 ----- 5.96, 7.67 A assign (resid 38 and name HN) (resid 40 and name HD1*) 4.15 2.35 2.35 ! 0.7039 1749:20 Ambig 4.50, 5.42 A or (resid 12 and name HN) (resid 40 and name HD1*) ! 0.2961 1749:20 ----- 5.19, 7.38 A assign (resid 10 and name HE*) (resid 40 and name HD1*) 4.15 2.35 2.35 ! 0.0000 1750:20 Long 3.45, 6.10 A assign (resid 91 and name HN) (resid 91 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1751:20 Intra 3.72, 4.33 A assign (resid 10 and name HD*) (resid 40 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1752:20 Long 2.05, 4.52 A assign (resid 34 and name HD*) (resid 40 and name HD1*) 4.15 2.35 2.35 ! 0.9859 1753:20 Long 2.66, 5.67 A assign (resid 103 and name HA) (resid 91 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1754:20 Long 2.59, 3.60 A assign (resid 102 and name HA) (resid 91 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1755:20 Long 2.80, 4.27 A assign (resid 10 and name HA) (resid 40 and name HD1*) 4.15 2.35 2.35 ! 0.0000 1757:20 Long 4.17, 5.61 A assign (resid 86 and name HA) (resid 91 and name HD1*) 3.65 1.85 1.85 ! 0.9855 1759:20 Long 2.70, 4.17 A assign (resid 87 and name HA) (resid 91 and name HD1*) 4.15 2.35 2.35 ! 0.5415 1760:20 Ambig 4.63, 5.53 A or (resid 85 and name HA) (resid 91 and name HD1*) ! 0.3579 1760:20 ----- 4.97, 6.10 A or (resid 89 and name HA) (resid 91 and name HD1*) ! 0.1006 1760:20 ----- 6.13, 7.34 A assign (resid 11 and name HA2) (resid 40 and name HD1*) 3.15 1.35 1.35 ! 0.8755 1761:20 Ambig 3.18, 5.66 A or (resid 40 and name HA) (resid 40 and name HD1*) ! 0.1245 1761:20 ----- 4.40, 4.67 A assign (resid 35 and name HA) (resid 40 and name HD1*) 3.15 1.35 1.35 ! 0.9992 1762:20 Long 2.01, 3.44 A assign (resid 38 and name HB2) (resid 40 and name HD1*) 3.15 1.35 1.35 ! 0.6472 1763:20 Ambig 2.37, 3.18 A or (resid 10 and name HB2) (resid 40 and name HD1*) ! 0.3528 1763:20 ----- 2.62, 3.61 A assign (resid 88 and name HA) (resid 91 and name HD1*) 2.65 0.85 0.85 ! 0.9750 1764:20 Mid 2.05, 3.45 A assign (resid 91 and name HA) (resid 91 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1765:20 Intra 4.41, 4.64 A assign (resid 103 and name HB1) (resid 91 and name HD1*) 2.65 0.85 0.85 ! 0.9389 1766:20 Ambig 2.42, 3.78 A or (resid 103 and name HB2) (resid 91 and name HD1*) ! 0.0417 1766:20 ----- 4.07, 5.07 A assign (resid 103 and name HG2) (resid 91 and name HD1*) 3.15 1.35 1.35 ! 0.7342 1767:20 Ambig 3.70, 4.69 A or (resid 90 and name HB) (resid 91 and name HD1*) ! 0.1241 1767:20 ----- 4.97, 5.64 A or (resid 106 and name HB2) (resid 91 and name HD1*) ! 0.0545 1767:20 ----- 5.70, 6.91 A or (resid 106 and name HB1) (resid 91 and name HD1*) ! 0.0486 1767:20 ----- 5.82, 7.76 A assign (resid 40 and name HB) (resid 40 and name HD1*) 2.30 0.50 0.50 ! 0.0000 1768:20 Intra 2.55, 3.16 A assign (resid 40 and name HG12) (resid 40 and name HD1*) 2.30 0.50 0.50 ! 0.0000 1769:20 Intra 2.39, 2.61 A assign (resid 91 and name HB) (resid 91 and name HD1*) 2.30 0.50 0.50 ! 0.9892 1770:20 Intra 2.51, 3.11 A assign (resid 91 and name HG12) (resid 91 and name HD1*) 2.30 0.50 0.50 ! 0.0000 1771:20 Intra 2.41, 2.62 A assign (resid 101 and name HB*) (resid 91 and name HD1*) 3.15 1.35 1.35 ! 0.0000 1772:20 Long 4.63, 6.10 A assign (resid 40 and name HG2*) (resid 40 and name HD1*) 2.30 0.50 0.50 ! 0.9864 1774:20 Intra 1.97, 3.66 A assign (resid 91 and name HG2*) (resid 91 and name HD1*) 2.30 0.50 0.50 ! 0.9914 1775:20 Intra 2.01, 3.67 A assign (resid 52 and name HG2*) (resid 28 and name HA) 3.15 1.35 1.35 ! 0.4571 1776:20 Ambig 3.35, 5.14 A or (resid 52 and name HG1*) (resid 28 and name HA) ! 0.3741 1776:20 ----- 3.47, 5.87 A or (resid 75 and name HG1*) (resid 28 and name HA) ! 0.1641 1776:20 ----- 3.98, 5.49 A assign (resid 28 and name HG2*) (resid 28 and name HA) 3.15 1.35 1.35 ! 0.8848 1777:20 Ambig 2.29, 2.96 A or (resid 75 and name HG2*) (resid 28 and name HA) ! 0.0705 1777:20 ----- 3.50, 4.79 A assign (resid 54 and name HB*) (resid 28 and name HA) 3.65 1.85 1.85 ! 0.5383 1778:20 Ambig 4.02, 5.94 A or (resid 53 and name HG*) (resid 28 and name HA) ! 0.2617 1778:20 ----- 4.54, 5.70 A or (resid 53 and name HB2) (resid 28 and name HA) ! 0.1854 1778:20 ----- 4.81, 5.26 A assign (resid 28 and name HB) (resid 28 and name HA) 3.15 1.35 1.35 ! 0.9799 1779:20 Intra 2.46, 2.51 A assign (resid 29 and name HN) (resid 28 and name HA) 3.15 1.35 1.35 ! 0.0000 1780:20 Seq 2.31, 2.47 A assign (resid 53 and name HN) (resid 28 and name HA) 3.65 1.85 1.85 ! 0.9975 1781:20 Long 2.45, 2.76 A assign (resid 28 and name HN) (resid 28 and name HA) 3.65 1.85 1.85 ! 0.0000 1782:20 Intra 2.83, 2.87 A assign (resid 74 and name HN) (resid 71 and name HA) 3.65 1.85 1.85 ! 0.9950 1783:20 Mid 3.00, 3.41 A assign (resid 102 and name HN) (resid 101 and name HA) 3.15 1.35 1.35 ! 0.9924 1784:20 Seq 2.09, 2.14 A assign (resid 83 and name HN) (resid 101 and name HA) 3.65 1.85 1.85 ! 0.9954 1785:20 Long 2.31, 2.62 A assign (resid 101 and name HN) (resid 101 and name HA) 3.65 1.85 1.85 ! 0.0000 1786:20 Intra 2.89, 2.92 A assign (resid 82 and name HA) (resid 101 and name HA) 3.65 1.85 1.85 ! 0.5181 1787:20 Ambig 4.28, 4.61 A or (resid 100 and name HA) (resid 101 and name HA) ! 0.4819 1787:20 ----- 4.33, 4.36 A assign (resid 95 and name HB*) (resid 101 and name HA) 3.65 1.85 1.85 ! 0.3211 1788:20 Ambig 5.15, 6.56 A or (resid 99 and name HB) (resid 101 and name HA) ! 0.2921 1788:20 ----- 5.24, 5.43 A or (resid 102 and name HB) (resid 101 and name HA) ! 0.2007 1788:20 ----- 5.57, 5.64 A or (resid 73 and name HG12) (resid 101 and name HA) ! 0.0840 1788:20 ----- 6.44, 6.95 A or (resid 4 and name HB) (resid 101 and name HA) ! 0.0555 1788:20 ----- 6.91, 7.04 A assign (resid 83 and name HB2) (resid 101 and name HA) 3.15 1.35 1.35 ! 0.6875 1789:20 Ambig 3.55, 3.77 A or (resid 91 and name HG12) (resid 101 and name HA) ! 0.2267 1789:20 ----- 4.27, 4.71 A or (resid 102 and name HG12) (resid 101 and name HA) ! 0.0735 1789:20 ----- 5.15, 5.27 A assign (resid 101 and name HB*) (resid 101 and name HA) 3.15 1.35 1.35 ! 0.0000 1790:20 Intra 2.42, 2.64 A assign (resid 83 and name HB1) (resid 101 and name HA) 3.15 1.35 1.35 ! 0.9730 1791:20 Long 2.03, 2.19 A assign (resid 82 and name HD1*) (resid 101 and name HA) 3.15 1.35 1.35 ! 0.3360 1792:20 Ambig 3.43, 5.06 A or (resid 83 and name HD2*) (resid 101 and name HA) ! 0.2821 1792:20 ----- 3.53, 4.74 A or (resid 99 and name HG1*) (resid 101 and name HA) ! 0.2332 1792:20 ----- 3.65, 4.89 A or (resid 82 and name HD2*) (resid 101 and name HA) ! 0.1080 1792:20 ----- 4.15, 5.68 A assign (resid 32 and name HN) (resid 29 and name HA) 3.65 1.85 1.85 ! 0.0000 1794:20 Mid 3.20, 3.43 A assign (resid 32 and name HB) (resid 29 and name HA) 3.65 1.85 1.85 ! 0.0000 1796:20 Mid 4.88, 5.07 A assign (resid 33 and name HN) (resid 32 and name HA) 3.65 1.85 1.85 ! 0.0000 1797:20 Seq 3.47, 3.50 A assign (resid 35 and name HN) (resid 32 and name HA) 3.65 1.85 1.85 ! 0.9959 1798:20 Mid 3.08, 3.32 A assign (resid 33 and name HA) (resid 32 and name HA) 3.65 1.85 1.85 ! 0.4489 1799:20 Ambig 4.65, 4.73 A or (resid 31 and name HA2) (resid 32 and name HA) ! 0.4485 1799:20 ----- 4.65, 4.68 A or (resid 34 and name HA) (resid 32 and name HA) ! 0.0769 1799:20 ----- 6.24, 6.45 A assign (resid 42 and name HG11) (resid 32 and name HA) 3.15 1.35 1.35 ! 0.6557 1800:20 Ambig 3.81, 4.20 A or (resid 27 and name HG2*) (resid 32 and name HA) ! 0.2495 1800:20 ----- 4.47, 5.24 A or (resid 36 and name HG11) (resid 32 and name HA) ! 0.0948 1800:20 ----- 5.25, 5.55 A assign (resid 42 and name HG2*) (resid 32 and name HA) 3.15 1.35 1.35 ! 0.8782 1801:20 Ambig 2.97, 4.76 A or (resid 46 and name HD1*) (resid 32 and name HA) ! 0.0545 1801:20 ----- 4.72, 6.42 A or (resid 36 and name HD1*) (resid 32 and name HA) ! 0.0319 1801:20 ----- 5.16, 5.96 A assign (resid 55 and name HD*) (resid 75 and name HA) 3.65 1.85 1.85 ! 0.8200 1802:20 Ambig 2.33, 4.79 A or (resid 55 and name HE*) (resid 75 and name HA) ! 0.1800 1802:20 ----- 3.00, 5.55 A assign (resid 53 and name HG*) (resid 75 and name HA) 3.65 1.85 1.85 ! 0.7999 1803:20 Ambig 4.27, 5.19 A or (resid 76 and name HB*) (resid 75 and name HA) ! 0.1330 1803:20 ----- 5.76, 6.08 A or (resid 79 and name HB1) (resid 75 and name HA) ! 0.0671 1803:20 ----- 6.45, 6.66 A assign (resid 75 and name HB) (resid 75 and name HA) 3.65 1.85 1.85 ! 0.9900 1804:20 Intra 3.03, 3.04 A assign (resid 79 and name HG) (resid 75 and name HA) 3.65 1.85 1.85 ! 0.8447 1805:20 Ambig 3.71, 3.91 A or (resid 53 and name HB1) (resid 75 and name HA) ! 0.0832 1805:20 ----- 5.45, 5.81 A or (resid 74 and name HE*) (resid 75 and name HA) ! 0.0584 1805:20 ----- 5.78, 7.06 A assign (resid 78 and name HG1) (resid 75 and name HA) 3.65 1.85 1.85 ! 0.0000 1806:20 Mid 2.61, 4.23 A assign (resid 78 and name HB2) (resid 75 and name HA) 3.65 1.85 1.85 ! 0.0000 1807:20 Mid 2.33, 3.38 A assign (resid 15 and name HB2) (resid 16 and name HA) 3.65 1.85 1.85 ! 0.6034 1808:20 Ambig 4.06, 4.30 A or (resid 107 and name HB1) (resid 16 and name HA) ! 0.3544 1808:20 ----- 4.43, 4.93 A assign (resid 17 and name HA) (resid 16 and name HA) 3.65 1.85 1.85 ! 0.6137 1809:20 Ambig 4.59, 4.75 A or (resid 13 and name HA) (resid 16 and name HA) ! 0.2230 1809:20 ----- 5.44, 5.88 A or (resid 18 and name HA2) (resid 16 and name HA) ! 0.0904 1809:20 ----- 6.32, 6.63 A or (resid 14 and name HA) (resid 16 and name HA) ! 0.0729 1809:20 ----- 6.55, 6.87 A assign (resid 19 and name HB2) (resid 16 and name HA) 3.65 1.85 1.85 ! 0.8365 1810:20 Ambig 3.17, 3.94 A or (resid 108 and name HA) (resid 16 and name HA) ! 0.1529 1810:20 ----- 4.20, 4.65 A assign (resid 88 and name HA) (resid 91 and name HA) 3.65 1.85 1.85 ! 0.5974 1811:20 Ambig 5.06, 5.46 A or (resid 94 and name HA) (resid 91 and name HA) ! 0.3032 1811:20 ----- 5.66, 5.88 A or (resid 103 and name HD2) (resid 91 and name HA) ! 0.0994 1811:20 ----- 6.82, 7.59 A assign (resid 105 and name HN) (resid 104 and name HA) 3.65 1.85 1.85 ! 0.0000 1812:20 Seq 3.47, 3.52 A assign (resid 106 and name HN) (resid 104 and name HA) 3.65 1.85 1.85 ! 0.0000 1813:20 Mid 3.92, 4.10 A assign (resid 108 and name HN) (resid 104 and name HA) 3.65 1.85 1.85 ! 0.9778 1814:20 Mid 3.78, 4.01 A assign (resid 40 and name HN) (resid 36 and name HA) 3.65 1.85 1.85 ! 0.9672 1815:20 Mid 3.82, 4.03 A assign (resid 107 and name HA) (resid 104 and name HA) 3.65 1.85 1.85 ! 0.7957 1816:20 Ambig 4.81, 5.14 A or (resid 108 and name HA) (resid 104 and name HA) ! 0.2043 1816:20 ----- 6.04, 6.29 A assign (resid 35 and name HB*) (resid 36 and name HA) 3.65 1.85 1.85 ! 0.6586 1817:20 Ambig 4.12, 4.83 A or (resid 42 and name HB) (resid 36 and name HA) ! 0.2277 1817:20 ----- 4.92, 5.34 A or (resid 37 and name HG2) (resid 36 and name HA) ! 0.1137 1817:20 ----- 5.52, 5.91 A assign (resid 105 and name HB2) (resid 104 and name HA) 3.65 1.85 1.85 ! 0.4845 1818:20 Ambig 5.66, 5.79 A or (resid 105 and name HB1) (resid 104 and name HA) ! 0.4157 1818:20 ----- 5.80, 6.51 A or (resid 86 and name HB1) (resid 104 and name HA) ! 0.0998 1818:20 ----- 7.36, 7.53 A assign (resid 84 and name HG2*) (resid 104 and name HA) 2.65 0.85 0.85 ! 0.8428 1819:20 Ambig 2.59, 3.37 A or (resid 102 and name HD1*) (resid 104 and name HA) ! 0.0599 1819:20 ----- 4.02, 4.65 A or (resid 16 and name HD1*) (resid 104 and name HA) ! 0.0399 1819:20 ----- 4.31, 5.65 A or (resid 84 and name HD1*) (resid 104 and name HA) ! 0.0335 1819:20 ----- 4.43, 5.73 A assign (resid 104 and name HG12) (resid 104 and name HA) 2.65 0.85 0.85 ! 0.9188 1820:20 Ambig 2.22, 2.35 A or (resid 107 and name HD1*) (resid 104 and name HA) ! 0.0641 1820:20 ----- 3.45, 5.16 A assign (resid 10 and name HE*) (resid 7 and name HA) 3.65 1.85 1.85 ! 0.0000 1821:20 Mid 2.22, 3.43 A assign (resid 10 and name HN) (resid 7 and name HA) 3.65 1.85 1.85 ! 0.9574 1822:20 Mid 3.54, 3.80 A assign (resid 9 and name HN) (resid 7 and name HA) 3.65 1.85 1.85 ! 0.4956 1823:20 Ambig 3.36, 3.63 A or (resid 8 and name HN) (resid 7 and name HA) ! 0.4819 1823:20 ----- 3.37, 3.51 A assign (resid 6 and name HA) (resid 7 and name HA) 3.65 1.85 1.85 ! 0.5184 1824:20 Ambig 4.43, 4.47 A or (resid 10 and name HA) (resid 7 and name HA) ! 0.4816 1824:20 ----- 4.49, 5.02 A assign (resid 37 and name HB*) (resid 38 and name HB1) 4.15 2.35 2.35 ! 0.0000 1825:20 Seq 5.28, 6.79 A assign (resid 37 and name HB*) (resid 38 and name HB2) 4.15 2.35 2.35 ! 0.9511 1826:20 Seq 4.52, 6.25 A assign (resid 37 and name HG2) (resid 38 and name HB1) 3.65 1.85 1.85 ! 0.7419 1827:20 Ambig 5.37, 6.04 A or (resid 35 and name HB*) (resid 38 and name HB1) ! 0.2581 1827:20 ----- 6.40, 7.13 A assign (resid 37 and name HG2) (resid 38 and name HB2) 3.65 1.85 1.85 ! 0.5916 1828:20 Ambig 4.40, 5.15 A or (resid 35 and name HB*) (resid 38 and name HB2) ! 0.3682 1828:20 ----- 4.77, 5.44 A assign (resid 40 and name HG11) (resid 38 and name HB2) 3.65 1.85 1.85 ! 0.0000 1829:20 Mid 1.98, 2.17 A assign (resid 40 and name HG11) (resid 38 and name HB1) 3.65 1.85 1.85 ! 0.0000 1830:20 Mid 2.63, 2.94 A assign (resid 55 and name HD*) (resid 56 and name HB2) 4.15 2.35 2.35 ! 0.6867 1831:20 Ambig 3.96, 6.39 A or (resid 55 and name HE*) (resid 56 and name HB2) ! 0.3133 1831:20 ----- 4.51, 7.23 A assign (resid 55 and name HD*) (resid 56 and name HB1) 4.15 2.35 2.35 ! 0.6768 1832:20 Ambig 4.91, 6.94 A or (resid 55 and name HE*) (resid 56 and name HB1) ! 0.3232 1832:20 ----- 5.55, 7.92 A assign (resid 56 and name HN) (resid 56 and name HB2) 3.65 1.85 1.85 ! 0.0000 1833:20 Intra 2.37, 2.77 A assign (resid 56 and name HN) (resid 56 and name HB1) 3.65 1.85 1.85 ! 0.0000 1834:20 Intra 2.46, 3.14 A assign (resid 55 and name HE*) (resid 71 and name HA) 3.65 1.85 1.85 ! 0.9703 1835:20 Long 1.99, 6.52 A assign (resid 72 and name HN) (resid 71 and name HA) 3.65 1.85 1.85 ! 0.0000 1836:20 Seq 3.48, 3.53 A assign (resid 30 and name HD1*) (resid 71 and name HA) 3.15 1.35 1.35 ! 0.0000 1837:20 Long 4.41, 5.57 A assign (resid 25 and name HD*) (resid 5 and name HD1*) 2.65 0.85 0.85 ! 0.0000 1838:20 Long 2.00, 4.96 A assign (resid 41 and name HN) (resid 40 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1839:20 Seq 5.28, 5.99 A assign (resid 105 and name HN) (resid 102 and name HD1*) 4.15 2.35 2.35 ! 0.0000 1840:20 Mid 5.72, 6.73 A assign (resid 11 and name HN) (resid 104 and name HD1*) 4.15 2.35 2.35 ! 0.0000 1841:20 Long 5.99, 6.71 A assign (resid 4 and name HN) (resid 84 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1843:20 Long 4.67, 5.76 A assign (resid 13 and name HA) (resid 104 and name HD1*) 3.65 1.85 1.85 ! 0.0000 1844:20 Long 3.69, 5.19 A assign (resid 20 and name HB1) (resid 84 and name HD1*) 3.65 1.85 1.85 ! 