NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	10376	1poq	5836	cing	1-original	1	XPLOR/CNS	distance	NOE	simple

! derived from the 2D file(s):
! /homee/wai/SGI-HOME/aria/noe240303.peaks
! /homee/wai/SGI-HOME/aria/noe240303.prot
ASSI ( resid 99 and name HA )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 3 volume 0.000e+00 ppm1 5.243 ppm2 9.978
ASSI ( resid 99 and name HB2 )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 4 volume 0.000e+00 ppm1 1.762 ppm2 9.979
ASSI ( resid 99 and name HB3 )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 5 volume 0.000e+00 ppm1 1.429 ppm2 9.978
ASSI ( resid 99 and name hd# )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 6 volume 0.000e+00 ppm1 1.258 ppm2 9.978
ASSI ( resid 99 and name hg# )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 7 volume 0.000e+00 ppm1 0.949 ppm2 9.974
ASSI ( resid 62 and name HA )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 10 volume 0.000e+00 ppm1 4.594 ppm2 9.903
ASSI ( resid 62 and name HB )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 11 volume 0.000e+00 ppm1 1.738 ppm2 9.904
ASSI ( resid 62 and name hg1# )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 12 volume 0.000e+00 ppm1 0.859 ppm2 9.903
ASSI ( resid 62 and name hg2# )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 13 volume 0.000e+00 ppm1 0.691 ppm2 9.903
ASSI ( resid 112 and name HA )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 14 volume 0.000e+00 ppm1 5.109 ppm2 9.827
ASSI ( resid 112 and name HB2 )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 15 volume 0.000e+00 ppm1 2.119 ppm2 9.826
ASSI ( resid 112 and name HB3 )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 16 volume 0.000e+00 ppm1 1.141 ppm2 9.827
ASSI ( resid 78 and name HA )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 17 volume 0.000e+00 ppm1 5.038 ppm2 9.782
ASSI ( resid 78 and name HB2 )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 18 volume 0.000e+00 ppm1 3.131 ppm2 9.782
ASSI ( resid 78 and name HB3 )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 19 volume 0.000e+00 ppm1 2.432 ppm2 9.782
ASSI ( resid 21 and name HA )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 20 volume 0.000e+00 ppm1 4.750 ppm2 9.574
ASSI ( resid 21 and name HB2 )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 21 volume 0.000e+00 ppm1 3.258 ppm2 9.577
ASSI ( resid 21 and name HB3 )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 22 volume 0.000e+00 ppm1 2.880 ppm2 9.577
ASSI ( resid 64 and name HA )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 23 volume 0.000e+00 ppm1 5.262 ppm2 9.503
ASSI ( resid 64 and name HB2 )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 24 volume 0.000e+00 ppm1 1.906 ppm2 9.504
ASSI ( resid 64 and name HG )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 25 volume 0.000e+00 ppm1 1.426 ppm2 9.504
ASSI ( resid 64 and name HB3 )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 26 volume 0.000e+00 ppm1 1.534 ppm2 9.503
ASSI ( resid 100 and name HA )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 27 volume 0.000e+00 ppm1 4.476 ppm2 9.375
ASSI ( resid 100 and name HB )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 28 volume 0.000e+00 ppm1 1.344 ppm2 9.375
ASSI ( resid 100 and name hg1# )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 29 volume 0.000e+00 ppm1 0.581 ppm2 9.375
ASSI ( resid 100 and name hg2# )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 30 volume 0.000e+00 ppm1 0.453 ppm2 9.375
ASSI ( resid 100 and name hd1# )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 31 volume 0.000e+00 ppm1 0.120 ppm2 9.375
ASSI ( resid 51 and name HA )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 37 volume 0.000e+00 ppm1 5.260 ppm2 9.269
ASSI ( resid 51 and name HB3 )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 38 volume 0.000e+00 ppm1 3.086 ppm2 9.269
ASSI ( resid 51 and name HB2 )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 42 volume 0.000e+00 ppm1 3.332 ppm2 9.269
ASSI ( resid 25 and name HA )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 43 volume 0.000e+00 ppm1 4.673 ppm2 9.251
ASSI ( resid 25 and name HB )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 44 volume 0.000e+00 ppm1 1.570 ppm2 9.251
ASSI ( resid 25 and name hg1# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 45 volume 0.000e+00 ppm1 1.155 ppm2 9.252
ASSI ( resid 25 and name hg2# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 46 volume 0.000e+00 ppm1 1.070 ppm2 9.251
ASSI ( resid 25 and name hd1# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 47 volume 0.000e+00 ppm1 0.578 ppm2 9.251
ASSI ( resid 98 and name HA )
     ( resid 98 and name HN )
     6.0 0.1 0.1 peak 48 volume 0.000e+00 ppm1 5.214 ppm2 9.214
ASSI ( resid 98 and name HB2 )
     ( resid 98 and name HN )
     6.0 0.1 0.1 peak 49 volume 0.000e+00 ppm1 2.979 ppm2 9.210
ASSI ( resid 98 and name HB3 )
     ( resid 98 and name HN )
     6.0 0.1 0.1 peak 50 volume 0.000e+00 ppm1 2.845 ppm2 9.214
ASSI ( resid 103 and name HB3 )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 54 volume 0.000e+00 ppm1 2.296 ppm2 9.067
ASSI ( resid 52 and name HA )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 58 volume 0.000e+00 ppm1 4.772 ppm2 9.134
ASSI ( resid 52 and name HB2 )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 59 volume 0.000e+00 ppm1 3.972 ppm2 9.134
ASSI ( resid 52 and name HB3 )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 60 volume 0.000e+00 ppm1 3.415 ppm2 9.134
ASSI ( resid 117 and name HB2 )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 61 volume 0.000e+00 ppm1 3.301 ppm2 9.134
ASSI ( resid 117 and name HB3 )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 62 volume 0.000e+00 ppm1 3.029 ppm2 9.134
ASSI ( resid 59 and name HA )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 72 volume 0.000e+00 ppm1 5.441 ppm2 7.263
ASSI ( resid 59 and name HB2 )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 73 volume 0.000e+00 ppm1 2.696 ppm2 7.261
ASSI ( resid 59 and name HB3 )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 74 volume 0.000e+00 ppm1 2.511 ppm2 7.262
ASSI ( resid 59 and name HG2 )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 75 volume 0.000e+00 ppm1 1.961 ppm2 7.261
ASSI ( resid 59 and name HG3 )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 76 volume 0.000e+00 ppm1 1.682 ppm2 7.261
ASSI ( resid 131 and name HA )
     ( resid 131 and name HN )
     6.0 0.1 0.1 peak 78 volume 0.000e+00 ppm1 3.942 ppm2 6.864
ASSI ( resid 131 and name HB )
     ( resid 131 and name HN )
     6.0 0.1 0.1 peak 79 volume 0.000e+00 ppm1 2.046 ppm2 6.864
ASSI ( resid 131 and name hg1# )
     ( resid 131 and name HN )
     6.0 0.1 0.1 peak 80 volume 0.000e+00 ppm1 0.840 ppm2 6.864
ASSI ( resid 131 and name hg2# )
     ( resid 131 and name HN )
     6.0 0.1 0.1 peak 81 volume 0.000e+00 ppm1 0.742 ppm2 6.864
ASSI ( resid 125 and name HA )
     ( resid 125 and name HN )
     6.0 0.1 0.1 peak 89 volume 0.000e+00 ppm1 4.089 ppm2 7.375
ASSI ( resid 125 and name HB )
     ( resid 125 and name HN )
     6.0 0.1 0.1 peak 90 volume 0.000e+00 ppm1 2.245 ppm2 7.377
ASSI ( resid 125 and name hg1# )
     ( resid 125 and name HN )
     6.0 0.1 0.1 peak 91 volume 0.000e+00 ppm1 1.040 ppm2 7.377
ASSI ( resid 125 and name hg2# )
     ( resid 125 and name HN )
     6.0 0.1 0.1 peak 92 volume 0.000e+00 ppm1 0.926 ppm2 7.375
ASSI ( resid 76 and name HA )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 93 volume 0.000e+00 ppm1 4.704 ppm2 7.463
ASSI ( resid 76 and name HB2 )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 95 volume 0.000e+00 ppm1 1.865 ppm2 7.463
ASSI ( resid 76 and name HB3 )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 96 volume 0.000e+00 ppm1 1.790 ppm2 7.463
ASSI ( resid 76 and name hd# )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 97 volume 0.000e+00 ppm1 1.626 ppm2 7.463
ASSI ( resid 76 and name hg# )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 98 volume 0.000e+00 ppm1 1.526 ppm2 7.464
ASSI ( resid 82 and name HA )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 103 volume 0.000e+00 ppm1 4.977 ppm2 7.616
ASSI ( resid 82 and name hb# )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 104 volume 0.000e+00 ppm1 1.908 ppm2 7.617
ASSI ( resid 82 and name HD3 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 105 volume 0.000e+00 ppm1 1.721 ppm2 7.618
ASSI ( resid 82 and name HG2 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 106 volume 0.000e+00 ppm1 1.511 ppm2 7.617
ASSI ( resid 82 and name HG3 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 107 volume 0.000e+00 ppm1 1.374 ppm2 7.618
ASSI ( resid 61 and name HA )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 108 volume 0.000e+00 ppm1 5.028 ppm2 9.063
ASSI ( resid 81 and name HA )
     ( resid 81 and name HN )
     6.0 0.1 0.1 peak 120 volume 0.000e+00 ppm1 4.094 ppm2 9.074
ASSI ( resid 81 and name HB2 )
     ( resid 81 and name HN )
     6.0 0.1 0.1 peak 121 volume 0.000e+00 ppm1 3.240 ppm2 9.074
ASSI ( resid 81 and name HB3 )
     ( resid 81 and name HN )
     6.0 0.1 0.1 peak 122 volume 0.000e+00 ppm1 3.034 ppm2 9.073
ASSI ( resid 109 and name HA )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 123 volume 0.000e+00 ppm1 5.289 ppm2 8.623
ASSI ( resid 109 and name HB2 )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 124 volume 0.000e+00 ppm1 2.841 ppm2 8.623
ASSI ( resid 109 and name HB3 )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 125 volume 0.000e+00 ppm1 2.606 ppm2 8.623
ASSI ( resid 102 and name HA )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 126 volume 0.000e+00 ppm1 4.981 ppm2 8.839
ASSI ( resid 102 and name HB2 )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 127 volume 0.000e+00 ppm1 3.311 ppm2 8.838
ASSI ( resid 102 and name HB3 )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 128 volume 0.000e+00 ppm1 2.424 ppm2 8.838
ASSI ( resid 60 and name HA )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 129 volume 0.000e+00 ppm1 4.673 ppm2 8.843
ASSI ( resid 60 and name HB )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 130 volume 0.000e+00 ppm1 3.616 ppm2 8.843
ASSI ( resid 60 and name hg2# )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 131 volume 0.000e+00 ppm1 1.248 ppm2 8.843
ASSI ( resid 101 and name HA )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 132 volume 0.000e+00 ppm1 4.891 ppm2 8.897
ASSI ( resid 101 and name HB2 )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 133 volume 0.000e+00 ppm1 1.859 ppm2 8.897
ASSI ( resid 101 and name hg# )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 134 volume 0.000e+00 ppm1 1.300 ppm2 8.897
ASSI ( resid 31 and name HA )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 135 volume 0.000e+00 ppm1 4.297 ppm2 8.860
ASSI ( resid 31 and name HB )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 136 volume 0.000e+00 ppm1 1.565 ppm2 8.861
ASSI ( resid 31 and name hg1# )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 137 volume 0.000e+00 ppm1 0.902 ppm2 8.862
ASSI ( resid 31 and name hg2# )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 139 volume 0.000e+00 ppm1 0.702 ppm2 8.863
ASSI ( resid 65 and name HA )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 140 volume 0.000e+00 ppm1 4.985 ppm2 8.934
ASSI ( resid 65 and name HB2 )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 141 volume 0.000e+00 ppm1 1.658 ppm2 8.934
ASSI ( resid 65 and name HB3 )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 142 volume 0.000e+00 ppm1 1.463 ppm2 8.934
ASSI ( resid 73 and name HA1 )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 145 volume 0.000e+00 ppm1 4.492 ppm2 8.682
ASSI ( resid 73 and name HA2 )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 146 volume 0.000e+00 ppm1 3.806 ppm2 8.684
ASSI ( resid 22 and name HA )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 147 volume 0.000e+00 ppm1 4.955 ppm2 8.608
ASSI ( resid 22 and name HB )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 148 volume 0.000e+00 ppm1 3.985 ppm2 8.604
ASSI ( resid 22 and name hg2# )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 149 volume 0.000e+00 ppm1 1.080 ppm2 8.604
ASSI ( resid 113 and name HA )
     ( resid 113 and name HN )
     6.0 0.1 0.1 peak 150 volume 0.000e+00 ppm1 5.620 ppm2 8.494
ASSI ( resid 113 and name HB2 )
     ( resid 113 and name HN )
     6.0 0.1 0.1 peak 151 volume 0.000e+00 ppm1 2.680 ppm2 8.494
ASSI ( resid 113 and name HB3 )
     ( resid 113 and name HN )
     6.0 0.1 0.1 peak 152 volume 0.000e+00 ppm1 2.391 ppm2 8.493
ASSI ( resid 56 and name HA )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 153 volume 0.000e+00 ppm1 4.879 ppm2 8.281
ASSI ( resid 56 and name HB2 )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 154 volume 0.000e+00 ppm1 3.003 ppm2 8.281
ASSI ( resid 56 and name HB3 )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 155 volume 0.000e+00 ppm1 2.741 ppm2 8.281