0.5305 1845:20 Ambig 4.41, 5.85 A or (resid 25 and name HB*) (resid 84 and name HD1*) ! 0.4695 1845:20 ----- 4.50, 6.48 A assign (resid 20 and name HB1) (resid 16 and name HD1*) 3.65 1.85 1.85 ! 0.5865 1846:20 Ambig 5.11, 7.06 A or (resid 20 and name HB2) (resid 16 and name HD1*) ! 0.4135 1846:20 ----- 5.42, 7.51 A assign (resid 41 and name HB1) (resid 40 and name HG2*) 4.15 2.35 2.35 ! 0.9612 1847:20 Seq 3.77, 5.62 A assign (resid 41 and name HB2) (resid 40 and name HG2*) 4.15 2.35 2.35 ! 0.0000 1848:20 Seq 3.34, 5.25 A assign (resid 101 and name HN) (resid 91 and name HG2*) 3.65 1.85 1.85 ! 0.0000 1849:20 Long 3.76, 5.07 A assign (resid 10 and name HE*) (resid 40 and name HG2*) 4.15 2.35 2.35 ! 0.0000 1851:20 Long 3.80, 6.43 A assign (resid 105 and name HN) (resid 84 and name HG2*) 3.65 1.85 1.85 ! 0.7734 1853:20 Ambig 5.76, 6.61 A or (resid 4 and name HN) (resid 84 and name HG2*) ! 0.2266 1853:20 ----- 7.07, 7.60 A assign (resid 83 and name HA) (resid 83 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1855:20 Intra 4.44, 4.70 A assign (resid 101 and name HA) (resid 83 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1856:20 Long 3.53, 4.74 A assign (resid 84 and name HN) (resid 83 and name HD2*) 3.65 1.85 1.85 ! 0.5159 1857:20 Ambig 4.89, 5.39 A or (resid 102 and name HN) (resid 83 and name HD2*) ! 0.4841 1857:20 ----- 4.95, 6.06 A assign (resid 73 and name HN) (resid 83 and name HD2*) 3.65 1.85 1.85 ! 0.0000 1858:20 Long 3.88, 4.85 A assign (resid 15 and name HN) (resid 15 and name HB2) 3.65 1.85 1.85 ! 0.0000 1859:20 Intra 2.36, 2.45 A assign (resid 102 and name HA) (resid 103 and name HG2) 3.65 1.85 1.85 ! 0.0000 1860:20 Seq 4.45, 4.52 A assign (resid 68 and name HD*) (resid 7 and name HB2) 3.15 1.35 1.35 ! 0.8101 1862:20 Ambig 2.02, 4.24 A or (resid 68 and name HE*) (resid 7 and name HB2) ! 0.1603 1862:20 ----- 2.65, 4.59 A assign (resid 34 and name HD*) (resid 7 and name HB1) 3.65 1.85 1.85 ! 0.7815 1863:20 Ambig 2.22, 3.79 A or (resid 68 and name HD*) (resid 7 and name HB1) ! 0.1206 1863:20 ----- 3.03, 4.76 A or (resid 10 and name HZ) (resid 7 and name HB1) ! 0.0506 1863:20 ----- 3.50, 4.31 A assign (resid 55 and name HE*) (resid 57 and name HB2) 4.15 2.35 2.35 ! 0.8604 1864:20 Ambig 2.31, 5.71 A or (resid 55 and name HD*) (resid 57 and name HB2) ! 0.1396 1864:20 ----- 3.12, 5.93 A assign (resid 55 and name HE*) (resid 57 and name HB1) 4.15 2.35 2.35 ! 0.8204 1865:20 Ambig 2.17, 5.78 A or (resid 55 and name HD*) (resid 57 and name HB1) ! 0.1796 1865:20 ----- 2.80, 6.03 A assign (resid 57 and name HD2) (resid 57 and name HB2) 3.65 1.85 1.85 ! 0.0000 1866:20 Intra 2.77, 3.56 A assign (resid 76 and name HN) (resid 73 and name HA) 3.65 1.85 1.85 ! 0.9906 1867:20 Mid 3.29, 3.57 A assign (resid 91 and name HN) (resid 90 and name HA) 3.65 1.85 1.85 ! 0.9171 1868:20 Ambig 3.48, 3.53 A or (resid 64 and name HD21) (resid 90 and name HA) ! 0.0829 1868:20 ----- 5.19, 7.11 A assign (resid 73 and name HB) (resid 73 and name HA) 3.15 1.35 1.35 ! 0.9428 1869:20 Ambig 3.03, 3.03 A or (resid 74 and name HE*) (resid 73 and name HA) ! 0.0516 1869:20 ----- 4.91, 6.04 A assign (resid 107 and name HB2) (resid 16 and name HA) 4.15 2.35 2.35 ! 0.0000 1870:20 Long 5.78, 6.34 A assign (resid 85 and name HB*) (resid 91 and name HA) 3.65 1.85 1.85 ! 0.8893 1871:20 Ambig 3.28, 4.30 A or (resid 83 and name HG) (resid 91 and name HA) ! 0.1107 1871:20 ----- 4.64, 5.05 A assign (resid 91 and name HG11) (resid 91 and name HA) 3.15 1.35 1.35 ! 0.0000 1872:20 Intra 2.86, 2.93 A assign (resid 65 and name HN) (resid 70 and name HB*) 3.65 1.85 1.85 ! 0.5848 1873:20 Ambig 5.10, 6.83 A or (resid 47 and name HN) (resid 44 and name HB*) ! 0.4152 1873:20 ----- 5.40, 5.61 A assign (resid 10 and name HE*) (resid 6 and name HB2) 4.15 2.35 2.35 ! 0.0000 1874:20 Mid 6.02, 7.92 A assign (resid 33 and name HA) (resid 33 and name HB*) 2.65 0.85 0.85 ! 0.9490 1875:20 Ambig 2.38, 2.69 A or (resid 34 and name HA) (resid 33 and name HB*) ! 0.0302 1875:20 ----- 4.22, 4.74 A assign (resid 56 and name HA) (resid 56 and name HB1) 2.65 0.85 0.85 ! 0.0000 1876:20 Intra 2.31, 2.52 A assign (resid 37 and name HB*) (resid 34 and name HA) 3.15 1.35 1.35 ! 0.9903 1878:20 Mid 2.64, 4.67 A assign (resid 34 and name HB1) (resid 34 and name HA) 2.65 0.85 0.85 ! 0.0000 1879:20 Intra 3.02, 3.03 A assign (resid 37 and name HG2) (resid 34 and name HA) 3.15 1.35 1.35 ! 0.9951 1880:20 Mid 2.01, 2.42 A assign (resid 108 and name HD2*) (resid 19 and name HB2) 2.65 0.85 0.85 ! 0.7068 1881:20 Ambig 2.19, 3.42 A or (resid 50 and name HG1*) (resid 50 and name HA) ! 0.2902 1881:20 ----- 2.54, 3.16 A assign (resid 50 and name HG2*) (resid 50 and name HA) 2.65 0.85 0.85 ! 0.9255 1882:20 Ambig 2.46, 3.13 A or (resid 51 and name HG2*) (resid 50 and name HA) ! 0.0692 1882:20 ----- 3.79, 4.89 A assign (resid 41 and name HN) (resid 40 and name HA) 3.65 1.85 1.85 ! 0.0000 1883:20 Seq 2.19, 2.29 A assign (resid 71 and name HG2) (resid 71 and name HA) 3.15 1.35 1.35 ! 0.0000 1885:20 Intra 3.05, 3.36 A assign (resid 2 and name HN) (resid 1 and name HA) 3.65 1.85 1.85 ! 0.0000 1886:20 Seq 2.16, 2.26 A assign (resid 36 and name HN) (resid 35 and name HA) 3.65 1.85 1.85 ! 0.0000 1887:20 Seq 3.49, 3.53 A assign (resid 1 and name HG1) (resid 1 and name HA) 3.65 1.85 1.85 ! 0.0000 1888:20 Intra 2.50, 2.59 A assign (resid 50 and name HG2*) (resid 45 and name HA) 3.15 1.35 1.35 ! 0.0000 1889:20 Long 2.89, 3.78 A assign (resid 102 and name HG2*) (resid 103 and name HD2) 3.65 1.85 1.85 ! 0.0000 1890:20 Seq 2.75, 3.91 A assign (resid 76 and name HB*) (resid 83 and name HB1) 3.15 1.35 1.35 ! 0.7513 1893:20 Ambig 3.99, 4.56 A or (resid 82 and name HB*) (resid 83 and name HB1) ! 0.1332 1893:20 ----- 5.33, 6.59 A or (resid 84 and name HG11) (resid 83 and name HB1) ! 0.0935 1893:20 ----- 5.65, 5.74 A assign (resid 83 and name HG) (resid 83 and name HB1) 3.15 1.35 1.35 ! 0.9712 1894:20 Intra 2.48, 2.51 A assign (resid 113 and name HN) (resid 112 and name HB*) 3.65 1.85 1.85 ! 0.0000 1895:20 Seq 2.17, 3.81 A assign (resid 107 and name HN) (resid 107 and name HB2) 3.15 1.35 1.35 ! 0.9844 1896:20 Intra 2.34, 2.44 A assign (resid 108 and name HN) (resid 107 and name HB2) 3.65 1.85 1.85 ! 0.5520 1897:20 Ambig 3.67, 3.77 A or (resid 31 and name HN) (resid 30 and name HB1) ! 0.4480 1897:20 ----- 3.80, 3.88 A assign (resid 107 and name HN) (resid 107 and name HB1) 3.65 1.85 1.85 ! 0.9770 1898:20 Intra 2.40, 2.51 A assign (resid 108 and name HN) (resid 107 and name HB1) 3.65 1.85 1.85 ! 0.0000 1899:20 Seq 2.36, 2.51 A assign (resid 27 and name HN) (resid 27 and name HB) 3.65 1.85 1.85 ! 0.9165 1900:20 Ambig 2.73, 3.04 A or (resid 5 and name HN) (resid 27 and name HB) ! 0.0835 1900:20 ----- 4.07, 4.31 A assign (resid 28 and name HN) (resid 27 and name HB) 3.65 1.85 1.85 ! 0.0000 1901:20 Seq 3.97, 4.09 A assign (resid 14 and name HN) (resid 13 and name HB2) 3.65 1.85 1.85 ! 0.9934 1902:20 Seq 2.25, 3.18 A assign (resid 108 and name HN) (resid 108 and name HB2) 3.15 1.35 1.35 ! 0.9821 1903:20 Intra 2.45, 2.50 A assign (resid 108 and name HN) (resid 108 and name HB1) 3.15 1.35 1.35 ! 0.8852 1904:20 Ambig 3.57, 3.61 A or (resid 110 and name HN) (resid 108 and name HB1) ! 0.1148 1904:20 ----- 5.02, 5.33 A assign (resid 102 and name HN) (resid 102 and name HB) 3.65 1.85 1.85 ! 0.0000 1905:20 Intra 3.77, 3.83 A assign (resid 48 and name HN) (resid 48 and name HD2) 3.65 1.85 1.85 ! 0.9728 1906:20 Intra 3.96, 4.15 A assign (resid 94 and name HN) (resid 91 and name HA) 3.65 1.85 1.85 ! 0.6205 1907:20 Ambig 3.66, 3.88 A or (resid 95 and name HN) (resid 91 and name HA) ! 0.3609 1907:20 ----- 4.01, 4.19 A assign (resid 92 and name HN) (resid 91 and name HA) 3.65 1.85 1.85 ! 0.8180 1908:20 Ambig 3.50, 3.53 A or (resid 93 and name HN) (resid 91 and name HA) ! 0.1820 1908:20 ----- 4.50, 4.71 A assign (resid 46 and name HN) (resid 45 and name HA) 3.15 1.35 1.35 ! 0.0000 1909:20 Seq 3.51, 3.54 A assign (resid 60 and name HB2) (resid 60 and name HD1) 3.15 1.35 1.35 ! 0.0000 1912:20 Intra 3.84, 3.92 A assign (resid 65 and name HB2) (resid 66 and name HD1) 3.65 1.85 1.85 ! 0.9708 1913:20 Seq 4.07, 4.53 A assign (resid 66 and name HB2) (resid 66 and name HD1) 3.65 1.85 1.85 ! 0.0000 1914:20 Intra 3.82, 3.91 A assign (resid 68 and name HE*) (resid 66 and name HD1) 3.65 1.85 1.85 ! 0.6746 1915:20 Ambig 4.61, 6.20 A or (resid 69 and name HN) (resid 66 and name HD1) ! 0.3254 1915:20 ----- 5.21, 5.44 A assign (resid 63 and name HN) (resid 63 and name HA1) 3.15 1.35 1.35 ! 0.0000 1916:20 Intra 2.25, 2.36 A assign (resid 36 and name HD1*) (resid 39 and name HA2) 3.65 1.85 1.85 ! 0.6885 1917:20 Ambig 5.22, 6.55 A or (resid 40 and name HD1*) (resid 39 and name HA2) ! 0.1712 1917:20 ----- 6.59, 7.09 A or (resid 50 and name HG1*) (resid 49 and name HA1) ! 0.1403 1917:20 ----- 6.81, 7.26 A assign (resid 40 and name HB) (resid 39 and name HA2) 3.65 1.85 1.85 ! 0.2890 1918:20 Ambig 5.18, 5.29 A or (resid 17 and name HG) (resid 49 and name HA1) ! 0.2507 1918:20 ----- 5.31, 6.36 A or (resid 50 and name HB) (resid 49 and name HA1) ! 0.1564 1918:20 ----- 5.74, 5.83 A or (resid 51 and name HG12) (resid 49 and name HA1) ! 0.0823 1918:20 ----- 6.39, 6.80 A or (resid 42 and name HB) (resid 39 and name HA2) ! 0.0711 1918:20 ----- 6.55, 7.37 A or (resid 17 and name HB2) (resid 49 and name HA1) ! 0.0706 1918:20 ----- 6.56, 7.89 A or (resid 24 and name HB2) (resid 49 and name HA1) ! 0.0409 1918:20 ----- 7.18, 7.85 A assign (resid 83 and name HN) (resid 83 and name HB1) 3.65 1.85 1.85 ! 0.9886 1919:20 Intra 2.54, 2.61 A assign (resid 102 and name HN) (resid 83 and name HB1) 3.65 1.85 1.85 ! 0.6111 1920:20 Ambig 3.72, 3.89 A or (resid 84 and name HN) (resid 83 and name HB1) ! 0.3889 1920:20 ----- 4.01, 4.15 A assign (resid 83 and name HA) (resid 83 and name HB1) 3.65 1.85 1.85 ! 0.0000 1921:20 Intra 3.01, 3.02 A assign (resid 83 and name HN) (resid 83 and name HB2) 3.65 1.85 1.85 ! 0.9881 1922:20 Intra 2.86, 2.93 A assign (resid 4 and name HN) (resid 82 and name HB*) 3.65 1.85 1.85 ! 0.0000 1923:20 Long 3.61, 4.42 A assign (resid 1 and name HE*) (resid 82 and name HB*) 3.65 1.85 1.85 ! 0.9805 1924:20 Long 2.04, 4.16 A assign (resid 107 and name HD2*) (resid 82 and name HB*) 3.65 1.85 1.85 ! 0.6055 1925:20 Ambig 3.87, 5.79 A or (resid 84 and name HG12) (resid 82 and name HB*) ! 0.3945 1925:20 ----- 4.16, 5.34 A assign (resid 53 and name HN) (resid 53 and name HD1) 4.15 2.35 2.35 ! 0.0000 1927:20 Intra 4.92, 5.34 A assign (resid 79 and name HN) (resid 79 and name HB1) 3.65 1.85 1.85 ! 0.9802 1928:20 Intra 3.57, 3.61 A assign (resid 79 and name HN) (resid 79 and name HB2) 3.65 1.85 1.85 ! 0.9899 1929:20 Intra 2.40, 2.47 A assign (resid 10 and name HA) (resid 13 and name HB1) 3.65 1.85 1.85 ! 0.0000 1930:20 Mid 2.93, 4.41 A assign (resid 87 and name HN) (resid 87 and name HB1) 3.65 1.85 1.85 ! 0.0000 1931:20 Intra 2.49, 2.58 A assign (resid 87 and name HN) (resid 87 and name HB2) 3.65 1.85 1.85 ! 0.0000 1932:20 Intra 2.56, 2.78 A assign (resid 87 and name HA) (resid 87 and name HB2) 3.15 1.35 1.35 ! 0.9963 1933:20 Intra 2.41, 2.46 A assign (resid 87 and name HA) (resid 87 and name HB1) 3.65 1.85 1.85 ! 0.0000 1934:20 Intra 3.01, 3.02 A assign (resid 90 and name HG2*) (resid 87 and name HB2) 3.65 1.85 1.85 ! 0.0000 1935:20 Mid 3.43, 4.12 A assign (resid 90 and name HG2*) (resid 87 and name HB1) 3.15 1.35 1.35 ! 0.0000 1936:20 Mid 1.97, 2.78 A assign (resid 65 and name HD2*) (resid 87 and name HB1) 3.65 1.85 1.85 ! 0.5669 1937:20 Ambig 3.63, 5.20 A or (resid 90 and name HG1*) (resid 87 and name HB1) ! 0.4331 1937:20 ----- 3.80, 4.60 A assign (resid 65 and name HD2*) (resid 87 and name HB2) 4.15 2.35 2.35 ! 0.6106 1938:20 Ambig 4.75, 6.14 A or (resid 90 and name HG1*) (resid 87 and name HB2) ! 0.3894 1938:20 ----- 5.12, 6.14 A assign (resid 107 and name HA) (resid 107 and name HB1) 3.65 1.85 1.85 ! 0.8483 1939:20 Ambig 3.02, 3.03 A or (resid 108 and name HA) (resid 107 and name HB1) ! 0.1219 1939:20 ----- 4.17, 4.31 A assign (resid 104 and name HA) (resid 107 and name HB1) 3.65 1.85 1.85 ! 0.0000 1940:20 Mid 2.05, 2.55 A assign (resid 62 and name HA) (resid 93 and name HE2) 3.65 1.85 1.85 ! 0.9544 1941:20 Long 2.13, 5.51 A assign (resid 104 and name HA) (resid 107 and name HB2) 3.65 1.85 1.85 ! 0.9962 1942:20 Mid 2.73, 3.06 A assign (resid 3 and name HN) (resid 2 and name HB*) 3.15 1.35 1.35 ! 0.9913 1943:20 Seq 2.48, 3.26 A assign (resid 52 and name HA) (resid 51 and name HB) 3.65 1.85 1.85 ! 0.5387 1944:20 Ambig 4.41, 4.57 A or (resid 26 and name HA) (resid 51 and name HB) ! 0.4613 1944:20 ----- 4.53, 4.65 A assign (resid 17 and name HN) (resid 17 and name HB1) 3.65 1.85 1.85 ! 0.9907 1945:20 Intra 2.29, 2.47 A assign (resid 65 and name HG) (resid 65 and name HB2) 3.65 1.85 1.85 ! 0.9583 1946:20 Intra 2.42, 2.47 A assign (resid 65 and name HA) (resid 65 and name HB2) 3.65 1.85 1.85 ! 0.9830 1947:20 Intra 2.99, 3.01 A assign (resid 5 and name HN) (resid 5 and name HB) 3.15 1.35 1.35 ! 0.9810 1948:20 Intra 2.46, 2.51 A assign (resid 24 and name HN) (resid 23 and name HB2) 3.65 1.85 1.85 ! 0.0000 1949:20 Seq 3.64, 3.87 A assign (resid 23 and name HN) (resid 23 and name HB2) 3.65 1.85 1.85 ! 0.0000 1950:20 Intra 2.37, 2.55 A assign (resid 25 and name HD*) (resid 5 and name HB) 4.15 2.35 2.35 ! 0.0000 1951:20 Long 4.58, 7.05 A assign (resid 10 and name HE*) (resid 5 and name HB) 3.65 1.85 1.85 ! 0.0000 1952:20 Long 2.78, 5.32 A assign (resid 77 and name HD*) (resid 77 and name HB2) 3.15 1.35 1.35 ! 0.0000 1953:20 Intra 2.43, 3.05 A assign (resid 74 and name HA) (resid 77 and name HB2) 3.65 1.85 1.85 ! 0.0000 1954:20 Mid 2.81, 3.03 A assign (resid 77 and name HA) (resid 77 and name HB2) 3.65 1.85 1.85 ! 0.9953 1955:20 Intra 2.43, 2.46 A assign (resid 77 and name HD*) (resid 77 and name HB1) 3.65 1.85 1.85 ! 0.0000 1958:20 Intra 2.29, 3.02 A assign (resid 16 and name HN) (resid 15 and name HG2) 3.65 1.85 1.85 ! 0.0000 1959:20 Seq 4.74, 4.91 A assign (resid 16 and name HN) (resid 15 and name HG1) 3.65 1.85 1.85 ! 0.0000 1960:20 Seq 4.03, 4.25 A assign (resid 103 and name HA) (resid 104 and name HB) 3.65 1.85 1.85 ! 0.8166 1961:20 Ambig 4.53, 4.69 A or (resid 103 and name HA) (resid 91 and name HB) ! 0.1834 1961:20 ----- 5.81, 6.35 A assign (resid 86 and name HA) (resid 104 and name HB) 3.65 1.85 1.85 ! 0.7777 1962:20 Ambig 4.64, 4.93 A or (resid 86 and name HA) (resid 91 and name HB) ! 0.1479 1962:20 ----- 6.12, 6.59 A or (resid 84 and name HA) (resid 104 and name HB) ! 