ASSI ( resid 20 and name HA )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 156 volume 0.000e+00 ppm1 5.609 ppm2 8.122
ASSI ( resid 20 and name HB )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 157 volume 0.000e+00 ppm1 3.565 ppm2 8.122
ASSI ( resid 20 and name hg2# )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 158 volume 0.000e+00 ppm1 1.084 ppm2 8.122
ASSI ( resid 79 and name HA )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 159 volume 0.000e+00 ppm1 5.022 ppm2 8.033
ASSI ( resid 79 and name HB2 )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 160 volume 0.000e+00 ppm1 3.135 ppm2 8.029
ASSI ( resid 79 and name HB3 )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 161 volume 0.000e+00 ppm1 2.442 ppm2 8.033
ASSI ( resid 18 and name HA )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 163 volume 0.000e+00 ppm1 4.616 ppm2 7.904
ASSI ( resid 18 and name HB )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 164 volume 0.000e+00 ppm1 1.733 ppm2 7.904
ASSI ( resid 18 and name hg2# )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 166 volume 0.000e+00 ppm1 0.747 ppm2 7.903
ASSI ( resid 28 and name HA )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 167 volume 0.000e+00 ppm1 4.347 ppm2 8.427
ASSI ( resid 28 and name HB2 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 168 volume 0.000e+00 ppm1 2.071 ppm2 8.427
ASSI ( resid 28 and name HD3 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 169 volume 0.000e+00 ppm1 1.382 ppm2 8.427
ASSI ( resid 28 and name hg# )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 170 volume 0.000e+00 ppm1 1.127 ppm2 8.429
ASSI ( resid 30 and name HA )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 174 volume 0.000e+00 ppm1 5.690 ppm2 8.100
ASSI ( resid 30 and name HG3 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 175 volume 0.000e+00 ppm1 2.120 ppm2 8.103
ASSI ( resid 30 and name HB2 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 176 volume 0.000e+00 ppm1 1.992 ppm2 8.100
ASSI ( resid 50 and name HA )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 177 volume 0.000e+00 ppm1 4.787 ppm2 8.387
ASSI ( resid 50 and name hb# )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 178 volume 0.000e+00 ppm1 1.708 ppm2 8.387
ASSI ( resid 24 and name HA )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 179 volume 0.000e+00 ppm1 5.033 ppm2 8.394
ASSI ( resid 24 and name HB )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 180 volume 0.000e+00 ppm1 3.818 ppm2 8.394
ASSI ( resid 119 and name HA )
     ( resid 119 and name HN )
     6.0 0.1 0.1 peak 181 volume 0.000e+00 ppm1 4.531 ppm2 8.392
ASSI ( resid 119 and name HB2 )
     ( resid 119 and name HN )
     6.0 0.1 0.1 peak 183 volume 0.000e+00 ppm1 2.678 ppm2 8.393
ASSI ( resid 119 and name HB3 )
     ( resid 119 and name HN )
     6.0 0.1 0.1 peak 184 volume 0.000e+00 ppm1 2.582 ppm2 8.393
ASSI ( resid 24 and name hg2# )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 185 volume 0.000e+00 ppm1 1.063 ppm2 8.394
ASSI ( resid 45 and name HB2 )
     ( resid 45 and name HN )
     6.0 0.1 0.1 peak 187 volume 0.000e+00 ppm1 2.094 ppm2 8.356
ASSI ( resid 45 and name HB3 )
     ( resid 45 and name HN )
     6.0 0.1 0.1 peak 188 volume 0.000e+00 ppm1 1.979 ppm2 8.356
ASSI ( resid 45 and name HA )
     ( resid 45 and name HN )
     6.0 0.1 0.1 peak 189 volume 0.000e+00 ppm1 4.476 ppm2 8.358
ASSI ( resid 29 and name HA1 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 203 volume 0.000e+00 ppm1 4.336 ppm2 8.213
ASSI ( resid 29 and name HA2 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 204 volume 0.000e+00 ppm1 3.559 ppm2 8.212
ASSI ( resid 77 and name hg# )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 205 volume 0.000e+00 ppm1 1.449 ppm2 8.246
ASSI ( resid 77 and name HB2 )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 206 volume 0.000e+00 ppm1 2.051 ppm2 8.246
ASSI ( resid 77 and name HA )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 207 volume 0.000e+00 ppm1 5.670 ppm2 8.246
ASSI ( resid 48 and name HA )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 208 volume 0.000e+00 ppm1 4.773 ppm2 8.014
ASSI ( resid 118 and name HB2 )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 209 volume 0.000e+00 ppm1 2.767 ppm2 8.011
ASSI ( resid 57 and name HA )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 211 volume 0.000e+00 ppm1 4.029 ppm2 7.331
ASSI ( resid 57 and name hb# )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 212 volume 0.000e+00 ppm1 1.519 ppm2 7.330
ASSI ( resid 84 and name HA )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 215 volume 0.000e+00 ppm1 4.497 ppm2 9.299
ASSI ( resid 84 and name HG )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 217 volume 0.000e+00 ppm1 1.625 ppm2 9.299
ASSI ( resid 84 and name hb# )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 218 volume 0.000e+00 ppm1 1.898 ppm2 9.299
ASSI ( resid 84 and name hd1# )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 219 volume 0.000e+00 ppm1 1.376 ppm2 9.299
ASSI ( resid 84 and name hd2# )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 220 volume 0.000e+00 ppm1 0.906 ppm2 9.299
ASSI ( resid 114 and name HA )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 221 volume 0.000e+00 ppm1 5.282 ppm2 9.303
ASSI ( resid 114 and name hb# )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 222 volume 0.000e+00 ppm1 1.139 ppm2 9.305
ASSI ( resid 32 and name HA )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 223 volume 0.000e+00 ppm1 5.629 ppm2 9.337
ASSI ( resid 32 and name HB2 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 224 volume 0.000e+00 ppm1 2.851 ppm2 9.337
ASSI ( resid 32 and name HB3 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 225 volume 0.000e+00 ppm1 2.727 ppm2 9.336
ASSI ( resid 19 and name HA )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 226 volume 0.000e+00 ppm1 4.650 ppm2 9.143
ASSI ( resid 19 and name hb# )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 227 volume 0.000e+00 ppm1 1.269 ppm2 9.143
ASSI ( resid 75 and name HA )
     ( resid 75 and name HN )
     6.0 0.1 0.1 peak 228 volume 0.000e+00 ppm1 4.558 ppm2 9.146
ASSI ( resid 75 and name HB )
     ( resid 75 and name HN )
     6.0 0.1 0.1 peak 229 volume 0.000e+00 ppm1 1.581 ppm2 9.146
ASSI ( resid 75 and name hg1# )
     ( resid 75 and name HN )
     6.0 0.1 0.1 peak 230 volume 0.000e+00 ppm1 1.389 ppm2 9.146
ASSI ( resid 75 and name hg2# )
     ( resid 75 and name HN )
     6.0 0.1 0.1 peak 231 volume 0.000e+00 ppm1 0.539 ppm2 9.146
ASSI ( resid 58 and name HA )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 232 volume 0.000e+00 ppm1 4.754 ppm2 9.083
ASSI ( resid 58 and name HB2 )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 233 volume 0.000e+00 ppm1 2.778 ppm2 9.081
ASSI ( resid 58 and name HB3 )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 234 volume 0.000e+00 ppm1 2.524 ppm2 9.080
ASSI ( resid 33 and name hg2# )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 235 volume 0.000e+00 ppm1 0.189 ppm2 9.072
ASSI ( resid 33 and name hd1# )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 236 volume 0.000e+00 ppm1 0.517 ppm2 9.073
ASSI ( resid 33 and name HG13 )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 237 volume 0.000e+00 ppm1 0.720 ppm2 9.073
ASSI ( resid 33 and name HB )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 238 volume 0.000e+00 ppm1 1.423 ppm2 9.073
ASSI ( resid 26 and name HA )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 246 volume 0.000e+00 ppm1 4.400 ppm2 8.747
ASSI ( resid 26 and name hb# )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 247 volume 0.000e+00 ppm1 2.472 ppm2 8.746
ASSI ( resid 26 and name HG3 )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 248 volume 0.000e+00 ppm1 2.010 ppm2 8.746
ASSI ( resid 63 and name HB2 )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 249 volume 0.000e+00 ppm1 1.638 ppm2 8.746
ASSI ( resid 97 and name hd1# )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 250 volume 0.000e+00 ppm1 1.014 ppm2 8.739
ASSI ( resid 97 and name hg1# )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 252 volume 0.000e+00 ppm1 0.417 ppm2 8.740
ASSI ( resid 54 and name HA )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 257 volume 0.000e+00 ppm1 4.777 ppm2 8.600
ASSI ( resid 54 and name HB2 )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 258 volume 0.000e+00 ppm1 3.006 ppm2 8.600
ASSI ( resid 54 and name HB3 )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 259 volume 0.000e+00 ppm1 2.891 ppm2 8.600
ASSI ( resid 106 and name HA )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 260 volume 0.000e+00 ppm1 4.511 ppm2 8.458
ASSI ( resid 106 and name HB2 )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 261 volume 0.000e+00 ppm1 2.248 ppm2 8.459
ASSI ( resid 106 and name HG3 )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 262 volume 0.000e+00 ppm1 1.837 ppm2 8.459
ASSI ( resid 105 and name HA )
     ( resid 105 and name HN )
     6.0 0.1 0.1 peak 263 volume 0.000e+00 ppm1 4.192 ppm2 8.562
ASSI ( resid 105 and name HB2 )
     ( resid 105 and name HN )
     6.0 0.1 0.1 peak 264 volume 0.000e+00 ppm1 3.997 ppm2 8.561
ASSI ( resid 105 and name HB3 )
     ( resid 105 and name HN )
     6.0 0.1 0.1 peak 265 volume 0.000e+00 ppm1 3.899 ppm2 8.559
ASSI ( resid 49 and name HA )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 266 volume 0.000e+00 ppm1 3.767 ppm2 8.355
ASSI ( resid 49 and name hg2# )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 267 volume 0.000e+00 ppm1 0.470 ppm2 8.356
ASSI ( resid 49 and name hg1# )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 268 volume 0.000e+00 ppm1 0.753 ppm2 8.357
ASSI ( resid 49 and name HB )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 270 volume 0.000e+00 ppm1 1.580 ppm2 8.356
ASSI ( resid 85 and name HA )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 277 volume 0.000e+00 ppm1 5.438 ppm2 8.192
ASSI ( resid 85 and name hb# )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 279 volume 0.000e+00 ppm1 1.889 ppm2 8.192
ASSI ( resid 85 and name hd# )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 280 volume 0.000e+00 ppm1 1.685 ppm2 8.191
ASSI ( resid 85 and name hg# )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 281 volume 0.000e+00 ppm1 1.458 ppm2 8.192
ASSI ( resid 108 and name HB3 )
     ( resid 108 and name HN )
     6.0 0.1 0.1 peak 284 volume 0.000e+00 ppm1 3.561 ppm2 8.648
ASSI ( resid 108 and name HA )
     ( resid 108 and name HN )
     6.0 0.1 0.1 peak 286 volume 0.000e+00 ppm1 4.906 ppm2 8.649
ASSI ( resid 111 and name HA )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 287 volume 0.000e+00 ppm1 5.138 ppm2 8.649
ASSI ( resid 107 and name HA )
     ( resid 107 and name HN )
     6.0 0.1 0.1 peak 289 volume 0.000e+00 ppm1 4.373 ppm2 8.651
ASSI ( resid 55 and name HA )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 290 volume 0.000e+00 ppm1 4.019 ppm2 8.664
ASSI ( resid 55 and name HB )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 291 volume 0.000e+00 ppm1 2.195 ppm2 8.664
ASSI ( resid 107 and name hg2# )
     ( resid 107 and name HN )
     6.0 0.1 0.1 peak 292 volume 0.000e+00 ppm1 1.108 ppm2 8.650
ASSI ( resid 55 and name hg# )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 293 volume 0.000e+00 ppm1 1.025 ppm2 8.664
ASSI ( resid 86 and name HA )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 295 volume 0.000e+00 ppm1 4.642 ppm2 8.868
ASSI ( resid 86 and name HB2 )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 296 volume 0.000e+00 ppm1 2.642 ppm2 8.868
ASSI ( resid 86 and name HB3 )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 297 volume 0.000e+00 ppm1 2.327 ppm2 8.868
ASSI ( resid 27 and name HA1 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 298 volume 0.000e+00 ppm1 3.635 ppm2 8.537
ASSI ( resid 27 and name HA2 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 299 volume 0.000e+00 ppm1 3.411 ppm2 8.537
ASSI ( resid 17 and name HB3 )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 301 volume 0.000e+00 ppm1 2.857 ppm2 8.461
ASSI ( resid 17 and name HB2 )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 302 volume 0.000e+00 ppm1 2.932 ppm2 8.461
ASSI ( resid 27 and name HA1 )
     ( resid 27 and name HA2 )
     6.0 0.1 0.1 peak 303 volume 0.000e+00 ppm1 3.630 ppm2 3.409
ASSI ( resid 24 and name HA )
     ( resid 24 and name HB )
     6.0 0.1 0.1 peak 304 volume 0.000e+00 ppm1 5.035 ppm2 3.817
ASSI ( resid 24 and name HA )
     ( resid 24 and name hg2# )
     6.0 0.1 0.1 peak 305 volume 0.000e+00 ppm1 5.033 ppm2 1.063
ASSI ( resid 24 and name HB )
     ( resid 24 and name hg2# )
     6.0 0.1 0.1 peak 306 volume 0.000e+00 ppm1 3.818 ppm2 1.062
ASSI ( resid 78 and name HA )
     ( resid 78 and name HB2 )
     6.0 0.1 0.1 peak 307 volume 0.000e+00 ppm1 5.038 ppm2 3.137