0.0744 1962:20 ----- 6.86, 7.06 A assign (resid 5 and name HA) (resid 84 and name HB) 3.15 1.35 1.35 ! 0.0000 1963:20 Long 2.20, 2.47 A assign (resid 33 and name HA) (resid 36 and name HB) 3.15 1.35 1.35 ! 0.0000 1964:20 Mid 2.40, 2.66 A assign (resid 33 and name HB*) (resid 36 and name HB) 3.65 1.85 1.85 ! 0.5292 1965:20 Ambig 4.06, 4.91 A or (resid 37 and name HA) (resid 36 and name HB) ! 0.4708 1965:20 ----- 4.14, 4.29 A assign (resid 16 and name HB) (resid 20 and name HB1) 3.65 1.85 1.85 ! 0.8730 1966:20 Ambig 2.77, 4.11 A or (resid 107 and name HG) (resid 20 and name HB1) ! 0.0531 1966:20 ----- 4.42, 5.01 A or (resid 21 and name HD*) (resid 20 and name HB1) ! 0.0529 1966:20 ----- 4.42, 6.92 A assign (resid 16 and name HB) (resid 20 and name HB2) 3.65 1.85 1.85 ! 0.3586 1967:20 Ambig 3.00, 4.41 A or (resid 93 and name HG2) (resid 92 and name HB1) ! 0.3362 1967:20 ----- 3.03, 5.25 A or (resid 88 and name HD*) (resid 92 and name HB1) ! 0.1273 1967:20 ----- 3.56, 7.29 A or (resid 107 and name HG) (resid 20 and name HB2) ! 0.0578 1967:20 ----- 4.06, 4.91 A or (resid 108 and name HB1) (resid 20 and name HB2) ! 0.0402 1967:20 ----- 4.32, 5.91 A or (resid 93 and name HD1) (resid 92 and name HB1) ! 0.0304 1967:20 ----- 4.52, 6.41 A assign (resid 103 and name HA) (resid 86 and name HG2) 3.65 1.85 1.85 ! 0.9865 1968:20 Long 3.45, 4.38 A assign (resid 103 and name HA) (resid 86 and name HG1) 4.15 2.35 2.35 ! 0.0000 1969:20 Long 4.93, 5.79 A assign (resid 87 and name HN) (resid 86 and name HG2) 3.65 1.85 1.85 ! 0.0000 1970:20 Seq 4.63, 4.73 A assign (resid 87 and name HN) (resid 86 and name HG1) 3.65 1.85 1.85 ! 0.0000 1971:20 Seq 4.67, 5.36 A assign (resid 86 and name HN) (resid 86 and name HG1) 3.65 1.85 1.85 ! 0.0000 1972:20 Intra 3.12, 4.00 A assign (resid 107 and name HN) (resid 106 and name HG1) 3.65 1.85 1.85 ! 0.0000 1973:20 Seq 3.74, 4.50 A assign (resid 79 and name HN) (resid 78 and name HG2) 3.65 1.85 1.85 ! 0.0000 1974:20 Seq 3.17, 4.14 A assign (resid 26 and name HN) (resid 26 and name HB) 3.65 1.85 1.85 ! 0.9979 1975:20 Intra 2.56, 2.63 A assign (resid 5 and name HN) (resid 26 and name HB) 3.65 1.85 1.85 ! 0.5597 1976:20 Ambig 3.72, 3.95 A or (resid 27 and name HN) (resid 26 and name HB) ! 0.4187 1976:20 ----- 3.90, 3.98 A assign (resid 10 and name HD*) (resid 10 and name HB1) 3.15 1.35 1.35 ! 0.0000 1977:20 Intra 2.24, 3.06 A assign (resid 10 and name HD*) (resid 10 and name HB2) 3.15 1.35 1.35 ! 0.0000 1978:20 Intra 2.47, 3.06 A assign (resid 10 and name HN) (resid 10 and name HB2) 3.65 1.85 1.85 ! 0.9990 1979:20 Intra 2.24, 2.39 A assign (resid 10 and name HN) (resid 10 and name HB1) 3.15 1.35 1.35 ! 0.9594 1980:20 Intra 3.52, 3.60 A assign (resid 40 and name HG2*) (resid 10 and name HB2) 4.15 2.35 2.35 ! 0.8405 1981:20 Ambig 2.92, 4.82 A or (resid 13 and name HD1*) (resid 10 and name HB2) ! 0.1078 1981:20 ----- 4.11, 6.02 A or (resid 13 and name HD2*) (resid 10 and name HB2) ! 0.0517 1981:20 ----- 4.65, 6.45 A assign (resid 40 and name HG2*) (resid 10 and name HB1) 3.65 1.85 1.85 ! 0.9029 1982:20 Ambig 1.89, 3.24 A or (resid 13 and name HD1*) (resid 10 and name HB1) ! 0.0700 1982:20 ----- 2.89, 4.93 A assign (resid 40 and name HD1*) (resid 10 and name HB2) 3.65 1.85 1.85 ! 0.0000 1983:20 Long 2.62, 3.61 A assign (resid 40 and name HD1*) (resid 10 and name HB1) 3.65 1.85 1.85 ! 0.0000 1984:20 Long 1.95, 3.17 A assign (resid 79 and name HD2*) (resid 78 and name HG2) 3.65 1.85 1.85 ! 0.0000 1985:20 Seq 2.57, 5.48 A assign (resid 79 and name HD2*) (resid 78 and name HG1) 3.65 1.85 1.85 ! 0.0000 1986:20 Seq 2.91, 5.56 A assign (resid 53 and name HB2) (resid 26 and name HB) 3.65 1.85 1.85 ! 0.3860 1987:20 Ambig 4.81, 5.31 A or (resid 81 and name HB*) (resid 26 and name HB) ! 0.2711 1987:20 ----- 5.10, 5.53 A or (resid 24 and name HG1) (resid 26 and name HB) ! 0.2054 1987:20 ----- 5.34, 5.87 A or (resid 24 and name HB1) (resid 26 and name HB) ! 0.1038 1987:20 ----- 5.99, 6.40 A assign (resid 26 and name HA) (resid 26 and name HB) 3.65 1.85 1.85 ! 0.9735 1988:20 Intra 3.02, 3.02 A assign (resid 4 and name HA) (resid 26 and name HB) 3.15 1.35 1.35 ! 0.9833 1989:20 Long 2.24, 2.38 A assign (resid 25 and name HA) (resid 26 and name HB) 3.65 1.85 1.85 ! 0.7594 1990:20 Ambig 4.30, 4.44 A or (resid 2 and name HA) (resid 26 and name HB) ! 0.2406 1990:20 ----- 5.21, 5.59 A assign (resid 68 and name HA) (resid 68 and name HB*) 3.15 1.35 1.35 ! 0.7932 1991:20 Ambig 2.30, 2.45 A or (resid 31 and name HA2) (resid 68 and name HB*) ! 0.2068 1991:20 ----- 2.88, 4.24 A assign (resid 30 and name HD2*) (resid 68 and name HB*) 3.65 1.85 1.85 ! 0.6277 1992:20 Ambig 3.42, 5.38 A or (resid 7 and name HB1) (resid 68 and name HB*) ! 0.3723 1992:20 ----- 3.74, 4.69 A assign (resid 30 and name HB1) (resid 68 and name HB*) 3.15 1.35 1.35 ! 0.5069 1993:20 Ambig 1.98, 2.57 A or (resid 7 and name HG*) (resid 68 and name HB*) ! 0.4910 1993:20 ----- 2.00, 3.51 A assign (resid 23 and name HA) (resid 1 and name HB*) 3.15 1.35 1.35 ! 0.9640 1995:20 Long 3.20, 4.68 A assign (resid 53 and name HD1) (resid 53 and name HB1) 3.65 1.85 1.85 ! 0.9975 1996:20 Intra 2.45, 3.47 A assign (resid 53 and name HD1) (resid 53 and name HB2) 3.65 1.85 1.85 ! 0.0000 1997:20 Intra 2.37, 2.81 A assign (resid 53 and name HD2) (resid 53 and name HB2) 3.65 1.85 1.85 ! 0.0000 1998:20 Intra 2.38, 2.98 A assign (resid 53 and name HD2) (resid 53 and name HB1) 3.65 1.85 1.85 ! 0.9904 1999:20 Intra 2.45, 3.52 A assign (resid 53 and name HA) (resid 53 and name HB1) 3.15 1.35 1.35 ! 0.0000 2000:20 Intra 3.01, 3.02 A assign (resid 53 and name HA) (resid 53 and name HB2) 3.65 1.85 1.85 ! 0.9979 2001:20 Intra 2.39, 2.47 A assign (resid 53 and name HN) (resid 53 and name HB1) 3.65 1.85 1.85 ! 0.9932 2002:20 Intra 2.56, 2.71 A assign (resid 54 and name HN) (resid 53 and name HB1) 3.65 1.85 1.85 ! 0.9716 2003:20 Seq 3.74, 4.11 A assign (resid 53 and name HN) (resid 53 and name HB2) 3.65 1.85 1.85 ! 0.9614 2004:20 Intra 2.86, 3.17 A assign (resid 54 and name HN) (resid 53 and name HB2) 3.65 1.85 1.85 ! 0.9215 2005:20 Ambig 4.04, 4.18 A or (resid 51 and name HN) (resid 53 and name HB2) ! 0.0785 2005:20 ----- 6.09, 6.61 A assign (resid 67 and name HE21) (resid 67 and name HG1) 3.65 1.85 1.85 ! 0.9914 2006:20 Intra 2.19, 3.07 A assign (resid 67 and name HE21) (resid 67 and name HG2) 3.65 1.85 1.85 ! 0.9939 2007:20 Intra 2.17, 2.64 A assign (resid 4 and name HG2*) (resid 75 and name HB) 3.15 1.35 1.35 ! 0.9055 2008:20 Ambig 3.34, 4.38 A or (resid 74 and name HB2) (resid 75 and name HB) ! 0.0945 2008:20 ----- 4.87, 5.09 A assign (resid 67 and name HE22) (resid 67 and name HG1) 3.65 1.85 1.85 ! 0.0000 2011:20 Intra 3.44, 3.86 A assign (resid 68 and name HN) (resid 67 and name HG1) 3.65 1.85 1.85 ! 0.0000 2012:20 Seq 2.84, 4.68 A assign (resid 68 and name HN) (resid 67 and name HG2) 3.65 1.85 1.85 ! 0.0000 2013:20 Seq 3.03, 4.53 A assign (resid 67 and name HE22) (resid 67 and name HG2) 3.65 1.85 1.85 ! 0.0000 2014:20 Intra 3.44, 3.66 A assign (resid 68 and name HA) (resid 67 and name HG1) 3.65 1.85 1.85 ! 0.6355 2015:20 Ambig 3.51, 5.79 A or (resid 66 and name HA) (resid 67 and name HG1) ! 0.3645 2015:20 ----- 3.85, 5.31 A assign (resid 105 and name HN) (resid 103 and name HB1) 3.65 1.85 1.85 ! 0.0000 2017:20 Mid 3.51, 4.02 A assign (resid 105 and name HN) (resid 103 and name HB2) 3.65 1.85 1.85 ! 0.0000 2018:20 Mid 2.66, 2.91 A assign (resid 66 and name HD2) (resid 66 and name HB2) 3.65 1.85 1.85 ! 0.9697 2019:20 Intra 2.83, 3.15 A assign (resid 66 and name HD1) (resid 66 and name HB2) 3.65 1.85 1.85 ! 0.0000 2020:20 Intra 3.82, 3.91 A assign (resid 2 and name HA) (resid 24 and name HB2) 3.15 1.35 1.35 ! 0.0000 2021:20 Long 3.45, 3.87 A assign (resid 2 and name HA) (resid 24 and name HB1) 3.65 1.85 1.85 ! 0.0000 2022:20 Long 2.05, 2.39 A assign (resid 12 and name HA) (resid 12 and name HB2) 3.15 1.35 1.35 ! 0.0000 2023:20 Intra 2.97, 3.01 A assign (resid 60 and name HD1) (resid 60 and name HB2) 3.15 1.35 1.35 ! 0.0000 2024:20 Intra 3.84, 3.92 A assign (resid 60 and name HD2) (resid 60 and name HB2) 3.15 1.35 1.35 ! 0.0000 2025:20 Intra 2.86, 3.41 A assign (resid 106 and name HN) (resid 103 and name HB1) 3.65 1.85 1.85 ! 0.9032 2026:20 Ambig 4.02, 4.46 A or (resid 77 and name HD*) (resid 74 and name HG2) ! 0.0968 2026:20 ----- 5.83, 6.90 A assign (resid 106 and name HN) (resid 103 and name HB2) 3.65 1.85 1.85 ! 0.0000 2027:20 Mid 2.40, 2.84 A assign (resid 55 and name HE*) (resid 74 and name HG1) 3.15 1.35 1.35 ! 0.6741 2028:20 Ambig 3.10, 5.05 A or (resid 55 and name HD*) (resid 74 and name HG1) ! 0.3259 2028:20 ----- 3.49, 5.23 A assign (resid 34 and name HD*) (resid 37 and name HB*) 4.15 2.35 2.35 ! 0.0000 2029:20 Mid 3.49, 7.27 A assign (resid 74 and name HA) (resid 74 and name HG2) 3.65 1.85 1.85 ! 0.0000 2030:20 Intra 2.63, 2.87 A assign (resid 25 and name HN) (resid 24 and name HB1) 3.65 1.85 1.85 ! 0.0000 2031:20 Seq 4.14, 4.34 A assign (resid 3 and name HN) (resid 24 and name HB1) 3.65 1.85 1.85 ! 0.0000 2032:20 Long 3.54, 3.87 A assign (resid 55 and name HE*) (resid 74 and name HG2) 4.15 2.35 2.35 ! 0.7395 2033:20 Ambig 4.21, 6.10 A or (resid 55 and name HD*) (resid 74 and name HG2) ! 0.2605 2033:20 ----- 5.00, 6.34 A assign (resid 75 and name HN) (resid 74 and name HG2) 3.65 1.85 1.85 ! 0.7511 2034:20 Ambig 4.39, 4.57 A or (resid 77 and name HN) (resid 74 and name HG2) ! 0.1747 2034:20 ----- 5.60, 5.85 A or (resid 78 and name HN) (resid 74 and name HG2) ! 0.0742 2034:20 ----- 6.45, 6.72 A assign (resid 2 and name HB*) (resid 24 and name HB1) 3.65 1.85 1.85 ! 0.5952 2036:20 Ambig 3.48, 4.36 A or (resid 24 and name HE*) (resid 24 and name HB1) ! 0.4048 2036:20 ----- 3.71, 4.52 A assign (resid 26 and name HG2*) (resid 24 and name HB1) 3.15 1.35 1.35 ! 0.6352 2037:20 Ambig 3.62, 4.50 A or (resid 51 and name HD1*) (resid 24 and name HB1) ! 0.3186 2037:20 ----- 4.06, 5.25 A assign (resid 57 and name HD2) (resid 57 and name HB1) 3.65 1.85 1.85 ! 0.0000 2040:20 Intra 2.78, 3.39 A assign (resid 82 and name HN) (resid 1 and name HG2) 3.65 1.85 1.85 ! 0.9864 2041:20 Long 2.68, 3.27 A assign (resid 1 and name HA) (resid 1 and name HG2) 3.65 1.85 1.85 ! 0.0000 2043:20 Intra 3.03, 3.10 A assign (resid 32 and name HA) (resid 32 and name HB) 3.15 1.35 1.35 ! 0.0000 2044:20 Intra 2.44, 2.47 A assign (resid 29 and name HA) (resid 32 and name HB) 3.65 1.85 1.85 ! 0.8844 2045:20 Ambig 4.88, 5.07 A or (resid 35 and name HA) (resid 32 and name HB) ! 0.1156 2045:20 ----- 6.86, 7.16 A assign (resid 82 and name HB*) (resid 1 and name HG2) 3.65 1.85 1.85 ! 0.7535 2046:20 Ambig 2.85, 4.00 A or (resid 82 and name HG) (resid 1 and name HG2) ! 0.2295 2046:20 ----- 3.48, 4.98 A assign (resid 82 and name HB*) (resid 1 and name HG1) 3.65 1.85 1.85 ! 0.8163 2047:20 Ambig 4.28, 5.43 A or (resid 79 and name HB1) (resid 1 and name HG1) ! 0.1225 2047:20 ----- 5.88, 6.34 A or (resid 24 and name HB1) (resid 1 and name HG1) ! 0.0612 2047:20 ----- 6.60, 7.22 A assign (resid 98 and name HN) (resid 99 and name HB) 3.15 1.35 1.35 ! 0.5243 2048:20 Ambig 4.35, 4.50 A or (resid 39 and name HN) (resid 37 and name HB*) ! 0.2925 2048:20 ----- 4.80, 5.55 A or (resid 96 and name HN) (resid 99 and name HB) ! 0.1242 2048:20 ----- 5.53, 5.79 A or (resid 92 and name HD21) (resid 88 and name HB*) ! 0.0590 2048:20 ----- 6.26, 7.89 A assign (resid 76 and name HN) (resid 75 and name HB) 3.15 1.35 1.35 ! 0.0000 2049:20 Seq 2.51, 2.76 A assign (resid 91 and name HN) (resid 90 and name HB) 3.65 1.85 1.85 ! 0.0000 2050:20 Seq 2.27, 2.43 A assign (resid 91 and name HN) (resid 91 and name HG11) 3.65 1.85 1.85 ! 0.0000 2051:20 Intra 2.04, 2.13 A assign (resid 91 and name HA) (resid 91 and name HG11) 3.65 1.85 1.85 ! 0.0000 2052:20 Intra 2.86, 2.93 A assign (resid 85 and name HB*) (resid 91 and name HG11) 4.15 2.35 2.35 ! 0.9950 2053:20 Long 2.32, 3.29 A assign (resid 101 and name HB*) (resid 91 and name HG11) 3.65 1.85 1.85 ! 0.0000 2054:20 Long 3.62, 4.97 A assign (resid 17 and name HD1*) (resid 48 and name HB2) 3.15 1.35 1.35 ! 0.9262 2055:20 Ambig 2.46, 4.28 A or (resid 79 and name HD2*) (resid 78 and name HB2) ! 0.0738 2055:20 ----- 3.75, 6.03 A assign (resid 75 and name HG2*) (resid 78 and name HB2) 4.15 2.35 2.35 ! 0.0000 2056:20 Mid 4.17, 6.00 A assign (resid 91 and name HN) (resid 91 and name HG12) 3.15 1.35 1.35 ! 0.0000 2057:20 Intra 3.38, 3.45 A assign (resid 79 and name HN) (resid 78 and name HB1) 3.15 1.35 1.35 ! 0.0000 2058:20 Seq 2.34, 2.85 A assign (resid 91 and name HA) (resid 83 and name HD2*) 4.15 2.35 2.35 ! 0.0000 2060:20 Long 3.24, 4.52 A assign (resid 73 and name HA) (resid 73 and name HG11) 3.65 1.85 1.85 ! 0.7594 2061:20 Ambig 2.91, 3.04 A or (resid 16 and name HA) (resid 16 and name HG11) ! 0.1662 2061:20 ----- 3.74, 3.78 A or (resid 90 and name HA) (resid 73 and name HG11) ! 0.0745 2061:20 ----- 4.28, 4.83 A assign (resid 73 and name HN) (resid 73 and name HG11) 3.65 1.85 1.85 ! 0.0000 2062:20 Intra 2.02, 2.13 A assign (resid 104 and name HN) (resid 104 and name HG12) 3.15 1.35 1.35 ! 0.9166 2063:20 Ambig 3.40, 3.52 A or (resid 16 and name HN) (resid 104 and name HG12) ! 0.0834 2063:20 ----- 5.08, 5.58 A assign (resid 69 and name HN) (resid 69 and name HB2) 3.65 1.85 1.85 ! 0.9760 2064:20 Intra 2.42, 2.72 A assign (resid 55 and name HE*) (resid 78 and name HB1) 4.15 2.35 2.35 ! 0.9570 2065:20 Long 2.03, 5.79 A assign (resid 68 and name HD*) (resid 69 and name HB1) 3.65 1.85 1.85 ! 0.4439 2066:20 Ambig 2.75, 6.28 A or (resid 69 and name HN) (resid 69 and name HB1) ! 0.3683 2066:20 ----- 2.84, 3.53 A or (resid 68 and name HE*) (resid 69 and name HB1) ! 0.1878 2066:20 ----- 3.17, 6.90 A assign (resid 103 and name HA) (resid 104 and name HG11) 3.15 1.35 1.35 ! 0.0000 2067:20 Seq 3.62, 3.88 A assign (resid 95 and name HN) (resid 96 and name HB1) 4.15 2.35 2.35 ! 0.0000 2068:20 Seq 6.00, 6.09 A assign (resid 95 and name HN) (resid 96 and name HB2) 3.65 1.85 1.85 ! 0.0000 2069:20 Seq 4.55, 4.66 A assign (resid 105 and name HN) (resid 104 and name HG11) 3.65 1.85 1.85 ! 0.6324 2070:20 Ambig 4.37, 4.52 A or (resid 105 and name HN) (resid 12 and name HD1) ! 0.3676 2070:20 ----- 4.78, 6.37 A assign (resid 107 and name HB1) (resid 104 and name HG12) 3.15 1.35 1.35 ! 0.4790 2071:20 Ambig 3.87, 4.28 A or (resid 86 and name HG1) (resid 104 and name HG12) ! 0.2422 2071:20 ----- 4.34, 5.00 A or (resid 12 and name HB1) (resid 104 and name HG12) ! 0.2241 2071:20 ----- 4.39, 4.86 A or (resid 15 and name HB2) (resid 104 and name HG12) ! 0.0548 2071:20 ----- 5.55, 6.20 A assign (resid 42 and name HA) (resid 42 and name HG12) 3.65 1.85 1.85 ! 0.0000 2072:20 Intra 3.73, 3.78 A assign (resid 55 and name HE*) (resid 74 and name HB1) 3.65 1.85 1.85 ! 0.6611 2074:20 Ambig 2.55, 3.80 A or (resid 55 and name HD*) (resid 74 and name HB1) ! 0.3389 2074:20 ----- 2.85, 4.03 A assign (resid 55 and name HE*) (resid 74 and name HB2) 3.65 1.85 1.85 ! 0.5257 2075:20 Ambig 2.44, 4.83 A or (resid 55 and name HD*) (resid 74 and name HB2) ! 0.4743 2075:20 ----- 2.48, 4.37 A assign (resid 68 and name HN) (resid 67 and name HB1) 3.65 1.85 1.85 ! 0.0000 2077:20 Seq 2.59, 3.48 A assign (resid 25 and name HN) (resid 24 and name HD1) 3.65 1.85 1.85 ! 0.0000 2078:20 Seq 2.42, 4.57 A assign (resid 25 and name HN) (resid 24 and name HD2) 3.65 1.85 1.85 ! 0.0000 2079:20 Seq 2.58, 3.97 A assign (resid 88 and name HN) (resid 88 and name HD*) 3.65 1.85 1.85 ! 0.0000 2080:20 Intra 1.97, 4.14 A assign (resid 37 and name HN) (resid 36 and name HG12) 3.65 1.85 1.85 ! 0.0000 2081:20 Seq 4.13, 4.30 A assign (resid 5 and name HA) (resid 83 and name HD2*) 3.65 1.85 1.85 ! 0.3823 2082:20 Ambig 6.15, 7.24 A or (resid 95 and name HA) (resid 83 and name HD2*) ! 0.3563 2082:20 ----- 6.22, 7.27 A or (resid 74 and name HA) (resid 83 and name HD2*) ! 0.2615 2082:20 ----- 6.55, 7.77 A assign (resid 16 and name HN) (resid 15 and name HB2) 3.65 1.85 1.85 ! 0.9988 2083:20 Seq 2.18, 2.48 A assign (resid 106 and name HN) (resid 103 and name HG2) 3.65 1.85 1.85 ! 0.0000 2085:20 Mid 2.44, 3.84 A assign (resid 5 and name HN) (resid 5 and name HG12) 3.65 1.85 1.85 ! 0.9845 2086:20 Intra 2.40, 3.24 A assign (resid 84 and name HN) (resid 83 and name HG) 3.65 1.85 1.85 ! 0.9537 2087:20 Seq 2.61, 3.02 A assign (resid 84 and name HN) (resid 84 and name HG11) 3.15 1.35 1.35 ! 0.9814 2088:20 Intra 2.33, 2.45 A assign (resid 103 and name HA) (resid 103 and name HG1) 3.65 1.85 1.85 ! 0.7881 2089:20 Ambig 2.99, 3.40 A or (resid 25 and name HA) (resid 5 and name HG12) ! 0.2119 2089:20 ----- 3.72, 4.81 A assign (resid 4 and name HA) (resid 5 and name HG12) 3.15 1.35 1.35 ! 0.4769 2090:20 Ambig 3.57, 4.48 A or (resid 102 and name HA) (resid 103 and name HG1) ! 0.2960 2090:20 ----- 3.87, 4.17 A or (resid 27 and name HA) (resid 5 and name HG12) ! 0.2126 2090:20 ----- 4.09, 5.34 A assign (resid 26 and name HA) (resid 51 and name HG12) 3.65 1.85 1.85 ! 0.9870 2091:20 Long 2.65, 2.90 A assign (resid 83 and name HA) (resid 84 and name HG11) 3.65 1.85 1.85 ! 0.9207 2092:20 Ambig 3.44, 3.56 A or (resid 83 and name HA) (resid 82 and name HG) ! 0.0318 2092:20 ----- 6.02, 6.23 A assign (resid 26 and name HA) (resid 51 and name HG11) 3.65 1.85 1.85 ! 0.9595 2093:20 Long 2.41, 2.54 A assign (resid 83 and name HA) (resid 84 and name HG12) 3.65 1.85 1.85 ! 0.4783 2094:20 Ambig 4.73, 4.87 A or (resid 52 and name HA) (resid 27 and name HG12) ! 0.4036 2094:20 ----- 4.87, 5.58 A or (resid 26 and name HA) (resid 27 and name HG12) ! 0.1181 2094:20 ----- 5.98, 6.59 A assign (resid 23 and name HD*) (resid 107 and name HD1*) 3.65 1.85 1.85 ! 0.6046 2095:20 Ambig 3.78, 7.15 A or (resid 23 and name HE*) (resid 107 and name HD1*) ! 0.3954 2095:20 ----- 4.06, 7.31 A assign (resid 108 and name HN) (resid 107 and name HD1*) 3.65 1.85 1.85 ! 0.8488 2096:20 Ambig 3.33, 4.20 A or (resid 110 and name HN) (resid 107 and name HD1*) ! 0.1512 2096:20 ----- 4.44, 5.77 A assign (resid 20 and name HN) (resid 107 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2097:20 Long 3.54, 4.74 A assign (resid 30 and name HN) (resid 30 and name HG) 3.15 1.35 1.35 ! 0.0000 2098:20 Intra 2.24, 2.44 A assign (resid 51 and name HA) (resid 51 and name HG11) 3.15 1.35 1.35 ! 0.9705 2099:20 Intra 3.70, 3.74 A assign (resid 47 and name HB1) (resid 48 and name HG1) 3.15 1.35 1.35 ! 0.9480 2100:20 Ambig 2.73, 3.14 A or (resid 47 and name HB2) (resid 48 and name HG1) ! 0.0520 2100:20 ----- 4.44, 4.85 A assign (resid 69 and name HG1) (resid 66 and name HG2) 3.15 1.35 1.35 ! 0.9694 2101:20 Mid 2.13, 3.34 A assign (resid 69 and name HN) (resid 65 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2103:20 Mid 5.67, 7.01 A assign (resid 94 and name HN) (resid 65 and name HD1*) 3.15 1.35 1.35 ! 0.5503 2104:20 Ambig 4.39, 5.52 A or (resid 89 and name HN) (resid 65 and name HD1*) ! 0.4128 2104:20 ----- 4.60, 6.51 A assign (resid 38 and name HB2) (resid 40 and name HG12) 3.65 1.85 1.85 ! 0.0000 2105:20 Mid 3.34, 3.71 A assign (resid 103 and name HD1) (resid 103 and name HG1) 3.15 1.35 1.35 ! 0.9885 2106:20 Intra 2.26, 2.29 A assign (resid 38 and name HB2) (resid 40 and name HG11) 3.65 1.85 1.85 ! 0.0000 2107:20 Mid 1.98, 2.17 A assign (resid 81 and name HA) (resid 79 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2110:20 Mid 5.32, 6.31 A assign (resid 13 and name HN) (resid 14 and name HG1) 3.65 1.85 1.85 ! 0.7498 2112:20 Ambig 3.72, 4.21 A or (resid 13 and name HN) (resid 12 and name HG1) ! 0.2502 2112:20 ----- 4.46, 4.80 A assign (resid 93 and name HE1) (resid 93 and name HG2) 3.15 1.35 1.35 ! 0.7442 2113:20 Ambig 2.49, 3.37 A or (resid 92 and name HB1) (resid 93 and name HG2) ! 0.2296 2113:20 ----- 3.03, 5.25 A assign (resid 28 and name HA) (resid 75 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2114:20 Long 3.50, 4.79 A assign (resid 52 and name HA) (resid 32 and name HG1*) 3.15 1.35 1.35 ! 0.9007 2115:20 Ambig 4.19, 4.82 A or (resid 83 and name HA) (resid 107 and name HD2*) ! 0.0664 2115:20 ----- 6.47, 7.91 A assign (resid 28 and name HA) (resid 29 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2116:20 Seq 4.06, 5.27 A assign (resid 55 and name HN) (resid 29 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2117:20 Long 4.54, 5.89 A assign (resid 54 and name HN) (resid 29 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2118:20 Long 3.55, 4.86 A assign (resid 25 and name HA) (resid 17 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2119:20 Long 5.20, 6.34 A assign (resid 52 and name HA) (resid 28 and name HG2*) 4.15 2.35 2.35 ! 0.6765 2120:20 Ambig 5.67, 6.58 A or (resid 26 and name HA) (resid 28 and name HG2*) ! 0.3235 2120:20 ----- 6.41, 7.47 A assign (resid 29 and name HA) (resid 54 and name HB*) 3.65 1.85 1.85 ! 0.0000 2121:20 Long 4.31, 5.73 A assign (resid 28 and name HA) (resid 54 and name HB*) 3.65 1.85 1.85 ! 0.0000 2123:20 Long 4.02, 5.94 A assign (resid 55 and name HD*) (resid 54 and name HB*) 4.15 2.35 2.35 ! 0.0000 2124:20 Seq 5.13, 7.55 A assign (resid 71 and name HG1) (resid 54 and name HB*) 4.15 2.35 2.35 ! 0.0000 2125:20 Long 4.53, 6.45 A assign (resid 16 and name HG2*) (resid 9 and name HB*) 3.15 1.35 1.35 ! 0.0000 2129:20 Long 3.54, 6.41 A assign (resid 104 and name HA) (resid 9 and name HB*) 3.65 1.85 1.85 ! 0.6660 2130:20 Ambig 4.92, 6.03 A or (resid 10 and name HB2) (resid 9 and name HB*) ! 0.3340 2130:20 ----- 5.52, 6.40 A assign (resid 12 and name HN) (resid 9 and name HB*) 3.65 1.85 1.85 ! 0.0000 2131:20 Mid 5.04, 5.96 A assign (resid 10 and name HB2) (resid 5 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2132:20 Long 5.74, 6.49 A assign (resid 103 and name HA) (resid 91 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2133:20 Long 4.68, 6.16 A assign (resid 6 and name HB1) (resid 5 and name HG2*) 3.65 1.85 1.85 ! 0.8126 2134:20 Ambig 4.50, 6.04 A or (resid 31 and name HA1) (resid 5 and name HG2*) ! 0.1874 2134:20 ----- 5.75, 7.04 A assign (resid 101 and name HA) (resid 94 and name HB*) 3.65 1.85 1.85 ! 0.0000 2135:20 Long 4.45, 5.11 A assign (resid 48 and name HB2) (resid 45 and name HB*) 3.65 1.85 1.85 ! 0.0000 2136:20 Mid 4.63, 5.57 A assign (resid 102 and name HN) (resid 94 and name HB*) 4.15 2.35 2.35 ! 0.7835 2137:20 Ambig 5.92, 6.79 A or (resid 84 and name HN) (resid 94 and name HB*) ! 0.2165 2137:20 ----- 7.33, 7.76 A assign (resid 10 and name HZ) (resid 5 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2138:20 Long 4.05, 5.42 A assign (resid 34 and name HB1) (resid 35 and name HB*) 3.65 1.85 1.85 ! 0.0000 2139:20 Seq 4.11, 4.97 A assign (resid 34 and name HB2) (resid 35 and name HB*) 3.65 1.85 1.85 ! 0.0000 2140:20 Seq 5.76, 6.51 A assign (resid 5 and name HA) (resid 16 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2141:20 Long 6.30, 7.71 A assign (resid 108 and name HA) (resid 16 and name HG2*) 3.65 1.85 1.85 ! 0.6381 2142:20 Ambig 4.16, 5.69 A or (resid 19 and name HB2) (resid 16 and name HG2*) ! 0.2174 2142:20 ----- 4.98, 6.54 A or (resid 107 and name HA) (resid 16 and name HG2*) ! 0.1445 2142:20 ----- 5.33, 6.53 A assign (resid 15 and name HN) (resid 16 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2143:20 Seq 4.28, 5.56 A assign (resid 20 and name HB2) (resid 16 and name HG2*) 3.65 1.85 1.85 ! 0.6669 2145:20 Ambig 3.59, 5.64 A or (resid 20 and name HB1) (resid 16 and name HG2*) ! 0.3331 2145:20 ----- 4.03, 5.99 A assign (resid 32 and name HB) (resid 27 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2147:20 Long 4.83, 5.47 A assign (resid 84 and name HN) (resid 76 and name HB*) 3.65 1.85 1.85 ! 0.0000 2148:20 Long 5.19, 5.97 A assign (resid 81 and name HA) (resid 76 and name HB*) 3.65 1.85 1.85 ! 0.0000 2149:20 Long 5.00, 6.14 A assign (resid 77 and name HB1) (resid 76 and name HB*) 3.65 1.85 1.85 ! 0.0000 2150:20 Seq 4.86, 5.86 A assign (resid 79 and name HD1*) (resid 76 and name HB*) 3.65 1.85 1.85 ! 0.0000 2151:20 Mid 5.07, 6.93 A assign (resid 10 and name HA) (resid 40 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2152:20 Long 3.44, 4.89 A assign (resid 87 and name HN) (resid 104 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2153:20 Long 6.66, 7.75 A assign (resid 103 and name HA) (resid 104 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2154:20 Seq 5.62, 6.32 A assign (resid 52 and name HA) (resid 27 and name HD1*) 4.15 2.35 2.35 ! 0.7519 2155:20 Ambig 5.23, 6.46 A or (resid 26 and name HA) (resid 27 and name HD1*) ! 0.2481 2155:20 ----- 6.29, 7.10 A assign (resid 101 and name HA) (resid 102 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2156:20 Seq 4.30, 5.39 A assign (resid 103 and name HA) (resid 102 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2157:20 Seq 4.22, 5.29 A assign (resid 28 and name HN) (resid 27 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2158:20 Seq 1.80, 3.28 A assign (resid 34 and name HB2) (resid 27 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2159:20 Long 5.84, 7.57 A assign (resid 32 and name HB) (resid 42 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2160:20 Long 3.70, 4.99 A assign (resid 32 and name HB) (resid 36 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2161:20 Mid 3.78, 5.07 A assign (resid 87 and name HN) (resid 91 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2162:20 Mid 3.82, 4.97 A assign (resid 10 and name HD*) (resid 5 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2163:20 Long 4.65, 7.85 A assign (resid 108 and name HN) (resid 102 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2164:20 Long 4.84, 5.75 A assign (resid 50 and name HB) (resid 50 and name HA) 3.15 1.35 1.35 ! 0.6479 2166:20 Ambig 3.04, 3.05 A or (resid 51 and name HG12) (resid 50 and name HA) ! 0.1861 2166:20 ----- 3.74, 3.85 A or (resid 24 and name HD2) (resid 50 and name HA) ! 0.1254 2166:20 ----- 4.00, 5.53 A assign (resid 67 and name HE21) (resid 67 and name HA) 3.65 1.85 1.85 ! 0.7980 2167:20 Ambig 2.32, 4.31 A or (resid 70 and name HN) (resid 67 and name HA) ! 0.2020 2167:20 ----- 2.92, 3.23 A assign (resid 75 and name HG1*) (resid 76 and name HA) 2.65 0.85 0.85 ! 0.4592 2168:20 Ambig 3.45, 4.61 A or (resid 4 and name HG1*) (resid 76 and name HA) ! 0.2470 2168:20 ----- 3.82, 4.90 A or (resid 99 and name HG1*) (resid 76 and name HA) ! 0.1315 2168:20 ----- 4.25, 4.97 A or (resid 83 and name HD1*) (resid 76 and name HA) ! 0.0962 2168:20 ----- 4.47, 5.48 A or (resid 99 and name HG2*) (resid 76 and name HA) ! 0.0422 2168:20 ----- 5.13, 5.97 A assign (resid 97 and name HA) (resid 97 and name HB2) 3.15 1.35 1.35 ! 0.6923 2170:20 Ambig 3.01, 3.01 A or (resid 109 and name HA) (resid 112 and name HB*) ! 0.2656 2170:20 ----- 3.53, 7.06 A assign (resid 18 and name HA2) (resid 48 and name HD1) 3.65 1.85 1.85 ! 0.8134 2171:20 Ambig 3.68, 4.50 A or (resid 44 and name HB*) (resid 48 and name HD1) ! 0.1676 2171:20 ----- 4.79, 6.27 A assign (resid 44 and name HB*) (resid 48 and name HD2) 3.65 1.85 1.85 ! 0.8349 2172:20 Ambig 3.53, 4.79 A or (resid 18 and name HA2) (resid 48 and name HD2) ! 0.1498 2172:20 ----- 4.70, 5.46 A assign (resid 48 and name HG2) (resid 48 and name HD1) 2.65 0.85 0.85 ! 0.8766 2174:20 Ambig 2.35, 2.42 A or (resid 17 and name HB2) (resid 48 and name HD1) ! 0.1152 2174:20 ----- 3.30, 5.72 A assign (resid 17 and name HB2) (resid 48 and name HD2) 2.65 0.85 0.85 ! 0.6295 2175:20 Ambig 2.73, 5.05 A or (resid 48 and name HG2) (resid 48 and name HD2) ! 0.3705 2175:20 ----- 2.98, 3.00 A assign (resid 30 and name HG) (resid 30 and name HB1) 3.15 1.35 1.35 ! 0.7220 2176:20 Ambig 3.01, 3.02 A or (resid 106 and name HB1) (resid 107 and name HB2) ! 0.1475 2176:20 ----- 3.93, 4.90 A or (resid 71 and name HB*) (resid 30 and name HB1) ! 0.0847 2176:20 ----- 4.31, 4.76 A assign (resid 53 and name HB1) (resid 53 and name HD1) 3.15 1.35 1.35 ! 0.0000 2177:20 Intra 2.45, 3.47 A assign (resid 88 and name HD*) (resid 88 and name HE*) 2.30 0.50 0.50 ! 0.0000 2179:20 Intra 2.37, 2.66 A assign (resid 17 and name HD1*) (resid 48 and name HD1) 3.65 1.85 1.85 ! 0.0000 2180:20 Long 3.98, 5.46 A assign (resid 17 and name HD1*) (resid 48 and name HD2) 3.65 1.85 1.85 ! 0.0000 2181:20 Long 3.77, 5.20 A assign (resid 53 and name HB2) (resid 53 and name HD1) 3.15 1.35 1.35 ! 0.0000 2182:20 Intra 2.37, 2.81 A assign (resid 17 and name HB1) (resid 48 and name HD2) 3.15 1.35 1.35 ! 0.9897 2183:20 Long 2.32, 4.20 A assign (resid 44 and name HN) (resid 43 and name HB2) 3.65 1.85 1.85 ! 0.0000 2184:20 Seq 2.07, 3.28 A assign (resid 47 and name HN) (resid 47 and name HB1) 2.65 0.85 0.85 ! 0.0000 2185:20 Intra 2.38, 2.48 A assign (resid 43 and name HN) (resid 43 and name HB2) 3.15 1.35 1.35 ! 0.0000 2186:20 Intra 2.48, 2.67 A assign (resid 46 and name HG) (resid 46 and name HB1) 2.65 0.85 0.85 ! 0.9625 2188:20 Intra 3.01, 3.02 A assign (resid 102 and name HG2*) (resid 100 and name HB1) 3.65 1.85 1.85 ! 0.7492 2190:20 Ambig 4.53, 6.08 A or (resid 83 and name HB1) (resid 100 and name HB1) ! 0.2508 2190:20 ----- 5.43, 5.85 A assign (resid 82 and name HB*) (resid 100 and name HB2) 4.15 2.35 2.35 ! 0.0000 2191:20 Long 6.03, 6.88 A assign (resid 82 and name HB*) (resid 100 and name HB1) 3.65 1.85 1.85 ! 0.8990 2192:20 Ambig 4.29, 5.20 A or (resid 76 and name HB*) (resid 100 and name HB1) ! 