ASSI ( resid 78 and name HA )
     ( resid 78 and name HB3 )
     6.0 0.1 0.1 peak 308 volume 0.000e+00 ppm1 5.038 ppm2 2.429
ASSI ( resid 78 and name HB2 )
     ( resid 78 and name HB3 )
     6.0 0.1 0.1 peak 309 volume 0.000e+00 ppm1 3.134 ppm2 2.429
ASSI ( resid 79 and name HA )
     ( resid 79 and name HB2 )
     6.0 0.1 0.1 peak 310 volume 0.000e+00 ppm1 5.022 ppm2 3.130
ASSI ( resid 79 and name HA )
     ( resid 79 and name HB3 )
     6.0 0.1 0.1 peak 311 volume 0.000e+00 ppm1 5.022 ppm2 2.442
ASSI ( resid 79 and name HB2 )
     ( resid 79 and name HB3 )
     6.0 0.1 0.1 peak 312 volume 0.000e+00 ppm1 3.132 ppm2 2.442
ASSI ( resid 33 and name HA )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 313 volume 0.000e+00 ppm1 4.707 ppm2 9.073
ASSI ( resid 33 and name HA )
     ( resid 33 and name HB )
     6.0 0.1 0.1 peak 314 volume 0.000e+00 ppm1 4.707 ppm2 1.414
ASSI ( resid 33 and name HA )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 315 volume 0.000e+00 ppm1 4.707 ppm2 0.506
ASSI ( resid 33 and name HA )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 316 volume 0.000e+00 ppm1 4.707 ppm2 0.181
ASSI ( resid 33 and name HB )
     ( resid 33 and name HG13 )
     6.0 0.1 0.1 peak 317 volume 0.000e+00 ppm1 1.417 ppm2 0.709
ASSI ( resid 33 and name HB )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 318 volume 0.000e+00 ppm1 1.417 ppm2 0.506
ASSI ( resid 33 and name HB )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 319 volume 0.000e+00 ppm1 1.417 ppm2 0.181
ASSI ( resid 33 and name HG13 )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 320 volume 0.000e+00 ppm1 0.708 ppm2 0.506
ASSI ( resid 33 and name HG13 )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 321 volume 0.000e+00 ppm1 0.710 ppm2 0.182
ASSI ( resid 33 and name hd1# )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 322 volume 0.000e+00 ppm1 0.521 ppm2 0.184
ASSI ( resid 99 and name HA )
     ( resid 99 and name HB2 )
     6.0 0.1 0.1 peak 323 volume 0.000e+00 ppm1 5.243 ppm2 1.765
ASSI ( resid 99 and name HA )
     ( resid 99 and name HB3 )
     6.0 0.1 0.1 peak 324 volume 0.000e+00 ppm1 5.243 ppm2 1.428
ASSI ( resid 99 and name HA )
     ( resid 99 and name hd# )
     6.0 0.1 0.1 peak 325 volume 0.000e+00 ppm1 5.243 ppm2 1.257
ASSI ( resid 99 and name HA )
     ( resid 99 and name hg# )
     6.0 0.1 0.1 peak 326 volume 0.000e+00 ppm1 5.243 ppm2 0.952
ASSI ( resid 62 and name HA )
     ( resid 62 and name HB )
     6.0 0.1 0.1 peak 333 volume 0.000e+00 ppm1 4.589 ppm2 1.730
ASSI ( resid 62 and name HA )
     ( resid 62 and name hg1# )
     6.0 0.1 0.1 peak 334 volume 0.000e+00 ppm1 4.589 ppm2 0.857
ASSI ( resid 62 and name HA )
     ( resid 62 and name hg2# )
     6.0 0.1 0.1 peak 335 volume 0.000e+00 ppm1 4.589 ppm2 0.692
ASSI ( resid 62 and name HB )
     ( resid 62 and name hg1# )
     6.0 0.1 0.1 peak 336 volume 0.000e+00 ppm1 1.738 ppm2 0.857
ASSI ( resid 62 and name HB )
     ( resid 62 and name hg2# )
     6.0 0.1 0.1 peak 337 volume 0.000e+00 ppm1 1.740 ppm2 0.693
ASSI ( resid 62 and name hg1# )
     ( resid 62 and name hg2# )
     6.0 0.1 0.1 peak 338 volume 0.000e+00 ppm1 0.870 ppm2 0.713
ASSI ( resid 112 and name HA )
     ( resid 112 and name HB2 )
     6.0 0.1 0.1 peak 339 volume 0.000e+00 ppm1 5.114 ppm2 2.110
ASSI ( resid 112 and name HA )
     ( resid 112 and name HB3 )
     6.0 0.1 0.1 peak 340 volume 0.000e+00 ppm1 5.111 ppm2 1.142
ASSI ( resid 112 and name HB2 )
     ( resid 112 and name HB3 )
     6.0 0.1 0.1 peak 341 volume 0.000e+00 ppm1 2.112 ppm2 1.141
ASSI ( resid 21 and name HA )
     ( resid 21 and name HB2 )
     6.0 0.1 0.1 peak 342 volume 0.000e+00 ppm1 4.752 ppm2 3.260
ASSI ( resid 21 and name HA )
     ( resid 21 and name HB3 )
     6.0 0.1 0.1 peak 344 volume 0.000e+00 ppm1 4.752 ppm2 2.883
ASSI ( resid 21 and name HB2 )
     ( resid 21 and name HB3 )
     6.0 0.1 0.1 peak 345 volume 0.000e+00 ppm1 3.260 ppm2 2.883
ASSI ( resid 64 and name HA )
     ( resid 64 and name HB2 )
     6.0 0.1 0.1 peak 346 volume 0.000e+00 ppm1 5.262 ppm2 1.906
ASSI ( resid 64 and name HA )
     ( resid 64 and name HB3 )
     6.0 0.1 0.1 peak 347 volume 0.000e+00 ppm1 5.261 ppm2 1.534
ASSI ( resid 64 and name HA )
     ( resid 64 and name HG )
     6.0 0.1 0.1 peak 348 volume 0.000e+00 ppm1 5.261 ppm2 1.425
ASSI ( resid 100 and name HA )
     ( resid 100 and name HB )
     6.0 0.1 0.1 peak 352 volume 0.000e+00 ppm1 4.479 ppm2 1.345
ASSI ( resid 100 and name HA )
     ( resid 100 and name hg1# )
     6.0 0.1 0.1 peak 354 volume 0.000e+00 ppm1 4.479 ppm2 0.584
ASSI ( resid 100 and name HA )
     ( resid 100 and name hg2# )
     6.0 0.1 0.1 peak 355 volume 0.000e+00 ppm1 4.479 ppm2 0.454
ASSI ( resid 100 and name HA )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 356 volume 0.000e+00 ppm1 4.479 ppm2 0.122
ASSI ( resid 100 and name HB )
     ( resid 100 and name hg1# )
     6.0 0.1 0.1 peak 357 volume 0.000e+00 ppm1 1.342 ppm2 0.580
ASSI ( resid 100 and name HB )
     ( resid 100 and name hg2# )
     6.0 0.1 0.1 peak 359 volume 0.000e+00 ppm1 1.342 ppm2 0.453
ASSI ( resid 100 and name HB )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 360 volume 0.000e+00 ppm1 1.344 ppm2 0.123
ASSI ( resid 100 and name hg1# )
     ( resid 100 and name hg2# )
     6.0 0.1 0.1 peak 361 volume 0.000e+00 ppm1 0.578 ppm2 0.455
ASSI ( resid 100 and name hg1# )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 362 volume 0.000e+00 ppm1 0.578 ppm2 0.121
ASSI ( resid 100 and name hg2# )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 363 volume 0.000e+00 ppm1 0.454 ppm2 0.121
ASSI ( resid 32 and name HA )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 364 volume 0.000e+00 ppm1 5.639 ppm2 2.856
ASSI ( resid 114 and name HA )
     ( resid 114 and name hb# )
     6.0 0.1 0.1 peak 367 volume 0.000e+00 ppm1 5.283 ppm2 1.138
ASSI ( resid 84 and name HA )
     ( resid 84 and name hb# )
     6.0 0.1 0.1 peak 368 volume 0.000e+00 ppm1 4.497 ppm2 1.899
ASSI ( resid 84 and name HA )
     ( resid 84 and name HG )
     6.0 0.1 0.1 peak 369 volume 0.000e+00 ppm1 4.497 ppm2 1.626
ASSI ( resid 84 and name HA )
     ( resid 84 and name hd1# )
     6.0 0.1 0.1 peak 370 volume 0.000e+00 ppm1 4.497 ppm2 1.377
ASSI ( resid 84 and name HA )
     ( resid 84 and name hd2# )
     6.0 0.1 0.1 peak 371 volume 0.000e+00 ppm1 4.493 ppm2 0.907
ASSI ( resid 84 and name hb# )
     ( resid 84 and name HG )
     6.0 0.1 0.1 peak 372 volume 0.000e+00 ppm1 1.900 ppm2 1.625