0.0759 2192:20 ----- 6.48, 7.83 A assign (resid 65 and name HD2*) (resid 65 and name HB1) 2.30 0.50 0.50 ! 0.4242 2193:20 Ambig 2.41, 3.09 A or (resid 102 and name HD1*) (resid 102 and name HB) ! 0.3739 2193:20 ----- 2.47, 3.09 A or (resid 62 and name HG1*) (resid 65 and name HB1) ! 0.0886 2193:20 ----- 3.13, 5.72 A or (resid 62 and name HG2*) (resid 65 and name HB1) ! 0.0534 2193:20 ----- 3.41, 4.88 A or (resid 73 and name HD1*) (resid 65 and name HB1) ! 0.0208 2193:20 ----- 3.99, 5.20 A assign (resid 104 and name HN) (resid 103 and name HB1) 3.65 1.85 1.85 ! 0.0000 2194:20 Seq 2.89, 3.13 A assign (resid 107 and name HN) (resid 106 and name HB2) 3.65 1.85 1.85 ! 0.0000 2195:20 Seq 2.61, 3.16 A assign (resid 107 and name HN) (resid 106 and name HB1) 3.65 1.85 1.85 ! 0.0000 2196:20 Seq 2.36, 3.29 A assign (resid 89 and name HA) (resid 88 and name HB*) 3.15 1.35 1.35 ! 0.5445 2198:20 Ambig 3.72, 4.60 A or (resid 87 and name HA) (resid 88 and name HB*) ! 0.3160 2198:20 ----- 4.07, 4.82 A or (resid 100 and name HA) (resid 99 and name HB) ! 0.1395 2198:20 ----- 4.67, 4.85 A assign (resid 78 and name HA) (resid 78 and name HB2) 2.65 0.85 0.85 ! 0.7242 2199:20 Ambig 2.36, 2.54 A or (resid 45 and name HA) (resid 48 and name HB2) ! 0.2758 2199:20 ----- 2.77, 3.14 A assign (resid 14 and name HG2) (resid 14 and name HB1) 2.30 0.50 0.50 ! 0.5383 2200:20 Ambig 2.33, 2.41 A or (resid 24 and name HG2) (resid 24 and name HB2) ! 0.4608 2200:20 ----- 2.39, 2.50 A assign (resid 85 and name HB*) (resid 91 and name HG12) 3.15 1.35 1.35 ! 0.9910 2201:20 Long 2.18, 3.48 A assign (resid 91 and name HB) (resid 91 and name HG11) 3.15 1.35 1.35 ! 0.9643 2202:20 Intra 2.47, 2.49 A assign (resid 84 and name HG2*) (resid 104 and name HG11) 2.65 0.85 0.85 ! 0.9008 2203:20 Ambig 2.67, 3.45 A or (resid 16 and name HD1*) (resid 104 and name HG11) ! 0.0774 2203:20 ----- 4.01, 5.50 A assign (resid 105 and name HN) (resid 105 and name HB1) 3.15 1.35 1.35 ! 0.0000 2204:20 Intra 2.56, 3.51 A assign (resid 99 and name HN) (resid 97 and name HG) 3.65 1.85 1.85 ! 0.4765 2205:20 Ambig 4.50, 6.59 A or (resid 110 and name HN) (resid 112 and name HG) ! 0.2671 2205:20 ----- 4.96, 6.20 A or (resid 10 and name HN) (resid 13 and name HG) ! 0.2564 2205:20 ----- 4.99, 5.27 A assign (resid 42 and name HN) (resid 42 and name HG12) 3.65 1.85 1.85 ! 0.0000 2206:20 Intra 4.69, 4.82 A assign (resid 42 and name HN) (resid 42 and name HG11) 3.65 1.85 1.85 ! 0.0000 2207:20 Intra 4.43, 4.48 A assign (resid 109 and name HN) (resid 108 and name HD1*) 3.65 1.85 1.85 ! 0.8079 2209:20 Ambig 4.86, 5.71 A or (resid 19 and name HN) (resid 108 and name HD1*) ! 0.1921 2209:20 ----- 6.18, 7.49 A assign (resid 14 and name HN) (resid 17 and name HD2*) 4.15 2.35 2.35 ! 0.0000 2210:20 Mid 4.34, 6.57 A assign (resid 35 and name HA) (resid 40 and name HG12) 3.65 1.85 1.85 ! 0.8316 2212:20 Ambig 4.27, 4.49 A or (resid 39 and name HA2) (resid 40 and name HG12) ! 0.1684 2212:20 ----- 5.57, 5.75 A assign (resid 62 and name HA) (resid 65 and name HD1*) 3.65 1.85 1.85 ! 0.8488 2213:20 Ambig 3.49, 7.08 A or (resid 93 and name HA) (resid 65 and name HD1*) ! 0.1301 2213:20 ----- 4.77, 5.89 A assign (resid 96 and name HG1) (resid 93 and name HD1) 4.15 2.35 2.35 ! 0.6730 2214:20 Ambig 4.12, 5.75 A or (resid 96 and name HG1) (resid 97 and name HG) ! 0.2109 2214:20 ----- 5.00, 5.41 A or (resid 89 and name HB1) (resid 93 and name HD1) ! 0.0855 2214:20 ----- 5.81, 7.73 A assign (resid 53 and name HD2) (resid 79 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2215:20 Long 3.11, 5.76 A assign (resid 53 and name HD1) (resid 79 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2216:20 Long 2.13, 5.08 A assign (resid 12 and name HB1) (resid 12 and name HG1) 3.15 1.35 1.35 ! 0.0000 2217:20 Intra 2.51, 2.92 A assign (resid 27 and name HB) (resid 27 and name HG12) 3.15 1.35 1.35 ! 0.7822 2219:20 Ambig 2.42, 2.57 A or (resid 84 and name HB) (resid 84 and name HG12) ! 0.2035 2219:20 ----- 3.03, 3.04 A assign (resid 48 and name HB1) (resid 17 and name HD2*) 2.65 0.85 0.85 ! 0.7153 2220:20 Ambig 2.57, 3.90 A or (resid 48 and name HG1) (resid 17 and name HD2*) ! 0.2327 2220:20 ----- 3.10, 4.57 A or (resid 99 and name HB) (resid 97 and name HD1*) ! 0.0224 2220:20 ----- 4.57, 5.91 A assign (resid 81 and name HB*) (resid 79 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2221:20 Mid 2.94, 4.57 A assign (resid 108 and name HD2*) (resid 108 and name HG) 2.65 0.85 0.85 ! 0.4829 2222:20 Ambig 2.42, 2.64 A or (resid 46 and name HD2*) (resid 46 and name HG) ! 0.4679 2222:20 ----- 2.43, 2.64 A assign (resid 26 and name HG2*) (resid 79 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2223:20 Long 2.30, 3.99 A assign (resid 61 and name HN) (resid 61 and name HG1) 3.15 1.35 1.35 ! 0.9681 2224:20 Intra 2.38, 3.85 A assign (resid 15 and name HN) (resid 14 and name HG1) 3.65 1.85 1.85 ! 0.0000 2225:20 Seq 3.91, 4.27 A assign (resid 25 and name HN) (resid 24 and name HG2) 3.65 1.85 1.85 ! 0.0000 2226:20 Seq 3.19, 4.94 A assign (resid 75 and name HN) (resid 4 and name HG1*) 3.15 1.35 1.35 ! 0.7677 2227:20 Ambig 4.21, 5.35 A or (resid 77 and name HN) (resid 4 and name HG1*) ! 0.1536 2227:20 ----- 5.50, 6.68 A or (resid 81 and name HN) (resid 4 and name HG1*) ! 0.0402 2227:20 ----- 6.88, 7.75 A assign (resid 25 and name HN) (resid 3 and name HB*) 3.15 1.35 1.35 ! 0.3615 2228:20 Ambig 4.33, 5.45 A or (resid 27 and name HN) (resid 52 and name HG2*) ! 0.3592 2228:20 ----- 4.34, 5.38 A or (resid 27 and name HN) (resid 52 and name HG1*) ! 0.1984 2228:20 ----- 4.79, 6.11 A or (resid 5 and name HN) (resid 3 and name HB*) ! 0.0808 2228:20 ----- 5.56, 6.23 A assign (resid 26 and name HN) (resid 3 and name HB*) 3.15 1.35 1.35 ! 0.7295 2229:20 Ambig 3.78, 4.73 A or (resid 84 and name HN) (resid 3 and name HB*) ! 0.2705 2229:20 ----- 4.46, 5.71 A assign (resid 102 and name HN) (resid 82 and name HD1*) 3.65 1.85 1.85 ! 0.6662 2230:20 Ambig 3.58, 4.73 A or (resid 84 and name HN) (resid 82 and name HD1*) ! 0.3338 2230:20 ----- 4.02, 5.17 A assign (resid 46 and name HN) (resid 50 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2233:20 Mid 4.63, 5.38 A assign (resid 36 and name HN) (resid 32 and name HG2*) 3.65 1.85 1.85 ! 0.6255 2234:20 Ambig 5.23, 6.22 A or (resid 83 and name HN) (resid 4 and name HG2*) ! 0.2593 2234:20 ----- 6.05, 7.00 A or (resid 71 and name HN) (resid 30 and name HD2*) ! 0.1151 2234:20 ----- 6.93, 7.54 A assign (resid 52 and name HN) (resid 46 and name HD2*) 3.15 1.35 1.35 ! 0.8692 2235:20 Ambig 3.51, 4.71 A or (resid 47 and name HN) (resid 46 and name HD2*) ! 0.0985 2235:20 ----- 5.05, 5.66 A assign (resid 2 and name HD*) (resid 24 and name HG1) 3.15 1.35 1.35 ! 0.0000 2236:20 Long 2.37, 4.84 A assign (resid 91 and name HN) (resid 90 and name HG2*) 3.15 1.35 1.35 ! 0.8597 2238:20 Ambig 3.88, 4.58 A or (resid 64 and name HD21) (resid 90 and name HG2*) ! 0.1403 2238:20 ----- 5.25, 7.81 A assign (resid 82 and name HN) (resid 3 and name HB*) 3.15 1.35 1.35 ! 0.0000 2239:20 Long 3.85, 4.78 A assign (resid 100 and name HD22) (resid 82 and name HD2*) 3.15 1.35 1.35 ! 0.0000 2240:20 Long 2.89, 3.59 A assign (resid 100 and name HD22) (resid 82 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2241:20 Long 3.94, 5.45 A assign (resid 101 and name HA) (resid 83 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2242:20 Long 5.34, 5.83 A assign (resid 2 and name HA) (resid 24 and name HG2) 3.65 1.85 1.85 ! 0.6732 2243:20 Ambig 4.15, 4.61 A or (resid 25 and name HA) (resid 24 and name HG2) ! 0.3268 2243:20 ----- 4.68, 6.21 A assign (resid 83 and name HA) (resid 81 and name HB*) 3.65 1.85 1.85 ! 0.0000 2244:20 Mid 4.68, 5.56 A assign (resid 83 and name HA) (resid 101 and name HB*) 4.15 2.35 2.35 ! 0.0000 2245:20 Long 5.03, 5.80 A assign (resid 25 and name HA) (resid 3 and name HB*) 3.15 1.35 1.35 ! 0.9737 2246:20 Long 2.43, 3.58 A assign (resid 26 and name HA) (resid 26 and name HG2*) 2.65 0.85 0.85 ! 0.9918 2247:20 Intra 2.55, 3.19 A assign (resid 21 and name HA) (resid 21 and name HG*) 2.65 0.85 0.85 ! 0.8944 2248:20 Ambig 2.33, 3.02 A or (resid 38 and name HA) (resid 37 and name HG1) ! 0.0849 2248:20 ----- 3.44, 3.98 A assign (resid 28 and name HB) (resid 54 and name HB*) 3.65 1.85 1.85 ! 0.5726 2249:20 Ambig 4.12, 6.25 A or (resid 53 and name HA) (resid 54 and name HB*) ! 0.4274 2249:20 ----- 4.32, 4.88 A assign (resid 53 and name HA) (resid 29 and name HG2*) 3.65 1.85 1.85 ! 0.6860 2251:20 Ambig 4.04, 5.61 A or (resid 28 and name HB) (resid 29 and name HG2*) ! 0.3140 2251:20 ----- 4.60, 5.78 A assign (resid 33 and name HB*) (resid 29 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2252:20 Mid 5.81, 7.80 A assign (resid 46 and name HA) (resid 50 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2253:20 Mid 4.04, 4.89 A assign (resid 29 and name HB) (resid 52 and name HG2*) 3.15 1.35 1.35 ! 0.4001 2254:20 Ambig 4.66, 6.38 A or (resid 29 and name HB) (resid 52 and name HG1*) ! 0.2889 2254:20 ----- 4.92, 6.74 A or (resid 46 and name HA) (resid 52 and name HG2*) ! 0.2146 2254:20 ----- 5.17, 7.44 A or (resid 46 and name HA) (resid 52 and name HG1*) ! 0.0963 2254:20 ----- 5.90, 7.92 A assign (resid 53 and name HA) (resid 52 and name HG1*) 3.15 1.35 1.35 ! 0.4816 2255:20 Ambig 3.56, 5.01 A or (resid 53 and name HA) (resid 52 and name HG2*) ! 0.4032 2255:20 ----- 3.66, 5.50 A or (resid 28 and name HB) (resid 52 and name HG2*) ! 0.0503 2255:20 ----- 5.18, 6.98 A or (resid 28 and name HB) (resid 52 and name HG1*) ! 0.0438 2255:20 ----- 5.30, 7.79 A assign (resid 82 and name HA) (resid 82 and name HD1*) 3.15 1.35 1.35 ! 0.9866 2256:20 Intra 2.80, 3.86 A assign (resid 31 and name HA1) (resid 32 and name HG2*) 3.15 1.35 1.35 ! 0.9270 2257:20 Ambig 4.66, 5.73 A or (resid 31 and name HA1) (resid 30 and name HD2*) ! 0.0730 2257:20 ----- 7.11, 7.75 A assign (resid 71 and name HG2) (resid 28 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2260:20 Long 2.12, 3.46 A assign (resid 30 and name HB2) (resid 30 and name HD2*) 3.15 1.35 1.35 ! 0.0000 2261:20 Intra 3.66, 3.90 A assign (resid 78 and name HG1) (resid 79 and name HD2*) 3.65 1.85 1.85 ! 0.0000 2262:20 Seq 2.91, 5.56 A assign (resid 78 and name HB2) (resid 79 and name HD2*) 3.65 1.85 1.85 ! 0.0000 2263:20 Seq 3.75, 6.03 A assign (resid 51 and name HG11) (resid 26 and name HG1*) 2.30 0.50 0.50 ! 0.9844 2264:20 Long 2.23, 3.47 A assign (resid 5 and name HG12) (resid 13 and name HD2*) 3.15 1.35 1.35 ! 0.5242 2265:20 Ambig 4.02, 6.04 A or (resid 5 and name HG12) (resid 13 and name HD1*) ! 0.4758 2265:20 ----- 4.08, 6.23 A assign (resid 17 and name HD2*) (resid 50 and name HG2*) 2.30 0.50 0.50 ! 0.8187 2266:20 Ambig 2.10, 3.77 A or (resid 5 and name HD1*) (resid 50 and name HG2*) ! 0.1702 2266:20 ----- 2.73, 4.96 A assign (resid 79 and name HD1*) (resid 26 and name HG1*) 3.15 1.35 1.35 ! 0.9861 2269:20 Long 2.33, 4.32 A assign (resid 100 and name HN) (resid 76 and name HB*) 3.65 1.85 1.85 ! 0.7248 2271:20 Ambig 5.01, 6.35 A or (resid 5 and name HN) (resid 76 and name HB*) ! 0.2752 2271:20 ----- 5.89, 7.15 A assign (resid 44 and name HN) (resid 45 and name HB*) 4.15 2.35 2.35 ! 0.6770 2272:20 Ambig 4.75, 5.37 A or (resid 49 and name HN) (resid 45 and name HB*) ! 0.3230 2272:20 ----- 5.38, 6.26 A assign (resid 61 and name HN) (resid 62 and name HG2*) 3.15 1.35 1.35 ! 0.5162 2273:20 Ambig 3.40, 6.06 A or (resid 61 and name HN) (resid 62 and name HG1*) ! 0.3707 2273:20 ----- 3.59, 5.94 A or (resid 94 and name HN) (resid 90 and name HG1*) ! 0.1027 2273:20 ----- 4.45, 5.33 A assign (resid 36 and name HN) (resid 42 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2274:20 Long 3.47, 4.78 A assign (resid 40 and name HN) (resid 42 and name HG2*) 3.65 1.85 1.85 ! 0.6693 2275:20 Ambig 4.09, 5.95 A or (resid 46 and name HN) (resid 42 and name HG2*) ! 0.2526 2275:20 ----- 4.81, 6.05 A or (resid 34 and name HN) (resid 42 and name HG2*) ! 0.0429 2275:20 ----- 6.46, 7.91 A assign (resid 101 and name HN) (resid 94 and name HB*) 3.65 1.85 1.85 ! 0.0000 2276:20 Long 3.65, 4.80 A assign (resid 100 and name HD22) (resid 102 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2278:20 Mid 2.58, 3.90 A assign (resid 84 and name HA) (resid 102 and name HG2*) 3.65 1.85 1.85 ! 0.4851 2279:20 Ambig 6.11, 6.85 A or (resid 84 and name HA) (resid 104 and name HG2*) ! 0.2657 2279:20 ----- 6.76, 7.80 A or (resid 86 and name HA) (resid 104 and name HG2*) ! 0.2492 2279:20 ----- 6.83, 7.30 A assign (resid 100 and name HA) (resid 102 and name HG2*) 3.15 1.35 1.35 ! 0.7523 2280:20 Ambig 4.19, 5.58 A or (resid 9 and name HA) (resid 104 and name HG2*) ! 0.1659 2280:20 ----- 5.40, 6.53 A or (resid 82 and name HA) (resid 102 and name HG2*) ! 0.0817 2280:20 ----- 6.07, 7.44 A assign (resid 106 and name HA) (resid 109 and name HB*) 3.15 1.35 1.35 ! 0.9960 2281:20 Mid 2.26, 3.36 A assign (resid 110 and name HA) (resid 109 and name HB*) 3.65 1.85 1.85 ! 0.0000 2282:20 Seq 4.24, 4.94 A assign (resid 77 and name HA) (resid 94 and name HB*) 4.15 2.35 2.35 ! 0.7536 2283:20 Ambig 5.80, 7.24 A or (resid 97 and name HA) (resid 94 and name HB*) ! 0.2464 2283:20 ----- 6.99, 7.68 A assign (resid 100 and name HA) (resid 94 and name HB*) 3.65 1.85 1.85 ! 0.8178 2284:20 Ambig 5.37, 6.34 A or (resid 82 and name HA) (resid 94 and name HB*) ! 0.1822 2284:20 ----- 6.89, 8.00 A assign (resid 10 and name HA) (resid 45 and name HB*) 4.15 2.35 2.35 ! 0.0000 2285:20 Long 6.13, 7.81 A assign (resid 51 and name HA) (resid 27 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2286:20 Long 4.34, 5.32 A assign (resid 9 and name HA) (resid 5 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2287:20 Mid 4.88, 5.61 A assign (resid 41 and name HA) (resid 42 and name HG2*) 3.65 1.85 1.85 ! 0.6663 2288:20 Ambig 3.76, 4.92 A or (resid 9 and name HA) (resid 84 and name HG2*) ! 0.3337 2288:20 ----- 4.22, 5.57 A assign (resid 105 and name HA) (resid 104 and name HG2*) 3.15 1.35 1.35 ! 0.8969 2289:20 Ambig 3.16, 4.30 A or (resid 110 and name HB*) (resid 102 and name HG2*) ! 0.0856 2289:20 ----- 4.68, 7.77 A assign (resid 13 and name HA) (resid 9 and name HB*) 3.65 1.85 1.85 ! 0.0000 2290:20 Mid 4.32, 5.83 A assign (resid 34 and name HA) (resid 35 and name HB*) 3.65 1.85 1.85 ! 0.0000 2291:20 Seq 5.75, 6.09 A assign (resid 10 and name HA) (resid 35 and name HB*) 4.15 2.35 2.35 ! 0.0000 2292:20 Long 5.78, 7.08 A assign (resid 99 and name HA) (resid 94 and name HB*) 3.65 1.85 1.85 ! 0.6986 2293:20 Ambig 4.95, 6.15 A or (resid 93 and name HA) (resid 94 and name HB*) ! 0.3014 2293:20 ----- 5.69, 6.07 A assign (resid 29 and name HA) (resid 27 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2294:20 Mid 4.77, 6.08 A assign (resid 91 and name HA) (resid 90 and name HG1*) 3.15 1.35 1.35 ! 0.0000 2295:20 Seq 3.49, 4.68 A assign (resid 48 and name HD2) (resid 45 and name HB*) 3.65 1.85 1.85 ! 0.8603 2297:20 Ambig 4.97, 6.17 A or (resid 48 and name HD1) (resid 45 and name HB*) ! 0.1397 2297:20 ----- 6.73, 7.73 A assign (resid 93 and name HE1) (resid 73 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2298:20 Long 2.81, 5.93 A assign (resid 86 and name HG2) (resid 9 and name HB*) 3.15 1.35 1.35 ! 0.0000 2299:20 Long 2.77, 3.86 A assign (resid 86 and name HB2) (resid 9 and name HB*) 3.65 1.85 1.85 ! 0.7812 2300:20 Ambig 3.52, 4.99 A or (resid 13 and name HG) (resid 9 and name HB*) ! 0.1227 2300:20 ----- 4.80, 6.61 A or (resid 16 and name HB) (resid 9 and name HB*) ! 0.0638 2300:20 ----- 5.35, 7.29 A assign (resid 95 and name HG*) (resid 94 and name HB*) 3.15 1.35 1.35 ! 0.4205 2301:20 Ambig 4.28, 6.95 A or (resid 93 and name HD1) (resid 94 and name HB*) ! 0.2345 2301:20 ----- 4.72, 7.28 A or (resid 97 and name HG) (resid 94 and name HB*) ! 0.1295 2301:20 ----- 5.21, 5.72 A or (resid 97 and name HB1) (resid 94 and name HB*) ! 0.0813 2301:20 ----- 5.63, 6.65 A or (resid 91 and name HB) (resid 94 and name HB*) ! 0.0760 2301:20 ----- 5.70, 6.82 A or (resid 74 and name HE*) (resid 94 and name HB*) ! 0.0581 2301:20 ----- 5.96, 7.91 A assign (resid 87 and name HB2) (resid 90 and name HG1*) 4.15 2.35 2.35 ! 0.0000 2302:20 Mid 5.12, 6.14 A assign (resid 84 and name HB) (resid 5 and name HG2*) 2.65 0.85 0.85 ! 0.8827 2303:20 Ambig 2.97, 4.37 A or (resid 27 and name HB) (resid 5 and name HG2*) ! 0.0761 2303:20 ----- 4.48, 5.47 A assign (resid 5 and name HG12) (resid 16 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2304:20 Long 5.13, 6.88 A assign (resid 85 and name HB*) (resid 9 and name HB*) 3.65 1.85 1.85 ! 0.7828 2305:20 Ambig 4.05, 5.63 A or (resid 83 and name HG) (resid 9 and name HB*) ! 0.1029 2305:20 ----- 5.68, 6.74 A or (resid 84 and name HG12) (resid 9 and name HB*) ! 0.0755 2305:20 ----- 5.98, 6.50 A assign (resid 5 and name HD1*) (resid 9 and name HB*) 3.65 1.85 1.85 ! 0.5038 2306:20 Ambig 3.49, 6.28 A or (resid 13 and name HD2*) (resid 9 and name HB*) ! 0.3318 2306:20 ----- 3.75, 6.92 A or (resid 13 and name HD1*) (resid 9 and name HB*) ! 0.1173 2306:20 ----- 4.46, 7.00 A assign (resid 83 and name HB1) (resid 94 and name HB*) 2.65 0.85 0.85 ! 0.7684 2307:20 Ambig 3.55, 4.10 A or (resid 91 and name HG2*) (resid 94 and name HB*) ! 0.2056 2307:20 ----- 4.43, 6.50 A assign (resid 5 and name HN) (resid 72 and name HB*) 3.65 1.85 1.85 ! 0.6871 2310:20 Ambig 4.65, 5.81 A or (resid 8 and name HN) (resid 72 and name HB*) ! 0.2469 2310:20 ----- 5.52, 6.13 A or (resid 9 and name HN) (resid 72 and name HB*) ! 0.0660 2310:20 ----- 6.87, 7.23 A assign (resid 71 and name HN) (resid 72 and name HB*) 3.65 1.85 1.85 ! 0.0000 2311:20 Seq 4.72, 5.38 A assign (resid 6 and name HN) (resid 72 and name HB*) 3.65 1.85 1.85 ! 0.0000 2312:20 Long 4.07, 4.87 A assign (resid 75 and name HN) (resid 72 and name HB*) 3.65 1.85 1.85 ! 0.8483 2313:20 Ambig 5.35, 5.67 A or (resid 77 and name HN) (resid 72 and name HB*) ! 0.1517 2313:20 ----- 7.13, 7.74 A assign (resid 5 and name HN) (resid 84 and name HD1*) 3.65 1.85 1.85 ! 0.8758 2314:20 Ambig 4.75, 6.26 A or (resid 25 and name HN) (resid 84 and name HD1*) ! 0.1242 2314:20 ----- 6.58, 7.74 A assign (resid 76 and name HN) (resid 72 and name HB*) 3.65 1.85 1.85 ! 0.0000 2315:20 Mid 4.91, 5.64 A assign (resid 70 and name HN) (resid 73 and name HD1*) 3.65 1.85 1.85 ! 0.5662 2316:20 Ambig 4.39, 5.52 A or (resid 90 and name HN) (resid 73 and name HD1*) ! 0.3148 2316:20 ----- 4.84, 6.21 A or (resid 96 and name HN) (resid 73 and name HD1*) ! 0.0773 2316:20 ----- 6.12, 7.64 A assign (resid 36 and name HN) (resid 42 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2317:20 Long 5.46, 6.70 A assign (resid 77 and name HD*) (resid 74 and name HE*) 2.65 0.85 0.85 ! 0.0000 2318:20 Mid 2.57, 4.49 A assign (resid 96 and name HN) (resid 91 and name HG2*) 3.65 1.85 1.85 ! 0.6039 2319:20 Ambig 6.22, 7.34 A or (resid 90 and name HN) (resid 91 and name HG2*) ! 0.3961 2319:20 ----- 6.67, 7.02 A assign (resid 80 and name HD22) (resid 1 and name HE*) 3.65 1.85 1.85 ! 0.7849 2321:20 Ambig 4.01, 6.56 A or (resid 100 and name HD22) (resid 1 and name HE*) ! 0.2151 2321:20 ----- 4.97, 6.61 A assign (resid 6 and name HB2) (resid 72 and name HB*) 3.65 1.85 1.85 ! 0.9692 2323:20 Long 3.01, 4.31 A assign (resid 82 and name HA) (resid 84 and name HD1*) 4.15 2.35 2.35 ! 0.5884 2325:20 Ambig 6.72, 7.68 A or (resid 85 and name HA) (resid 84 and name HD1*) ! 0.4116 2325:20 ----- 7.13, 7.58 A assign (resid 7 and name HD*) (resid 72 and name HB*) 3.65 1.85 1.85 ! 0.0000 2326:20 Long 2.26, 3.52 A assign (resid 78 and name HA) (resid 74 and name HE*) 4.15 2.35 2.35 ! 0.0000 2327:20 Mid 5.66, 7.23 A assign (resid 73 and name HA) (resid 74 and name HE*) 3.65 1.85 1.85 ! 0.0000 2328:20 Seq 4.91, 6.04 A assign (resid 11 and name HA1) (resid 40 and name HG2*) 4.15 2.35 2.35 ! 0.7109 2330:20 Ambig 3.34, 5.15 A or (resid 42 and name HA) (resid 40 and name HG2*) ! 0.2783 2330:20 ----- 3.91, 5.36 A assign (resid 10 and name HB2) (resid 40 and name HG2*) 4.15 2.35 2.35 ! 0.9553 2331:20 Long 2.92, 4.82 A assign (resid 43 and name HA) (resid 42 and name HD1*) 4.15 2.35 2.35 ! 0.4624 2332:20 Ambig 5.04, 6.24 A or (resid 46 and name HA) (resid 42 and name HD1*) ! 0.3213 2332:20 ----- 5.35, 6.28 A or (resid 31 and name HA2) (resid 42 and name HD1*) ! 0.2162 2332:20 ----- 5.72, 6.94 A assign (resid 91 and name HA) (resid 91 and name HG2*) 2.65 0.85 0.85 ! 0.0000 2333:20 Intra 2.58, 3.22 A assign (resid 104 and name HA) (resid 16 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2334:20 Long 4.31, 5.65 A assign (resid 53 and name HD2) (resid 51 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2335:20 Mid 3.96, 6.64 A assign (resid 53 and name HD1) (resid 51 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2336:20 Mid 4.50, 6.14 A assign (resid 103 and name HB2) (resid 91 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2338:20 Long 5.69, 7.40 A assign (resid 95 and name HB*) (resid 91 and name HG2*) 3.15 1.35 1.35 ! 0.5417 2339:20 Ambig 3.14, 4.90 A or (resid 103 and name HG1) (resid 91 and name HG2*) ! 0.4252 2339:20 ----- 3.27, 5.14 A assign (resid 104 and name HB) (resid 104 and name HD1*) 2.30 0.50 0.50 ! 0.9469 2340:20 Ambig 2.56, 3.18 A or (resid 86 and name HB2) (resid 104 and name HD1*) ! 0.0358 2340:20 ----- 4.41, 5.32 A assign (resid 9 and name HB*) (resid 104 and name HD1*) 2.30 0.50 0.50 ! 0.8622 2341:20 Ambig 1.91, 4.02 A or (resid 12 and name HG1) (resid 104 and name HD1*) ! 0.1316 2341:20 ----- 2.61, 4.16 A assign (resid 36 and name HB) (resid 36 and name HD1*) 2.65 0.85 0.85 ! 0.0000 2342:20 Intra 3.75, 3.94 A assign (resid 5 and name HB) (resid 27 and name HD1*) 2.65 0.85 0.85 ! 0.9847 2344:20 Long 2.16, 3.59 A assign (resid 73 and name HB) (resid 73 and name HD1*) 2.30 0.50 0.50 ! 0.9489 2345:20 Ambig 2.57, 3.17 A or (resid 74 and name HE*) (resid 73 and name HD1*) ! 0.0265 2345:20 ----- 4.66, 7.03 A assign (resid 34 and name HE*) (resid 40 and name HD1*) 4.15 2.35 2.35 ! 0.9836 2346:20 Long 2.84, 5.36 A assign (resid 10 and name HB1) (resid 40 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2347:20 Long 1.95, 3.17 A assign (resid 103 and name HD1) (resid 91 and name HD1*) 3.15 1.35 1.35 ! 0.0000 2348:20 Long 2.07, 3.38 A assign (resid 40 and name HG11) (resid 40 and name HD1*) 2.30 0.50 0.50 ! 0.0000 2349:20 Intra 2.38, 2.63 A assign (resid 93 and name HE1) (resid 73 and name HD1*) 3.65 1.85 1.85 ! 0.9955 2352:20 Long 2.71, 5.63 A assign (resid 76 and name HN) (resid 83 and name HD2*) 3.65 1.85 1.85 ! 0.8387 2353:20 Ambig 4.87, 6.08 A or (resid 99 and name HN) (resid 83 and name HD2*) ! 0.1613 2353:20 ----- 6.42, 7.36 A assign (resid 37 and name HE*) (resid 34 and name HA) 3.15 1.35 1.35 ! 0.0000 2355:20 Mid 2.05, 4.24 A assign (resid 35 and name HA) (resid 34 and name HA) 3.65 1.85 1.85 ! 0.0000 2356:20 Seq 4.70, 4.76 A assign (resid 93 and name HA) (resid 93 and name HE1) 3.65 1.85 1.85 ! 0.9632 2359:20 Intra 1.90, 4.04 A assign (resid 23 and name HN) (resid 23 and name HB2) 3.65 1.85 1.85 ! 0.0000 2360:20 Intra 2.37, 2.55 A assign (resid 34 and name HN) (resid 34 and name HB2) 3.15 1.35 1.35 ! 0.0000 2361:20 Intra 2.45, 2.54 A assign (resid 34 and name HD*) (resid 34 and name HB2) 3.15 1.35 1.35 ! 0.0000 2362:20 Intra 2.43, 3.05 A assign (resid 34 and name HD*) (resid 34 and name HB1) 3.15 1.35 1.35 ! 0.9120 2363:20 Ambig 2.30, 3.03 A or (resid 10 and name HZ) (resid 34 and name HB1) ! 0.0727 2363:20 ----- 3.51, 4.14 A assign (resid 101 and name HN) (resid 100 and name HB2) 3.65 1.85 1.85 ! 0.0000 2364:20 Seq 4.38, 4.45 A assign (resid 23 and name HN) (resid 22 and name HB1) 3.65 1.85 1.85 ! 0.0000 2365:20 Seq 3.28, 3.54 A assign (resid 23 and name HN) (resid 22 and name HB2) 3.65 1.85 1.85 ! 0.0000 2366:20 Seq 3.28, 4.19 A assign (resid 22 and name HD21) (resid 22 and name HB2) 3.65 1.85 1.85 ! 0.0000 2367:20 Intra 2.19, 2.84 A assign (resid 64 and name HD21) (resid 64 and name HB1) 3.65 1.85 1.85 ! 0.0000 2368:20 Intra 2.17, 2.57 A assign (resid 35 and name HN) (resid 34 and name HB2) 3.65 1.85 1.85 ! 0.9752 2369:20 Seq 3.67, 3.86 A assign (resid 35 and name HN) (resid 34 and name HB1) 3.65 1.85 1.85 ! 0.9982 2370:20 Seq 2.37, 2.59 A assign (resid 20 and name HD21) (resid 16 and name HB) 3.65 1.85 1.85 ! 0.7087 2371:20 Ambig 3.98, 5.43 A or (resid 38 and name HN) (resid 40 and name HB) ! 0.2913 2371:20 ----- 4.62, 4.97 A assign (resid 25 and name HD*) (resid 23 and name HB1) 4.15 2.35 2.35 ! 0.0000 2372:20 Mid 4.49, 5.37 A assign (resid 41 and name HN) (resid 41 and name HB1) 3.15 1.35 1.35 ! 0.9891 2373:20 Intra 2.45, 3.15 A assign (resid 42 and name HN) (resid 43 and name HB1) 3.65 1.85 1.85 ! 0.6975 2374:20 Ambig 4.05, 4.82 A or (resid 47 and name HN) (resid 43 and name HB1) ! 0.3025 2374:20 ----- 4.66, 5.29 A assign (resid 54 and name HN) (resid 53 and name HD1) 3.65 1.85 1.85 ! 0.0000 2375:20 Seq 2.60, 4.20 A assign (resid 15 and name HN) (resid 14 and name HE*) 4.15 2.35 2.35 ! 0.0000 2376:20 Seq 4.45, 6.06 A assign (resid 27 and name HN) (resid 51 and name HB) 3.65 1.85 1.85 ! 0.0000 2377:20 Long 5.13, 5.23 A assign (resid 55 and name HN) (resid 55 and name HB2) 3.65 1.85 1.85 ! 0.0000 2378:20 Intra 2.19, 2.64 A assign (resid 55 and name HN) (resid 55 and name HB1) 3.65 1.85 1.85 ! 0.0000 2379:20 Intra 2.44, 2.68 A assign (resid 81 and name HN) (resid 80 and name HB2) 3.65 1.85 1.85 ! 0.0000 2382:20 Seq 4.25, 4.48 A assign (resid 79 and name HN) (resid 78 and name HG1) 3.65 1.85 1.85 ! 0.0000 2383:20 Seq 2.42, 4.46 A assign (resid 81 and name HN) (resid 80 and name HB1) 3.65 1.85 1.85 ! 0.0000 2384:20 Seq 4.15, 4.31 A assign (resid 55 and name HE*) (resid 78 and name HG2) 3.15 1.35 1.35 ! 0.5049 2387:20 Ambig 2.42, 5.76 A or (resid 55 and name HD*) (resid 78 and name HG2) ! 0.4951 2387:20 ----- 2.43, 6.34 A assign (resid 95 and name HD2) (resid 92 and name HB2) 3.65 1.85 1.85 ! 0.4643 2389:20 Ambig 4.15, 6.43 A or (resid 88 and name HB*) (resid 92 and name HB2) ! 0.3697 2389:20 ----- 4.31, 5.61 A or (resid 93 and name HB2) (resid 92 and name HB2) ! 0.1075 2389:20 ----- 5.30, 5.90 A or (resid 95 and name HD1) (resid 92 and name HB2) ! 0.0585 2389:20 ----- 5.86, 7.39 A assign (resid 88 and name HG2) (resid 92 and name HB2) 4.15 2.35 2.35 ! 0.5834 2390:20 Ambig 3.19, 5.97 A or (resid 88 and name HG1) (resid 92 and name HB2) ! 0.3478 2390:20 ----- 3.47, 5.90 A or (resid 93 and name HD2) (resid 92 and name HB2) ! 0.0333 2390:20 ----- 5.14, 7.55 A assign (resid 93 and name HD2) (resid 92 and name HB1) 3.65 1.85 1.85 ! 0.3139 2391:20 Ambig 3.94, 6.26 A or (resid 88 and name HG2) (resid 92 and name HB1) ! 0.2790 2391:20 ----- 4.02, 6.62 A or (resid 88 and name HG1) (resid 92 and name HB1) ! 0.2221 2391:20 ----- 4.18, 6.53 A or (resid 93 and name HB1) (resid 92 and name HB1) ! 0.1412 2391:20 ----- 4.50, 5.40 A assign (resid 93 and name HB2) (resid 92 and name HB1) 3.65 1.85 1.85 ! 0.6187 2392:20 Ambig 3.56, 4.43 A or (resid 108 and name HG) (resid 20 and name HB2) ! 0.1662 2392:20 ----- 4.44, 5.59 A or (resid 88 and name HB*) (resid 92 and name HB1) ! 0.0932 2392:20 ----- 4.88, 6.04 A or (resid 95 and name HD2) (resid 92 and name HB1) ! 0.0696 2392:20 ----- 5.13, 7.36 A or (resid 16 and name HG12) (resid 20 and name HB2) ! 0.0343 2392:20 ----- 5.77, 6.95 A assign (resid 60 and name HD1) (resid 60 and name HB1) 3.65 1.85 1.85 ! 0.0000 2393:20 Intra 2.90, 3.63 A assign (resid 14 and name HE*) (resid 14 and name HB1) 3.65 1.85 1.85 ! 0.0000 2395:20 Intra 2.09, 3.99 A assign (resid 24 and name HE*) (resid 24 and name HB2) 3.65 1.85 1.85 ! 0.9935 2396:20 Intra 2.17, 3.98 A assign (resid 103 and name HD2) (resid 103 and name HB2) 3.65 1.85 1.85 ! 0.9944 2398:20 Intra 2.87, 3.29 A assign (resid 103 and name HD1) (resid 103 and name HB1) 3.65 1.85 1.85 ! 0.7099 2399:20 Ambig 2.96, 3.72 A or (resid 70 and name HB*) (resid 74 and name HG2) ! 0.2744 2399:20 ----- 3.47, 4.57 A assign (resid 103 and name HD1) (resid 103 and name HB2) 3.65 1.85 1.85 ! 0.0000 2400:20 Intra 3.83, 3.90 A assign (resid 70 and name HA) (resid 74 and name HG2) 3.15 1.35 1.35 ! 0.4994 2401:20 Ambig 3.70, 4.09 A or (resid 103 and name HD2) (resid 103 and name HB1) ! 0.4061 2401:20 ----- 3.83, 3.89 A or (resid 88 and name HA) (resid 103 and name HB1) ! 0.0764 2401:20 ----- 5.06, 6.16 A assign (resid 93 and name HE2) (resid 62 and name HB) 3.65 1.85 1.85 ! 0.6173 2403:20 Ambig 3.26, 5.26 A or (resid 89 and name HB2) (resid 88 and name HB*) ! 0.2931 2403:20 ----- 3.70, 4.80 A or (resid 92 and name HB1) (resid 88 and name HB*) ! 0.0550 2403:20 ----- 4.88, 6.04 A assign (resid 82 and name HA) (resid 1 and name HG2) 3.65 1.85 1.85 ! 0.5303 2404:20 Ambig 4.52, 5.25 A or (resid 23 and name HA) (resid 1 and name HG2) ! 0.4697 2404:20 ----- 4.61, 5.29 A assign (resid 82 and name HA) (resid 1 and name HG1) 4.15 2.35 2.35 ! 0.5830 2405:20 Ambig 5.45, 6.11 A or (resid 23 and name HA) (resid 1 and name HG1) ! 0.4170 2405:20 ----- 5.76, 6.50 A assign (resid 81 and name HB*) (resid 1 and name HG2) 3.65 1.85 1.85 ! 0.0000 2406:20 Long 3.74, 4.87 A assign (resid 3 and name HB*) (resid 1 and name HG2) 3.65 1.85 1.85 ! 0.0000 2407:20 Mid 4.61, 5.85 A assign (resid 81 and name HB*) (resid 1 and name HG1) 3.65 1.85 1.85 ! 