ASSI ( resid 84 and name hb# )
     ( resid 84 and name hd1# )
     6.0 0.1 0.1 peak 373 volume 0.000e+00 ppm1 1.900 ppm2 1.376
ASSI ( resid 84 and name hb# )
     ( resid 84 and name hd2# )
     6.0 0.1 0.1 peak 374 volume 0.000e+00 ppm1 1.897 ppm2 0.907
ASSI ( resid 84 and name HG )
     ( resid 84 and name hd2# )
     6.0 0.1 0.1 peak 376 volume 0.000e+00 ppm1 1.628 ppm2 0.907
ASSI ( resid 84 and name hd1# )
     ( resid 84 and name hd2# )
     6.0 0.1 0.1 peak 377 volume 0.000e+00 ppm1 1.379 ppm2 0.907
ASSI ( resid 51 and name HA )
     ( resid 51 and name HB2 )
     6.0 0.1 0.1 peak 378 volume 0.000e+00 ppm1 5.262 ppm2 3.333
ASSI ( resid 51 and name HA )
     ( resid 51 and name HB3 )
     6.0 0.1 0.1 peak 379 volume 0.000e+00 ppm1 5.261 ppm2 3.085
ASSI ( resid 51 and name HB2 )
     ( resid 51 and name HB3 )
     6.0 0.1 0.1 peak 380 volume 0.000e+00 ppm1 3.333 ppm2 3.085
ASSI ( resid 25 and name HA )
     ( resid 25 and name HB )
     6.0 0.1 0.1 peak 381 volume 0.000e+00 ppm1 4.675 ppm2 1.572
ASSI ( resid 25 and name HA )
     ( resid 25 and name hg1# )
     6.0 0.1 0.1 peak 382 volume 0.000e+00 ppm1 4.677 ppm2 1.153
ASSI ( resid 25 and name HA )
     ( resid 25 and name hg2# )
     6.0 0.1 0.1 peak 383 volume 0.000e+00 ppm1 4.679 ppm2 1.063
ASSI ( resid 25 and name HA )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 384 volume 0.000e+00 ppm1 4.677 ppm2 0.577
ASSI ( resid 25 and name HB )
     ( resid 25 and name hg2# )
     6.0 0.1 0.1 peak 386 volume 0.000e+00 ppm1 1.568 ppm2 1.062
ASSI ( resid 25 and name HB )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 387 volume 0.000e+00 ppm1 1.574 ppm2 0.577
ASSI ( resid 25 and name hg1# )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 390 volume 0.000e+00 ppm1 1.174 ppm2 0.578
ASSI ( resid 25 and name hg2# )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 391 volume 0.000e+00 ppm1 1.069 ppm2 0.577
ASSI ( resid 98 and name HA )
     ( resid 98 and name HB2 )
     6.0 0.1 0.1 peak 392 volume 0.000e+00 ppm1 5.217 ppm2 2.971
ASSI ( resid 98 and name HA )
     ( resid 98 and name HB3 )
     6.0 0.1 0.1 peak 393 volume 0.000e+00 ppm1 5.217 ppm2 2.847
ASSI ( resid 59 and name HA )
     ( resid 59 and name HB2 )
     6.0 0.1 0.1 peak 395 volume 0.000e+00 ppm1 5.441 ppm2 2.697
ASSI ( resid 59 and name HA )
     ( resid 59 and name HB3 )
     6.0 0.1 0.1 peak 396 volume 0.000e+00 ppm1 5.441 ppm2 2.524
ASSI ( resid 59 and name HA )
     ( resid 59 and name HG2 )
     6.0 0.1 0.1 peak 397 volume 0.000e+00 ppm1 5.441 ppm2 1.963
ASSI ( resid 59 and name HA )
     ( resid 59 and name HG3 )
     6.0 0.1 0.1 peak 398 volume 0.000e+00 ppm1 5.439 ppm2 1.682
ASSI ( resid 59 and name HB2 )
     ( resid 59 and name HB3 )
     6.0 0.1 0.1 peak 399 volume 0.000e+00 ppm1 2.709 ppm2 2.514
ASSI ( resid 59 and name HB2 )
     ( resid 59 and name HG2 )
     6.0 0.1 0.1 peak 400 volume 0.000e+00 ppm1 2.697 ppm2 1.963
ASSI ( resid 59 and name HB2 )
     ( resid 59 and name HG3 )
     6.0 0.1 0.1 peak 401 volume 0.000e+00 ppm1 2.702 ppm2 1.673
ASSI ( resid 59 and name HB3 )
     ( resid 59 and name HG2 )
     6.0 0.1 0.1 peak 402 volume 0.000e+00 ppm1 2.524 ppm2 1.963
ASSI ( resid 59 and name HB3 )
     ( resid 59 and name HG3 )
     6.0 0.1 0.1 peak 403 volume 0.000e+00 ppm1 2.511 ppm2 1.671
ASSI ( resid 59 and name HG2 )
     ( resid 59 and name HG3 )
     6.0 0.1 0.1 peak 404 volume 0.000e+00 ppm1 1.962 ppm2 1.682
ASSI ( resid 131 and name HA )
     ( resid 131 and name HB )
     6.0 0.1 0.1 peak 405 volume 0.000e+00 ppm1 3.942 ppm2 2.044
ASSI ( resid 131 and name hg1# )
     ( resid 131 and name HA )
     6.0 0.1 0.1 peak 406 volume 0.000e+00 ppm1 3.942 ppm2 0.839
ASSI ( resid 131 and name HB )
     ( resid 131 and name hg1# )
     6.0 0.1 0.1 peak 408 volume 0.000e+00 ppm1 2.048 ppm2 0.841
ASSI ( resid 131 and name HB )
     ( resid 131 and name hg1# )
     6.0 0.1 0.1 peak 409 volume 0.000e+00 ppm1 2.046 ppm2 0.741
ASSI ( resid 125 and name HA )
     ( resid 125 and name HB )
     6.0 0.1 0.1 peak 417 volume 0.000e+00 ppm1 4.085 ppm2 2.247
ASSI ( resid 125 and name HA )
     ( resid 125 and name hg1# )
     6.0 0.1 0.1 peak 418 volume 0.000e+00 ppm1 4.088 ppm2 1.041
ASSI ( resid 125 and name HA )
     ( resid 125 and name hg2# )
     6.0 0.1 0.1 peak 419 volume 0.000e+00 ppm1 4.083 ppm2 0.926
ASSI ( resid 125 and name HB )
     ( resid 125 and name hg1# )
     6.0 0.1 0.1 peak 420 volume 0.000e+00 ppm1 2.245 ppm2 1.040
ASSI ( resid 125 and name HB )
     ( resid 125 and name hg2# )
     6.0 0.1 0.1 peak 421 volume 0.000e+00 ppm1 2.245 ppm2 0.927
ASSI ( resid 125 and name hg1# )
     ( resid 125 and name hg2# )
     6.0 0.1 0.1 peak 422 volume 0.000e+00 ppm1 1.057 ppm2 0.940
ASSI ( resid 76 and name HA )
     ( resid 76 and name HB2 )
     6.0 0.1 0.1 peak 423 volume 0.000e+00 ppm1 4.705 ppm2 1.865
ASSI ( resid 76 and name HA )
     ( resid 76 and name HB3 )
     6.0 0.1 0.1 peak 424 volume 0.000e+00 ppm1 4.705 ppm2 1.790
ASSI ( resid 76 and name HA )
     ( resid 76 and name hd# )
     6.0 0.1 0.1 peak 425 volume 0.000e+00 ppm1 4.705 ppm2 1.637
ASSI ( resid 76 and name HA )
     ( resid 76 and name hg# )
     6.0 0.1 0.1 peak 426 volume 0.000e+00 ppm1 4.705 ppm2 1.526
ASSI ( resid 76 and name HA )
     ( resid 76 and name hz# )
     6.0 0.1 0.1 peak 429 volume 0.000e+00 ppm1 4.705 ppm2 3.112
ASSI ( resid 82 and name HA )
     ( resid 82 and name hb# )
     6.0 0.1 0.1 peak 438 volume 0.000e+00 ppm1 4.977 ppm2 1.907
ASSI ( resid 82 and name HA )
     ( resid 82 and name HD3 )
     6.0 0.1 0.1 peak 439 volume 0.000e+00 ppm1 4.977 ppm2 1.721
ASSI ( resid 82 and name HA )
     ( resid 82 and name HG2 )
     6.0 0.1 0.1 peak 440 volume 0.000e+00 ppm1 4.977 ppm2 1.511
ASSI ( resid 82 and name HA )
     ( resid 82 and name HG3 )
     6.0 0.1 0.1 peak 441 volume 0.000e+00 ppm1 4.977 ppm2 1.376
ASSI ( resid 82 and name hb# )
     ( resid 82 and name HD3 )
     6.0 0.1 0.1 peak 442 volume 0.000e+00 ppm1 1.908 ppm2 1.719
ASSI ( resid 82 and name hb# )
     ( resid 82 and name HG2 )
     6.0 0.1 0.1 peak 443 volume 0.000e+00 ppm1 1.909 ppm2 1.512
ASSI ( resid 82 and name hb# )
     ( resid 82 and name HG3 )
     6.0 0.1 0.1 peak 444 volume 0.000e+00 ppm1 1.909 ppm2 1.374
ASSI ( resid 82 and name HG2 )
     ( resid 82 and name HG3 )
     6.0 0.1 0.1 peak 447 volume 0.000e+00 ppm1 1.511 ppm2 1.375
ASSI ( resid 81 and name HA )
     ( resid 81 and name HB2 )
     6.0 0.1 0.1 peak 448 volume 0.000e+00 ppm1 4.099 ppm2 3.236