0.0000 2408:20 Long 4.67, 5.47 A assign (resid 113 and name HN) (resid 113 and name HB2) 3.65 1.85 1.85 ! 0.0000 2409:20 Intra 2.15, 2.71 A assign (resid 17 and name HB1) (resid 48 and name HB2) 3.65 1.85 1.85 ! 0.9555 2410:20 Long 2.77, 4.97 A assign (resid 50 and name HG2*) (resid 48 and name HB2) 3.65 1.85 1.85 ! 0.9459 2411:20 Ambig 3.39, 4.79 A or (resid 74 and name HB2) (resid 78 and name HB2) ! 0.0541 2411:20 ----- 5.46, 6.17 A assign (resid 69 and name HN) (resid 69 and name HB2) 3.65 1.85 1.85 ! 0.9173 2412:20 Ambig 2.42, 2.72 A or (resid 68 and name HD*) (resid 69 and name HB2) ! 0.0601 2412:20 ----- 3.81, 5.92 A assign (resid 42 and name HA) (resid 42 and name HG11) 3.65 1.85 1.85 ! 0.0000 2413:20 Intra 2.95, 3.07 A assign (resid 68 and name HN) (resid 67 and name HB2) 3.65 1.85 1.85 ! 0.0000 2414:20 Seq 2.56, 3.37 A assign (resid 85 and name HA) (resid 83 and name HD2*) 3.65 1.85 1.85 ! 0.8211 2415:20 Ambig 5.35, 6.38 A or (resid 82 and name HA) (resid 83 and name HD2*) ! 0.1789 2415:20 ----- 6.90, 7.45 A assign (resid 5 and name HN) (resid 27 and name HG11) 3.65 1.85 1.85 ! 0.5666 2416:20 Ambig 4.16, 5.47 A or (resid 27 and name HN) (resid 27 and name HG11) ! 0.3802 2416:20 ----- 4.45, 4.61 A or (resid 35 and name HN) (resid 27 and name HG11) ! 0.0532 2416:20 ----- 6.18, 6.53 A assign (resid 14 and name HN) (resid 13 and name HG) 3.65 1.85 1.85 ! 0.5924 2417:20 Ambig 3.09, 4.25 A or (resid 63 and name HN) (resid 93 and name HD1) ! 0.3958 2417:20 ----- 3.30, 7.70 A assign (resid 84 and name HN) (resid 84 and name HG12) 3.65 1.85 1.85 ! 0.7208 2418:20 Ambig 3.54, 3.66 A or (resid 102 and name HN) (resid 84 and name HG12) ! 0.2395 2418:20 ----- 4.26, 4.75 A assign (resid 5 and name HN) (resid 27 and name HG12) 3.65 1.85 1.85 ! 0.7427 2419:20 Ambig 3.60, 5.52 A or (resid 27 and name HN) (resid 27 and name HG12) ! 0.1990 2419:20 ----- 4.49, 4.79 A or (resid 35 and name HN) (resid 27 and name HG12) ! 0.0426 2419:20 ----- 5.80, 6.35 A assign (resid 52 and name HA) (resid 27 and name HG11) 3.65 1.85 1.85 ! 0.5870 2420:20 Ambig 4.67, 5.25 A or (resid 83 and name HA) (resid 82 and name HG) ! 0.1275 2420:20 ----- 6.02, 6.23 A or (resid 26 and name HA) (resid 53 and name HG*) ! 0.0976 2420:20 ----- 6.30, 7.29 A or (resid 26 and name HA) (resid 27 and name HG11) ! 0.0947 2420:20 ----- 6.33, 6.50 A or (resid 52 and name HA) (resid 53 and name HG*) ! 0.0932 2420:20 ----- 6.35, 6.54 A assign (resid 35 and name HA) (resid 40 and name HG11) 3.65 1.85 1.85 ! 0.9305 2422:20 Ambig 2.95, 3.25 A or (resid 39 and name HA2) (resid 40 and name HG11) ! 0.0695 2422:20 ----- 4.55, 4.65 A assign (resid 32 and name HN) (resid 29 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2423:20 Mid 5.42, 6.20 A assign (resid 30 and name HG) (resid 54 and name HB*) 4.15 2.35 2.35 ! 0.0000 2424:20 Long 4.91, 6.95 A assign (resid 71 and name HG2) (resid 54 and name HB*) 4.15 2.35 2.35 ! 0.0000 2425:20 Long 4.32, 6.60 A assign (resid 53 and name HB1) (resid 54 and name HB*) 3.65 1.85 1.85 ! 0.0000 2427:20 Seq 5.99, 6.54 A assign (resid 13 and name HA) (resid 5 and name HG2*) 3.15 1.35 1.35 ! 0.0000 2428:20 Long 3.87, 4.96 A assign (resid 10 and name HB1) (resid 5 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2429:20 Long 5.79, 6.59 A assign (resid 101 and name HA) (resid 91 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2430:20 Long 4.13, 5.44 A assign (resid 100 and name HN) (resid 94 and name HB*) 3.65 1.85 1.85 ! 0.0000 2431:20 Long 5.33, 6.49 A assign (resid 105 and name HA) (resid 16 and name HG2*) 3.65 1.85 1.85 ! 0.0000 2432:20 Long 5.37, 6.31 A assign (resid 80 and name HA) (resid 76 and name HB*) 3.65 1.85 1.85 ! 0.8764 2433:20 Ambig 4.71, 5.88 A or (resid 5 and name HA) (resid 76 and name HB*) ! 0.1236 2433:20 ----- 6.52, 7.67 A assign (resid 17 and name HG) (resid 48 and name HD2) 2.65 0.85 0.85 ! 0.5628 2437:20 Ambig 2.62, 3.42 A or (resid 17 and name HB2) (resid 48 and name HD2) ! 0.4372 2437:20 ----- 2.73, 5.05 A assign (resid 44 and name HN) (resid 43 and name HB1) 3.65 1.85 1.85 ! 0.0000 2438:20 Seq 2.17, 3.05 A assign (resid 65 and name HD1*) (resid 92 and name HB1) 3.65 1.85 1.85 ! 0.4999 2439:20 Ambig 4.84, 6.59 A or (resid 65 and name HD2*) (resid 92 and name HB1) ! 0.3047 2439:20 ----- 5.26, 7.14 A or (resid 91 and name HD1*) (resid 92 and name HB1) ! 0.1223 2439:20 ----- 6.13, 7.67 A or (resid 73 and name HD1*) (resid 92 and name HB1) ! 0.0731 2439:20 ----- 6.67, 7.69 A assign (resid 79 and name HB1) (resid 80 and name HB1) 4.15 2.35 2.35 ! 0.0000 2440:20 Seq 5.15, 5.44 A assign (resid 84 and name HN) (resid 72 and name HB*) 4.15 2.35 2.35 ! 0.0000 2443:20 Long 5.47, 6.67 A assign (resid 87 and name HB2) (resid 8 and name HA) 3.15 1.35 1.35 ! 0.5971 2444:20 Ambig 4.13, 4.78 A or (resid 100 and name HB1) (resid 99 and name HA) ! 0.2891 2444:20 ----- 4.66, 4.79 A or (resid 80 and name HB1) (resid 99 and name HA) ! 0.1138 2444:20 ----- 5.44, 6.62 A assign (resid 100 and name HB2) (resid 99 and name HA) 3.65 1.85 1.85 ! 0.0000 2445:20 Seq 4.50, 4.52 A assign (resid 65 and name HN) (resid 64 and name HB2) 3.65 1.85 1.85 ! 0.0000 2446:20 Seq 3.44, 3.88 A assign (resid 25 and name HN) (resid 24 and name HE*) 3.65 1.85 1.85 ! 0.9970 2448:20 Seq 2.12, 4.19 A assign (resid 14 and name HN) (resid 14 and name HE*) 4.15 2.35 2.35 ! 0.0000 2449:20 Intra 3.17, 4.55 A assign (resid 37 and name HN) (resid 37 and name HE*) 3.65 1.85 1.85 ! 0.0000 2450:20 Intra 3.71, 5.06 A assign (resid 104 and name HN) (resid 86 and name HG2) 3.65 1.85 1.85 ! 0.9823 2451:20 Long 2.63, 3.42 A assign (resid 34 and name HD*) (resid 37 and name HE*) 3.65 1.85 1.85 ! 0.0000 2453:20 Mid 2.21, 6.35 A assign (resid 106 and name HN) (resid 106 and name HG1) 3.65 1.85 1.85 ! 0.9636 2456:20 Intra 2.43, 3.69 A assign (resid 87 and name HN) (resid 86 and name HB2) 3.15 1.35 1.35 ! 0.0000 2459:20 Seq 2.82, 3.25 A assign (resid 68 and name HD*) (resid 69 and name HG1) 3.65 1.85 1.85 ! 0.4509 2460:20 Ambig 2.09, 5.40 A or (resid 69 and name HN) (resid 69 and name HG1) ! 0.3138 2460:20 ----- 2.21, 3.28 A or (resid 68 and name HE*) (resid 69 and name HG1) ! 0.2352 2460:20 ----- 2.32, 5.38 A assign (resid 86 and name HN) (resid 86 and name HB1) 3.15 1.35 1.35 ! 0.0000 2461:20 Intra 3.55, 3.61 A assign (resid 104 and name HA) (resid 107 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2462:20 Mid 3.45, 5.16 A assign (resid 66 and name HD1) (resid 65 and name HD1*) 3.65 1.85 1.85 ! 0.0000 2463:20 Seq 4.82, 6.04 A assign (resid 89 and name HB1) (resid 65 and name HD1*) 3.65 1.85 1.85 ! 0.9918 2464:20 Long 2.34, 4.78 A assign (resid 38 and name HN) (resid 37 and name HD*) 3.15 1.35 1.35 ! 0.9621 2465:20 Seq 2.74, 4.84 A assign (resid 91 and name HA) (resid 91 and name HB) 3.15 1.35 1.35 ! 0.0000 2466:20 Intra 3.02, 3.03 A assign (resid 16 and name HA) (resid 16 and name HB) 3.65 1.85 1.85 ! 0.0000 2467:20 Intra 2.46, 2.50 A assign (resid 105 and name HA) (resid 108 and name HB2) 3.65 1.85 1.85 ! 0.9947 2468:20 Mid 2.06, 2.54 A assign (resid 105 and name HA) (resid 108 and name HB1) 3.65 1.85 1.85 ! 0.4567 2469:20 Ambig 3.71, 4.14 A or (resid 111 and name HB*) (resid 108 and name HB1) ! 0.3680 2469:20 ----- 3.85, 5.44 A or (resid 19 and name HB1) (resid 108 and name HB1) ! 0.1753 2469:20 ----- 4.36, 4.92 A assign (resid 28 and name HG2*) (resid 71 and name HG1) 3.15 1.35 1.35 ! 0.8604 2470:20 Ambig 2.11, 4.30 A or (resid 75 and name HG2*) (resid 71 and name HG1) ! 0.1396 2470:20 ----- 2.85, 3.97 A assign (resid 28 and name HG2*) (resid 71 and name HG2) 3.65 1.85 1.85 ! 0.8294 2471:20 Ambig 2.12, 3.46 A or (resid 75 and name HG2*) (resid 71 and name HG2) ! 0.1706 2471:20 ----- 2.76, 4.14 A assign (resid 71 and name HA) (resid 71 and name HG2) 3.65 1.85 1.85 ! 0.0000 2472:20 Intra 3.05, 3.36 A assign (resid 71 and name HA) (resid 71 and name HG1) 3.65 1.85 1.85 ! 0.0000 2473:20 Intra 2.45, 2.65 A assign (resid 46 and name HD1*) (resid 43 and name HB2) 3.65 1.85 1.85 ! 0.5100 2475:20 Ambig 3.69, 5.93 A or (resid 46 and name HD1*) (resid 43 and name HB1) ! 0.4900 2475:20 ----- 3.72, 6.15 A assign (resid 65 and name HG) (resid 89 and name HB1) 3.65 1.85 1.85 ! 0.8187 2476:20 Ambig 2.70, 4.21 A or (resid 88 and name HD*) (resid 89 and name HB1) ! 0.0932 2476:20 ----- 3.88, 7.40 A or (resid 93 and name HG2) (resid 89 and name HB1) ! 0.0799 2476:20 ----- 3.98, 6.40 A assign (resid 88 and name HB*) (resid 89 and name HB1) 3.65 1.85 1.85 ! 0.5167 2477:20 Ambig 4.46, 5.73 A or (resid 65 and name HB1) (resid 89 and name HB1) ! 0.2455 2477:20 ----- 5.05, 5.82 A or (resid 93 and name HB2) (resid 89 and name HB1) ! 0.2378 2477:20 ----- 5.07, 5.50 A assign (resid 79 and name HG) (resid 78 and name HG1) 3.65 1.85 1.85 ! 0.0000 2478:20 Seq 2.39, 4.68 A assign (resid 4 and name HN) (resid 4 and name HB) 3.15 1.35 1.35 ! 0.0000 2479:20 Intra 2.52, 2.57 A assign (resid 94 and name HB*) (resid 99 and name HB) 2.65 0.85 0.85 ! 0.9572 2481:20 Long 2.01, 3.23 A assign (resid 104 and name HD1*) (resid 86 and name HB1) 3.15 1.35 1.35 ! 0.9087 2482:20 Ambig 4.79, 5.78 A or (resid 104 and name HG2*) (resid 86 and name HB1) ! 0.0913 2482:20 ----- 7.03, 7.82 A assign (resid 85 and name HB*) (resid 86 and name HB1) 4.15 2.35 2.35 ! 0.0000 2483:20 Seq 5.92, 6.76 A assign (resid 87 and name HN) (resid 86 and name HB1) 3.15 1.35 1.35 ! 0.0000 2485:20 Seq 3.38, 3.89 A assign (resid 69 and name HG1) (resid 65 and name HD1*) 3.65 1.85 1.85 ! 0.7261 2486:20 Ambig 3.79, 5.81 A or (resid 90 and name HB) (resid 65 and name HD1*) ! 0.2739 2486:20 ----- 4.45, 5.51 A assign (resid 73 and name HA) (resid 73 and name HB) 3.15 1.35 1.35 ! 0.9809 2487:20 Intra 3.03, 3.03 A assign (resid 53 and name HG*) (resid 78 and name HG1) 4.15 2.35 2.35 ! 0.5140 2488:20 Ambig 4.84, 6.53 A or (resid 79 and name HB1) (resid 78 and name HG1) ! 0.4860 2488:20 ----- 4.88, 6.98 A assign (resid 46 and name HD1*) (resid 43 and name HB1) 3.65 1.85 1.85 ! 0.0000 2489:20 Mid 3.72, 6.15 A assign (resid 13 and name HB2) (resid 13 and name HA) 2.65 0.85 0.85 ! 0.5323 2490:20 Ambig 2.39, 2.75 A or (resid 13 and name HG) (resid 13 and name HA) ! 0.4263 2490:20 ----- 2.48, 3.06 A assign (resid 77 and name HE*) (resid 74 and name HE*) 3.15 1.35 1.35 ! 0.9358 2491:20 Ambig 4.26, 5.65 A or (resid 97 and name HN) (resid 74 and name HE*) ! 0.0642 2491:20 ----- 6.66, 7.59 A assign (resid 67 and name HB1) (resid 67 and name HA) 3.15 1.35 1.35 ! 0.5394 2492:20 Ambig 2.41, 2.68 A or (resid 96 and name HB1) (resid 96 and name HA) ! 0.4606 2492:20 ----- 2.47, 2.51 A assign (resid 20 and name HB2) (resid 107 and name HD2*) 3.65 1.85 1.85 ! 0.0000 2493:20 Long 3.68, 4.83 A assign (resid 16 and name HA) (resid 107 and name HD2*) 3.65 1.85 1.85 ! 0.0000 2494:20 Long 5.44, 6.43 A assign (resid 40 and name HD1*) (resid 11 and name HA2) 4.15 2.35 2.35 ! 0.0000 2495:20 Long 3.18, 5.66 A assign (resid 11 and name HN) (resid 40 and name HD1*) 4.15 2.35 2.35 ! 0.0000 2496:20 Long 2.70, 5.06 A assign (resid 15 and name HN) (resid 104 and name HG2*) 4.15 2.35 2.35 ! 0.0000 2497:20 Long 5.08, 6.24 A assign (resid 19 and name HN) (resid 18 and name HA2) 3.65 1.85 1.85 ! 0.5088 2499:20 Ambig 3.37, 3.49 A or (resid 77 and name HE*) (resid 98 and name HA1) ! 0.4477 2499:20 ----- 3.44, 6.44 A assign (resid 17 and name HG) (resid 18 and name HA2) 3.15 1.35 1.35 ! 0.6977 2500:20 Ambig 3.29, 3.98 A or (resid 17 and name HB2) (resid 18 and name HA2) ! 0.1327 2500:20 ----- 4.34, 5.48 A or (resid 97 and name HB2) (resid 98 and name HA1) ! 0.0801 2500:20 ----- 4.72, 4.92 A or (resid 97 and name HB1) (resid 98 and name HA1) ! 0.0789 2500:20 ----- 4.73, 4.89 A assign (resid 17 and name HD1*) (resid 48 and name HG1) 3.65 1.85 1.85 ! 0.0000 2501:20 Long 4.81, 6.49 A assign (resid 112 and name HN) (resid 111 and name HB*) 3.65 1.85 1.85 ! 0.7188 2502:20 Ambig 2.02, 3.73 A or (resid 111 and name HN) (resid 111 and name HB*) ! 0.2748 2502:20 ----- 2.37, 2.93 A assign (resid 21 and name HB*) (resid 111 and name HB*) 4.15 2.35 2.35 ! 0.0000 2503:20 Long 5.32, 7.78 A assign (resid 45 and name HN) (resid 42 and name HA) 3.65 1.85 1.85 ! 0.0000 2504:20 Mid 3.10, 3.31 A assign (resid 46 and name HN) (resid 42 and name HA) 3.65 1.85 1.85 ! 0.7714 2505:20 Ambig 4.01, 4.26 A or (resid 99 and name HN) (resid 96 and name HA) ! 0.1140 2505:20 ----- 5.52, 5.70 A or (resid 65 and name HN) (resid 67 and name HA) ! 0.0719 2505:20 ----- 5.96, 6.84 A assign (resid 46 and name HN) (resid 42 and name HG11) 3.65 1.85 1.85 ! 0.0000 2506:20 Mid 3.51, 3.83 A assign (resid 47 and name HN) (resid 43 and name HA) 3.15 1.35 1.35 ! 0.0000 2507:20 Mid 3.52, 3.89 A assign (resid 46 and name HN) (resid 43 and name HA) 3.15 1.35 1.35 ! 0.0000 2508:20 Mid 2.95, 3.52 A assign (resid 11 and name HN) (resid 13 and name HD1*) 3.65 1.85 1.85 ! 0.5077 2509:20 Ambig 1.95, 4.21 A or (resid 11 and name HN) (resid 13 and name HD2*) ! 0.4923 2509:20 ----- 1.96, 4.68 A assign (resid 10 and name HN) (resid 13 and name HD2*) 3.65 1.85 1.85 ! 0.4223 2510:20 Ambig 4.26, 6.46 A or (resid 10 and name HN) (resid 13 and name HD1*) ! 0.3759 2510:20 ----- 4.35, 6.21 A or (resid 46 and name HN) (resid 13 and name HD2*) ! 0.1205 2510:20 ----- 5.25, 7.29 A or (resid 46 and name HN) (resid 13 and name HD1*) ! 0.0812 2510:20 ----- 5.61, 7.29 A assign (resid 74 and name HE*) (resid 77 and name HB1) 3.65 1.85 1.85 ! 0.9880 2511:20 Mid 2.31, 3.46 A assign (resid 99 and name HG2*) (resid 77 and name HB1) 3.65 1.85 1.85 ! 0.4751 2512:20 Ambig 4.10, 4.73 A or (resid 97 and name HD1*) (resid 77 and name HB1) ! 0.4142 2512:20 ----- 4.20, 5.50 A or (resid 99 and name HG1*) (resid 77 and name HB1) ! 0.0641 2512:20 ----- 5.73, 6.69 A assign (resid 97 and name HB1) (resid 77 and name HB2) 3.65 1.85 1.85 ! 0.0000 2513:20 Long 3.50, 4.15 A assign (resid 99 and name HG2*) (resid 77 and name HB2) 3.65 1.85 1.85 ! 0.9724 2514:20 Long 2.46, 3.25 A assign (resid 21 and name HN) (resid 21 and name HB*) 3.65 1.85 1.85 ! 0.0000 2515:20 Intra 2.44, 3.63 A assign (resid 88 and name HG1) (resid 88 and name HA) 3.15 1.35 1.35 ! 0.5508 2516:20 Ambig 2.40, 3.03 A or (resid 88 and name HG2) (resid 88 and name HA) ! 0.4334 2516:20 ----- 2.49, 3.27 A assign (resid 18 and name HN) (resid 14 and name HA) 3.65 1.85 1.85 ! 0.9865 2517:20 Mid 3.43, 4.07 A assign (resid 12 and name HN) (resid 15 and name HB2) 3.65 1.85 1.85 ! 0.5244 2518:20 Ambig 5.25, 5.94 A or (resid 18 and name HN) (resid 15 and name HB2) ! 0.4756 2518:20 ----- 5.33, 5.60 A assign (resid 19 and name HN) (resid 16 and name HA) 3.65 1.85 1.85 ! 