ASSI ( resid 81 and name HA )
     ( resid 81 and name HB3 )
     6.0 0.1 0.1 peak 449 volume 0.000e+00 ppm1 4.095 ppm2 3.033
ASSI ( resid 81 and name HB2 )
     ( resid 81 and name HB3 )
     6.0 0.1 0.1 peak 450 volume 0.000e+00 ppm1 3.236 ppm2 3.033
ASSI ( resid 109 and name HA )
     ( resid 109 and name HB2 )
     6.0 0.1 0.1 peak 451 volume 0.000e+00 ppm1 5.289 ppm2 2.840
ASSI ( resid 109 and name HA )
     ( resid 109 and name HB3 )
     6.0 0.1 0.1 peak 452 volume 0.000e+00 ppm1 5.289 ppm2 2.610
ASSI ( resid 109 and name HB2 )
     ( resid 109 and name HB3 )
     6.0 0.1 0.1 peak 453 volume 0.000e+00 ppm1 2.839 ppm2 2.610
ASSI ( resid 102 and name HA )
     ( resid 102 and name HB2 )
     6.0 0.1 0.1 peak 454 volume 0.000e+00 ppm1 4.983 ppm2 3.310
ASSI ( resid 102 and name HA )
     ( resid 102 and name HB3 )
     6.0 0.1 0.1 peak 455 volume 0.000e+00 ppm1 4.983 ppm2 2.424
ASSI ( resid 102 and name HB2 )
     ( resid 102 and name HB3 )
     6.0 0.1 0.1 peak 456 volume 0.000e+00 ppm1 3.311 ppm2 2.425
ASSI ( resid 60 and name HA )
     ( resid 60 and name HB )
     6.0 0.1 0.1 peak 457 volume 0.000e+00 ppm1 4.670 ppm2 3.614
ASSI ( resid 60 and name HA )
     ( resid 60 and name hg2# )
     6.0 0.1 0.1 peak 458 volume 0.000e+00 ppm1 4.670 ppm2 1.249
ASSI ( resid 60 and name HB )
     ( resid 60 and name hg2# )
     6.0 0.1 0.1 peak 459 volume 0.000e+00 ppm1 3.616 ppm2 1.249
ASSI ( resid 101 and name HB3 )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 460 volume 0.000e+00 ppm1 1.690 ppm2 8.896
ASSI ( resid 101 and name hd# )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 461 volume 0.000e+00 ppm1 1.542 ppm2 8.896
ASSI ( resid 101 and name HB2 )
     ( resid 101 and name HB3 )
     6.0 0.1 0.1 peak 462 volume 0.000e+00 ppm1 1.872 ppm2 1.690
ASSI ( resid 101 and name HB2 )
     ( resid 101 and name hd# )
     6.0 0.1 0.1 peak 463 volume 0.000e+00 ppm1 1.856 ppm2 1.541
ASSI ( resid 101 and name HB2 )
     ( resid 101 and name hg# )
     6.0 0.1 0.1 peak 464 volume 0.000e+00 ppm1 1.859 ppm2 1.301
ASSI ( resid 101 and name HB3 )
     ( resid 101 and name hd# )
     6.0 0.1 0.1 peak 465 volume 0.000e+00 ppm1 1.693 ppm2 1.541
ASSI ( resid 101 and name HB3 )
     ( resid 101 and name hg# )
     6.0 0.1 0.1 peak 466 volume 0.000e+00 ppm1 1.690 ppm2 1.301
ASSI ( resid 101 and name hd# )
     ( resid 101 and name hg# )
     6.0 0.1 0.1 peak 467 volume 0.000e+00 ppm1 1.542 ppm2 1.301
ASSI ( resid 31 and name HA )
     ( resid 31 and name HB )
     6.0 0.1 0.1 peak 468 volume 0.000e+00 ppm1 4.299 ppm2 1.565
ASSI ( resid 31 and name HA )
     ( resid 31 and name hg1# )
     6.0 0.1 0.1 peak 469 volume 0.000e+00 ppm1 4.299 ppm2 0.902
ASSI ( resid 31 and name HA )
     ( resid 31 and name hg2# )
     6.0 0.1 0.1 peak 470 volume 0.000e+00 ppm1 4.299 ppm2 0.702
ASSI ( resid 31 and name HB )
     ( resid 31 and name hg1# )
     6.0 0.1 0.1 peak 471 volume 0.000e+00 ppm1 1.565 ppm2 0.902
ASSI ( resid 31 and name HB )
     ( resid 31 and name hg2# )
     6.0 0.1 0.1 peak 472 volume 0.000e+00 ppm1 1.565 ppm2 0.702
ASSI ( resid 31 and name hg1# )
     ( resid 31 and name hg2# )
     6.0 0.1 0.1 peak 473 volume 0.000e+00 ppm1 0.905 ppm2 0.702
ASSI ( resid 73 and name HA1 )
     ( resid 73 and name HA2 )
     6.0 0.1 0.1 peak 474 volume 0.000e+00 ppm1 4.498 ppm2 3.805
ASSI ( resid 22 and name HA )
     ( resid 22 and name HB )
     6.0 0.1 0.1 peak 476 volume 0.000e+00 ppm1 4.955 ppm2 3.986
ASSI ( resid 22 and name HA )
     ( resid 22 and name hg2# )
     6.0 0.1 0.1 peak 477 volume 0.000e+00 ppm1 4.958 ppm2 1.079
ASSI ( resid 22 and name HB )
     ( resid 22 and name hg2# )
     6.0 0.1 0.1 peak 478 volume 0.000e+00 ppm1 3.985 ppm2 1.077
ASSI ( resid 113 and name HA )
     ( resid 113 and name HB2 )
     6.0 0.1 0.1 peak 479 volume 0.000e+00 ppm1 5.619 ppm2 2.686
ASSI ( resid 113 and name HA )
     ( resid 113 and name HB3 )
     6.0 0.1 0.1 peak 480 volume 0.000e+00 ppm1 5.619 ppm2 2.392
ASSI ( resid 113 and name HB2 )
     ( resid 113 and name HB3 )
     6.0 0.1 0.1 peak 481 volume 0.000e+00 ppm1 2.688 ppm2 2.392
ASSI ( resid 56 and name HA )
     ( resid 56 and name HB2 )
     6.0 0.1 0.1 peak 482 volume 0.000e+00 ppm1 4.879 ppm2 3.003
ASSI ( resid 56 and name HA )
     ( resid 56 and name HB3 )
     6.0 0.1 0.1 peak 483 volume 0.000e+00 ppm1 4.878 ppm2 2.738
ASSI ( resid 56 and name HB2 )
     ( resid 56 and name HB3 )
     6.0 0.1 0.1 peak 484 volume 0.000e+00 ppm1 3.003 ppm2 2.738
ASSI ( resid 20 and name HA )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 485 volume 0.000e+00 ppm1 5.606 ppm2 3.559
ASSI ( resid 20 and name HA )
     ( resid 20 and name hg2# )
     6.0 0.1 0.1 peak 486 volume 0.000e+00 ppm1 5.606 ppm2 1.085
ASSI ( resid 20 and name HB )
     ( resid 20 and name hg2# )
     6.0 0.1 0.1 peak 487 volume 0.000e+00 ppm1 3.560 ppm2 1.083
ASSI ( resid 18 and name hg1# )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 489 volume 0.000e+00 ppm1 1.109 ppm2 7.903
ASSI ( resid 18 and name HA )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 490 volume 0.000e+00 ppm1 4.621 ppm2 1.730
ASSI ( resid 18 and name HA )
     ( resid 18 and name hg1# )
     6.0 0.1 0.1 peak 492 volume 0.000e+00 ppm1 4.624 ppm2 1.106
ASSI ( resid 18 and name HA )
     ( resid 18 and name hg2# )
     6.0 0.1 0.1 peak 493 volume 0.000e+00 ppm1 4.624 ppm2 0.753
ASSI ( resid 18 and name HB )
     ( resid 18 and name hg1# )
     6.0 0.1 0.1 peak 495 volume 0.000e+00 ppm1 1.733 ppm2 1.106
ASSI ( resid 18 and name HB )
     ( resid 18 and name hg2# )
     6.0 0.1 0.1 peak 496 volume 0.000e+00 ppm1 1.730 ppm2 0.753
ASSI ( resid 18 and name hg1# )
     ( resid 18 and name hg2# )
     6.0 0.1 0.1 peak 501 volume 0.000e+00 ppm1 1.107 ppm2 0.752
ASSI ( resid 28 and name HA )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 502 volume 0.000e+00 ppm1 4.346 ppm2 2.070
ASSI ( resid 28 and name HA )
     ( resid 28 and name HD3 )
     6.0 0.1 0.1 peak 503 volume 0.000e+00 ppm1 4.347 ppm2 1.382
ASSI ( resid 28 and name HA )
     ( resid 28 and name hg# )
     6.0 0.1 0.1 peak 504 volume 0.000e+00 ppm1 4.346 ppm2 1.140
ASSI ( resid 28 and name HB2 )
     ( resid 28 and name HD3 )
     6.0 0.1 0.1 peak 505 volume 0.000e+00 ppm1 2.071 ppm2 1.378
ASSI ( resid 28 and name HB2 )
     ( resid 28 and name hg# )
     6.0 0.1 0.1 peak 506 volume 0.000e+00 ppm1 2.068 ppm2 1.128
ASSI ( resid 28 and name HD3 )
     ( resid 28 and name hg# )