0.9931 2519:20 Mid 3.20, 3.63 A assign (resid 19 and name HN) (resid 17 and name HA) 3.65 1.85 1.85 ! 0.0000 2520:20 Mid 4.19, 4.51 A assign (resid 7 and name HB2) (resid 69 and name HG1) 3.65 1.85 1.85 ! 0.8251 2521:20 Ambig 2.92, 4.88 A or (resid 65 and name HB2) (resid 69 and name HG1) ! 0.1618 2521:20 ----- 3.84, 5.47 A assign (resid 90 and name HG2*) (resid 69 and name HG1) 3.65 1.85 1.85 ! 0.0000 2522:20 Long 2.36, 3.76 A assign (resid 65 and name HD2*) (resid 69 and name HG1) 3.65 1.85 1.85 ! 0.9038 2523:20 Ambig 2.63, 4.97 A or (resid 90 and name HG1*) (resid 69 and name HG1) ! 0.0747 2523:20 ----- 3.99, 5.31 A assign (resid 12 and name HG1) (resid 86 and name HB1) 3.65 1.85 1.85 ! 0.6644 2524:20 Ambig 4.37, 6.80 A or (resid 9 and name HB*) (resid 86 and name HB1) ! 0.3356 2524:20 ----- 4.89, 6.32 A assign (resid 8 and name HB1) (resid 86 and name HB1) 3.65 1.85 1.85 ! 0.0000 2525:20 Long 3.63, 5.26 A assign (resid 8 and name HA) (resid 86 and name HB1) 3.65 1.85 1.85 ! 0.0000 2526:20 Long 5.27, 5.83 A assign (resid 9 and name HN) (resid 86 and name HB1) 4.15 2.35 2.35 ! 0.7067 2527:20 Ambig 5.77, 6.27 A or (resid 8 and name HN) (resid 86 and name HB1) ! 0.2933 2527:20 ----- 6.68, 7.25 A assign (resid 22 and name HA) (resid 21 and name HB*) 3.65 1.85 1.85 ! 0.5130 2528:20 Ambig 3.69, 4.42 A or (resid 60 and name HA) (resid 61 and name HB2) ! 0.2091 2528:20 ----- 4.28, 4.58 A or (resid 85 and name HA) (resid 86 and name HB2) ! 0.1931 2528:20 ----- 4.34, 4.44 A or (resid 111 and name HA) (resid 21 and name HB*) ! 0.0502 2528:20 ----- 5.43, 7.78 A assign (resid 8 and name HA) (resid 86 and name HB2) 3.65 1.85 1.85 ! 0.6762 2529:20 Ambig 3.90, 4.32 A or (resid 62 and name HA) (resid 61 and name HB2) ! 0.3238 2529:20 ----- 4.40, 5.32 A assign (resid 8 and name HB1) (resid 86 and name HB2) 3.65 1.85 1.85 ! 0.9897 2530:20 Long 2.26, 3.93 A assign (resid 11 and name HA2) (resid 41 and name HB2) 3.65 1.85 1.85 ! 0.9132 2531:20 Ambig 2.93, 6.67 A or (resid 40 and name HA) (resid 41 and name HB2) ! 0.0736 2531:20 ----- 4.46, 5.06 A assign (resid 40 and name HA) (resid 41 and name HB1) 3.65 1.85 1.85 ! 0.4652 2532:20 Ambig 4.54, 5.23 A or (resid 11 and name HA2) (resid 41 and name HB1) ! 0.3921 2532:20 ----- 4.67, 7.12 A or (resid 45 and name HA) (resid 41 and name HB1) ! 0.1426 2532:20 ----- 5.53, 7.34 A assign (resid 44 and name HB*) (resid 41 and name HB1) 3.65 1.85 1.85 ! 0.9970 2533:20 Mid 2.06, 4.38 A assign (resid 46 and name HB1) (resid 43 and name HB1) 4.15 2.35 2.35 ! 0.5367 2534:20 Ambig 5.91, 6.82 A or (resid 42 and name HB) (resid 43 and name HB1) ! 0.4633 2534:20 ----- 6.06, 6.89 A assign (resid 40 and name HG2*) (resid 41 and name HB2) 3.65 1.85 1.85 ! 0.0000 2535:20 Seq 3.34, 5.25 A assign (resid 40 and name HG2*) (resid 41 and name HB1) 3.65 1.85 1.85 ! 0.0000 2536:20 Seq 3.77, 5.62 A assign (resid 35 and name HN) (resid 10 and name HE*) 3.65 1.85 1.85 ! 0.9631 1:60 Long 2.29, 4.67 A assign (resid 24 and name HN) (resid 23 and name HD*) 3.15 1.35 1.35 ! 0.0000 5:60 Seq 3.45, 4.81 A assign (resid 10 and name HN) (resid 10 and name HD*) 3.15 1.35 1.35 ! 0.9947 6:60 Intra 2.07, 3.76 A assign (resid 10 and name HE*) (resid 10 and name HD*) 2.30 0.50 0.50 ! 0.0000 8:60 Intra 2.44, 3.68 A assign (resid 77 and name HE*) (resid 77 and name HD*) 2.30 0.50 0.50 ! 0.0000 9:60 Intra 2.44, 3.69 A assign (resid 55 and name HE*) (resid 57 and name HD2) 3.65 1.85 1.85 ! 0.9507 11:60 Mid 2.51, 6.64 A assign (resid 77 and name HD*) (resid 77 and name HE*) 2.30 0.50 0.50 ! 0.0000 12:60 Intra 2.44, 3.69 A assign (resid 34 and name HE*) (resid 34 and name HD*) 2.30 0.50 0.50 ! 0.9953 15:60 Intra 2.45, 3.68 A assign (resid 10 and name HD*) (resid 10 and name HE*) 2.30 0.50 0.50 ! 0.0000 16:60 Intra 2.44, 3.68 A assign (resid 34 and name HE*) (resid 68 and name HE*) 3.15 1.35 1.35 ! 0.0000 17:60 Long 3.20, 5.27 A assign (resid 34 and name HD*) (resid 34 and name HE*) 2.65 0.85 0.85 ! 0.8295 19:60 Ambig 2.45, 3.68 A or (resid 68 and name HE*) (resid 34 and name HE*) ! 0.1666 19:60 ----- 3.20, 5.27 A assign (resid 34 and name HD*) (resid 10 and name HD*) 3.15 1.35 1.35 ! 0.9867 21:60 Long 2.06, 6.13 A assign (resid 57 and name HA) (resid 55 and name HD*) 4.15 2.35 2.35 ! 0.0000 34:60 Mid 2.51, 6.04 A assign (resid 23 and name HA) (resid 23 and name HD*) 2.65 0.85 0.85 ! 0.9957 35:60 Intra 1.94, 3.52 A assign (resid 111 and name HA) (resid 23 and name HE*) 3.15 1.35 1.35 ! 0.9150 36:60 Ambig 2.74, 7.09 A or (resid 23 and name HA) (resid 23 and name HE*) ! 0.0547 36:60 ----- 4.38, 5.36 A assign (resid 6 and name HA) (resid 10 and name HE*) 3.65 1.85 1.85 ! 0.5095 38:60 Ambig 4.26, 6.18 A or (resid 10 and name HA) (resid 10 and name HE*) ! 0.4905 38:60 ----- 4.28, 5.17 A assign (resid 10 and name HA) (resid 10 and name HD*) 2.30 0.50 0.50 ! 0.9977 39:60 Intra 1.95, 3.31 A assign (resid 10 and name HB2) (resid 10 and name HD*) 3.15 1.35 1.35 ! 0.9526 46:60 Intra 2.47, 3.06 A assign (resid 55 and name HB2) (resid 57 and name HD2) 3.65 1.85 1.85 ! 0.6287 47:60 Ambig 2.47, 7.97 A or (resid 57 and name HB2) (resid 57 and name HD2) ! 0.3204 47:60 ----- 2.77, 3.56 A or (resid 55 and name HB1) (resid 57 and name HD2) ! 0.0509 47:60 ----- 3.76, 7.18 A assign (resid 55 and name HB2) (resid 55 and name HD*) 3.15 1.35 1.35 ! 0.8697 48:60 Ambig 2.28, 3.06 A or (resid 57 and name HB2) (resid 55 and name HD*) ! 0.1303 48:60 ----- 3.12, 5.93 A assign (resid 68 and name HB*) (resid 68 and name HD*) 2.65 0.85 0.85 ! 0.0000 49:60 Intra 2.24, 3.05 A assign (resid 25 and name HB*) (resid 25 and name HD*) 3.15 1.35 1.35 ! 0.9830 50:60 Intra 2.29, 3.04 A assign (resid 68 and name HB*) (resid 68 and name HE*) 3.15 1.35 1.35 ! 0.0000 51:60 Intra 4.52, 5.04 A assign (resid 2 and name HB*) (resid 2 and name HD*) 3.15 1.35 1.35 ! 0.9843 52:60 Intra 2.30, 3.03 A assign (resid 57 and name HB1) (resid 57 and name HD2) 3.15 1.35 1.35 ! 0.0000 53:60 Intra 2.78, 3.39 A assign (resid 1 and name HG2) (resid 23 and name HE*) 3.65 1.85 1.85 ! 0.8181 54:60 Ambig 2.94, 5.48 A or (resid 22 and name HB2) (resid 23 and name HE*) ! 0.1819 54:60 ----- 3.77, 6.83 A assign (resid 1 and name HB*) (resid 23 and name HD*) 2.30 0.50 0.50 ! 0.6363 55:60 Ambig 2.07, 5.13 A or (resid 23 and name HB2) (resid 23 and name HD*) ! 0.3544 55:60 ----- 2.28, 3.03 A assign (resid 1 and name HB*) (resid 23 and name HE*) 2.65 0.85 0.85 ! 0.8344 56:60 Ambig 2.28, 5.32 A or (resid 1 and name HE*) (resid 23 and name HE*) ! 0.1529 56:60 ----- 3.02, 6.34 A assign (resid 74 and name HG1) (resid 55 and name HD*) 3.65 1.85 1.85 ! 0.0000 57:60 Long 3.49, 5.23 A assign (resid 5 and name HB) (resid 10 and name HE*) 3.65 1.85 1.85 ! 0.9780 58:60 Long 2.78, 5.32 A assign (resid 69 and name HG2) (resid 68 and name HD*) 2.65 0.85 0.85 ! 0.7582 59:60 Ambig 2.25, 4.63 A or (resid 69 and name HB1) (resid 68 and name HD*) ! 0.2294 59:60 ----- 2.75, 6.28 A assign (resid 69 and name HG2) (resid 68 and name HE*) 2.65 0.85 0.85 ! 0.7058 60:60 Ambig 2.38, 4.85 A or (resid 66 and name HG1) (resid 68 and name HE*) ! 0.1691 60:60 ----- 3.02, 4.73 A or (resid 69 and name HB1) (resid 68 and name HE*) ! 0.1250 60:60 ----- 3.17, 6.90 A assign (resid 24 and name HB2) (resid 2 and name HD*) 3.15 1.35 1.35 ! 0.6057 61:60 Ambig 3.64, 5.31 A or (resid 51 and name HG12) (resid 2 and name HD*) ! 0.2944 61:60 ----- 4.11, 6.34 A or (resid 79 and name HG) (resid 2 and name HD*) ! 0.0999 61:60 ----- 4.92, 6.01 A assign (resid 23 and name HB1) (resid 23 and name HE*) 3.15 1.35 1.35 ! 0.0000 63:60 Intra 4.65, 5.04 A assign (resid 23 and name HB1) (resid 23 and name HD*) 2.30 0.50 0.50 ! 0.9955 64:60 Intra 2.40, 3.06 A assign (resid 40 and name HB) (resid 10 and name HD*) 3.15 1.35 1.35 ! 0.4726 65:60 Ambig 2.83, 5.22 A or (resid 35 and name HB*) (resid 10 and name HD*) ! 0.4531 65:60 ----- 2.85, 5.39 A or (resid 7 and name HG*) (resid 10 and name HD*) ! 0.0355 65:60 ----- 4.36, 6.39 A assign (resid 7 and name HG*) (resid 68 and name HD*) 2.65 0.85 0.85 ! 0.9151 66:60 Ambig 1.90, 4.30 A or (resid 66 and name HG2) (resid 68 and name HD*) ! 0.0431 66:60 ----- 3.16, 4.98 A assign (resid 35 and name HB*) (resid 10 and name HE*) 2.65 0.85 0.85 ! 0.8563 67:60 Ambig 1.92, 4.74 A or (resid 27 and name HG11) (resid 10 and name HE*) ! 0.0958 67:60 ----- 2.77, 4.87 A assign (resid 66 and name HG2) (resid 68 and name HE*) 2.65 0.85 0.85 ! 0.6150 68:60 Ambig 2.72, 3.91 A or (resid 66 and name HB1) (resid 68 and name HE*) ! 0.2998 68:60 ----- 3.07, 4.13 A or (resid 7 and name HG*) (resid 68 and name HE*) ! 0.0787 68:60 ----- 3.83, 5.85 A assign (resid 7 and name HA) (resid 10 and name HD*) 3.15 1.35 1.35 ! 0.9009 69:60 Ambig 2.01, 3.62 A or (resid 13 and name HB1) (resid 10 and name HD*) ! 0.0548 69:60 ----- 3.20, 6.40 A assign (resid 24 and name HB1) (resid 2 and name HD*) 3.15 1.35 1.35 ! 0.6756 70:60 Ambig 2.05, 3.84 A or (resid 24 and name HG1) (resid 2 and name HD*) ! 0.2775 70:60 ----- 2.37, 4.84 A assign (resid 27 and name HG12) (resid 10 and name HE*) 3.15 1.35 1.35 ! 0.9054 71:60 Ambig 2.73, 4.55 A or (resid 7 and name HB2) (resid 10 and name HE*) ! 0.0417 71:60 ----- 4.56, 5.74 A or (resid 42 and name HG11) (resid 10 and name HE*) ! 0.0357 71:60 ----- 4.68, 7.21 A assign (resid 7 and name HB2) (resid 68 and name HD*) 3.15 1.35 1.35 ! 0.9185 73:60 Ambig 2.02, 4.24 A or (resid 7 and name HB1) (resid 68 and name HD*) ! 0.0815 73:60 ----- 3.03, 4.76 A assign (resid 7 and name HB2) (resid 68 and name HE*) 3.15 1.35 1.35 ! 0.8565 75:60 Ambig 2.65, 4.59 A or (resid 7 and name HB1) (resid 68 and name HE*) ! 0.1435 75:60 ----- 3.57, 5.34 A assign (resid 107 and name HD2*) (resid 23 and name HD*) 2.65 0.85 0.85 ! 0.7909 76:60 Ambig 2.98, 5.69 A or (resid 107 and name HD1*) (resid 23 and name HD*) ! 0.1915 76:60 ----- 3.78, 7.15 A assign (resid 107 and name HD2*) (resid 23 and name HE*) 2.65 0.85 0.85 ! 0.9494 77:60 Ambig 2.45, 5.26 A or (resid 107 and name HD1*) (resid 23 and name HE*) ! 0.0459 77:60 ----- 4.06, 7.31 A assign (resid 5 and name HG2*) (resid 10 and name HE*) 2.65 0.85 0.85 ! 0.8634 78:60 Ambig 2.07, 5.12 A or (resid 7 and name HB1) (resid 10 and name HE*) ! 0.1366 78:60 ----- 2.82, 4.47 A assign (resid 5 and name HG2*) (resid 10 and name HD*) 2.65 0.85 0.85 ! 0.0000 79:60 Long 2.42, 5.25 A assign (resid 26 and name HG2*) (resid 2 and name HD*) 2.65 0.85 0.85 ! 0.7604 82:60 Ambig 2.29, 4.20 A or (resid 51 and name HD1*) (resid 2 and name HD*) ! 0.2334 82:60 ----- 2.79, 5.67 A assign (resid 26 and name HG2*) (resid 2 and name HD*) 2.65 0.85 0.85 ! 0.5163 83:60 Ambig 2.29, 4.20 A or (resid 74 and name HB2) (resid 55 and name HD*) ! 0.3211 83:60 ----- 2.48, 4.37 A or (resid 51 and name HD1*) (resid 2 and name HD*) ! 0.1584 83:60 ----- 2.79, 5.67 A assign (resid 3 and name HB*) (resid 23 and name HD*) 2.65 0.85 0.85 ! 0.9025 84:60 Ambig 2.68, 4.57 A or (resid 84 and name HD1*) (resid 23 and name HD*) ! 0.0975 84:60 ----- 3.88, 6.82 A assign (resid 84 and name HD1*) (resid 25 and name HD*) 2.65 0.85 0.85 ! 0.5659 86:60 Ambig 2.34, 5.34 A or (resid 3 and name HB*) (resid 25 and name HD*) ! 0.2744 86:60 ----- 2.64, 4.77 A or (resid 16 and name HD1*) (resid 25 and name HD*) ! 0.1347 86:60 ----- 2.97, 6.23 A assign (resid 73 and name HG2*) (resid 77 and name HD*) 3.15 1.35 1.35 ! 0.0000 87:60 Mid 4.67, 6.39 A assign (resid 82 and name HD1*) (resid 23 and name HD*) 3.15 1.35 1.35 ! 0.9081 89:60 Ambig 3.38, 6.35 A or (resid 82 and name HD2*) (resid 23 and name HD*) ! 0.0919 89:60 ----- 4.95, 6.83 A assign (resid 82 and name HD1*) (resid 23 and name HE*) 2.65 0.85 0.85 ! 0.7797 90:60 Ambig 2.73, 5.81 A or (resid 82 and name HD2*) (resid 23 and name HE*) ! 0.2203 90:60 ----- 3.38, 5.56 A assign (resid 27 and name HD1*) (resid 10 and name HE*) 2.65 0.85 0.85 ! 0.4322 91:60 Ambig 2.07, 4.11 A or (resid 42 and name HD1*) (resid 10 and name HE*) ! 0.4178 91:60 ----- 2.08, 5.27 A or (resid 13 and name HD2*) (resid 10 and name HE*) ! 0.0875 91:60 ----- 2.70, 5.78 A or (resid 13 and name HD1*) (resid 10 and name HE*) ! 0.0625 91:60 ----- 2.86, 5.51 A assign (resid 13 and name HD1*) (resid 10 and name HD*) 2.65 0.85 0.85 ! 0.5128 92:60 Ambig 2.00, 5.01 A or (resid 13 and name HD2*) (resid 10 and name HD*) ! 0.4750 92:60 ----- 2.02, 5.35 A assign (resid 57 and name HA) (resid 57 and name HD2) 3.65 1.85 1.85 ! 0.9794 95:60 Intra 2.25, 3.57 A assign (resid 107 and name HA) (resid 23 and name HE*) 3.65 1.85 1.85 ! 0.0000 97:60 Long 4.91, 6.98 A assign (resid 24 and name HB2) (resid 2 and name HD*) 3.15 1.35 1.35 ! 0.5306 99:60 Ambig 3.64, 5.31 A or (resid 51 and name HG12) (resid 2 and name HD*) ! 0.2579 99:60 ----- 4.11, 6.34 A or (resid 24 and name HD2) (resid 2 and name HD*) ! 0.1820 99:60 ----- 4.35, 6.75 A assign (resid 82 and name HG) (resid 23 and name HE*) 2.65 0.85 0.85 ! 0.9946 102:60 Long 2.68, 4.12 A assign (resid 82 and name HG) (resid 23 and name HD*) 3.15 1.35 1.35 ! 0.9179 103:60 Ambig 3.75, 4.81 A or (resid 84 and name HG11) (resid 23 and name HD*) ! 0.0821 103:60 ----- 5.61, 7.25 A assign (resid 1 and name HG2) (resid 23 and name HD*) 3.65 1.85 1.85 ! 0.8450 104:60 Ambig 2.59, 5.08 A or (resid 22 and name HB2) (resid 23 and name HD*) ! 0.1550 104:60 ----- 3.43, 6.30 A assign (resid 23 and name HN) (resid 23 and name HD*) 2.65 0.85 0.85 ! 0.0000 106:60 Intra 2.78, 4.04 A assign (resid 10 and name HB1) (resid 10 and name HD*) 3.15 1.35 1.35 ! 0.0000 107:60 Intra 2.24, 3.06 A assign (resid 69 and name HG1) (resid 68 and name HD*) 3.15 1.35 1.35 ! 0.9843 108:60 Seq 2.09, 5.40 A assign (resid 3 and name HB*) (resid 23 and name HE*) 3.15 1.35 1.35 ! 0.6103 109:60 Ambig 4.28, 6.06 A or (resid 84 and name HD1*) (resid 23 and name HE*) ! 0.2199 109:60 ----- 5.08, 7.72 A or (resid 102 and name HD1*) (resid 23 and name HE*) ! 0.1698 109:60 ----- 5.30, 7.98 A assign (resid 97 and name HB1) (resid 77 and name HD*) 3.65 1.85 1.85 ! 0.7379 110:60 Ambig 2.15, 4.25 A or (resid 74 and name HE*) (resid 77 and name HD*) ! 0.2558 110:60 ----- 2.57, 4.49 A assign (resid 77 and name HB1) (resid 77 and name HD*) 3.65 1.85 1.85 ! 0.0000 111:60 Intra 2.29, 3.02 A assign (resid 77 and name HA) (resid 77 and name HD*) 3.65 1.85 1.85 ! 0.0000 112:60 Intra 2.62, 3.54 A assign (resid 5 and name HD1*) (resid 25 and name HD*) 3.15 1.35 1.35 ! 0.9284 114:60 Ambig 2.00, 4.96 A or (resid 17 and name HD2*) (resid 25 and name HD*) ! 0.0398 114:60 ----- 3.38, 6.59 A assign (resid 75 and name HG2*) (resid 55 and name HD*) 3.65 1.85 1.85 ! 0.9953 115:60 Long 2.13, 4.80 A
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