     6.0 0.1 0.1 peak 507 volume 0.000e+00 ppm1 1.379 ppm2 1.128
ASSI ( resid 30 and name HB3 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 509 volume 0.000e+00 ppm1 1.737 ppm2 8.100
ASSI ( resid 30 and name HA )
     ( resid 30 and name HG3 )
     6.0 0.1 0.1 peak 510 volume 0.000e+00 ppm1 5.689 ppm2 2.119
ASSI ( resid 30 and name HA )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 511 volume 0.000e+00 ppm1 5.689 ppm2 1.990
ASSI ( resid 30 and name HA )
     ( resid 30 and name HB3 )
     6.0 0.1 0.1 peak 512 volume 0.000e+00 ppm1 5.686 ppm2 1.735
ASSI ( resid 119 and name HA )
     ( resid 119 and name HB2 )
     6.0 0.1 0.1 peak 517 volume 0.000e+00 ppm1 4.535 ppm2 2.679
ASSI ( resid 119 and name HA )
     ( resid 119 and name HB3 )
     6.0 0.1 0.1 peak 518 volume 0.000e+00 ppm1 4.535 ppm2 2.586
ASSI ( resid 106 and name HA )
     ( resid 106 and name HB2 )
     6.0 0.1 0.1 peak 521 volume 0.000e+00 ppm1 4.512 ppm2 2.246
ASSI ( resid 106 and name HA )
     ( resid 106 and name HG3 )
     6.0 0.1 0.1 peak 522 volume 0.000e+00 ppm1 4.512 ppm2 1.837
ASSI ( resid 106 and name HB2 )
     ( resid 106 and name HG3 )
     6.0 0.1 0.1 peak 525 volume 0.000e+00 ppm1 2.246 ppm2 1.837
ASSI ( resid 111 and name HA )
     ( resid 111 and name HB2 )
     6.0 0.1 0.1 peak 526 volume 0.000e+00 ppm1 5.132 ppm2 3.658
ASSI ( resid 111 and name HA )
     ( resid 111 and name HB3 )
     6.0 0.1 0.1 peak 527 volume 0.000e+00 ppm1 5.135 ppm2 3.549
ASSI ( resid 108 and name HB2 )
     ( resid 108 and name HB3 )
     6.0 0.1 0.1 peak 528 volume 0.000e+00 ppm1 3.708 ppm2 3.561
ASSI ( resid 86 and name HB2 )
     ( resid 86 and name HB3 )
     6.0 0.1 0.1 peak 529 volume 0.000e+00 ppm1 2.642 ppm2 2.326
ASSI ( resid 86 and name HA )
     ( resid 86 and name HB2 )
     6.0 0.1 0.1 peak 530 volume 0.000e+00 ppm1 4.640 ppm2 2.643
ASSI ( resid 86 and name HA )
     ( resid 86 and name HB3 )
     6.0 0.1 0.1 peak 531 volume 0.000e+00 ppm1 4.644 ppm2 2.326
ASSI ( resid 49 and name HA )
     ( resid 49 and name HB )
     6.0 0.1 0.1 peak 532 volume 0.000e+00 ppm1 3.767 ppm2 1.580
ASSI ( resid 49 and name HA )
     ( resid 49 and name hg1# )
     6.0 0.1 0.1 peak 533 volume 0.000e+00 ppm1 3.767 ppm2 0.751
ASSI ( resid 49 and name HA )
     ( resid 49 and name hg2# )
     6.0 0.1 0.1 peak 534 volume 0.000e+00 ppm1 3.767 ppm2 0.470
ASSI ( resid 49 and name HB )
     ( resid 49 and name hg1# )
     6.0 0.1 0.1 peak 535 volume 0.000e+00 ppm1 1.580 ppm2 0.753
ASSI ( resid 49 and name HB )
     ( resid 49 and name hg2# )
     6.0 0.1 0.1 peak 536 volume 0.000e+00 ppm1 1.580 ppm2 0.468
ASSI ( resid 49 and name hg1# )
     ( resid 49 and name hg2# )
     6.0 0.1 0.1 peak 537 volume 0.000e+00 ppm1 0.754 ppm2 0.468
ASSI ( resid 105 and name HA )
     ( resid 105 and name HB2 )
     6.0 0.1 0.1 peak 538 volume 0.000e+00 ppm1 4.202 ppm2 4.013
ASSI ( resid 105 and name HA )
     ( resid 105 and name HB3 )
     6.0 0.1 0.1 peak 539 volume 0.000e+00 ppm1 4.202 ppm2 3.912
ASSI ( resid 105 and name HB2 )
     ( resid 105 and name HB3 )
     6.0 0.1 0.1 peak 540 volume 0.000e+00 ppm1 4.012 ppm2 3.912
ASSI ( resid 58 and name HA )
     ( resid 58 and name HB2 )
     6.0 0.1 0.1 peak 541 volume 0.000e+00 ppm1 4.754 ppm2 2.780
ASSI ( resid 58 and name HA )
     ( resid 58 and name HB3 )
     6.0 0.1 0.1 peak 542 volume 0.000e+00 ppm1 4.756 ppm2 2.519
ASSI ( resid 58 and name HB2 )
     ( resid 58 and name HB3 )
     6.0 0.1 0.1 peak 543 volume 0.000e+00 ppm1 2.777 ppm2 2.519
ASSI ( resid 19 and name HA )
     ( resid 19 and name hb# )
     6.0 0.1 0.1 peak 544 volume 0.000e+00 ppm1 4.653 ppm2 1.269
ASSI ( resid 57 and name HA )
     ( resid 57 and name hb# )
     6.0 0.1 0.1 peak 545 volume 0.000e+00 ppm1 4.029 ppm2 1.519
ASSI ( resid 15 and name HA )
     ( resid 15 and name hg2# )
     6.0 0.1 0.1 peak 546 volume 0.000e+00 ppm1 4.481 ppm2 0.947
ASSI ( resid 75 and name HA )
     ( resid 75 and name HB )
     6.0 0.1 0.1 peak 547 volume 0.000e+00 ppm1 4.560 ppm2 1.576
ASSI ( resid 75 and name HA )
     ( resid 75 and name hg1# )
     6.0 0.1 0.1 peak 548 volume 0.000e+00 ppm1 4.560 ppm2 1.389
ASSI ( resid 75 and name HA )
     ( resid 75 and name hg2# )
     6.0 0.1 0.1 peak 549 volume 0.000e+00 ppm1 4.560 ppm2 0.532
ASSI ( resid 75 and name HB )
     ( resid 75 and name hg2# )
     6.0 0.1 0.1 peak 551 volume 0.000e+00 ppm1 1.575 ppm2 0.533
ASSI ( resid 75 and name hg1# )
     ( resid 75 and name hg2# )
     6.0 0.1 0.1 peak 552 volume 0.000e+00 ppm1 1.389 ppm2 0.533
ASSI ( resid 48 and name hb# )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 559 volume 0.000e+00 ppm1 -0.032 ppm2 8.014
ASSI ( resid 110 and name HA )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 561 volume 0.000e+00 ppm1 5.466 ppm2 8.638
ASSI ( resid 110 and name HB2 )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 562 volume 0.000e+00 ppm1 3.015 ppm2 8.639
ASSI ( resid 110 and name HB3 )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 563 volume 0.000e+00 ppm1 2.560 ppm2 8.639
ASSI ( resid 110 and name HA )
     ( resid 110 and name HB2 )
     6.0 0.1 0.1 peak 564 volume 0.000e+00 ppm1 5.463 ppm2 3.015
ASSI ( resid 110 and name HA )
     ( resid 110 and name HB3 )
     6.0 0.1 0.1 peak 565 volume 0.000e+00 ppm1 5.465 ppm2 2.559
ASSI ( resid 110 and name HB2 )
     ( resid 110 and name HB3 )
     6.0 0.1 0.1 peak 566 volume 0.000e+00 ppm1 3.018 ppm2 2.560
ASSI ( resid 108 and name HB2 )
     ( resid 108 and name HN )
     6.0 0.1 0.1 peak 567 volume 0.000e+00 ppm1 3.705 ppm2 8.648
ASSI ( resid 111 and name HB2 )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 568 volume 0.000e+00 ppm1 3.656 ppm2 8.653
ASSI ( resid 111 and name HB3 )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 569 volume 0.000e+00 ppm1 3.548 ppm2 8.652
ASSI ( resid 85 and name he# )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 573 volume 0.000e+00 ppm1 2.925 ppm2 8.189
ASSI ( resid 85 and name HA )
     ( resid 85 and name hb# )
     6.0 0.1 0.1 peak 574 volume 0.000e+00 ppm1 5.440 ppm2 1.867
ASSI ( resid 85 and name HA )
     ( resid 85 and name hd# )
     6.0 0.1 0.1 peak 575 volume 0.000e+00 ppm1 5.439 ppm2 1.697
ASSI ( resid 85 and name HA )
     ( resid 85 and name hg# )
     6.0 0.1 0.1 peak 576 volume 0.000e+00 ppm1 5.440 ppm2 1.458
ASSI ( resid 85 and name he# )
     ( resid 85 and name hb# )
     6.0 0.1 0.1 peak 577 volume 0.000e+00 ppm1 2.923 ppm2 1.866
ASSI ( resid 85 and name he# )
     ( resid 85 and name hd# )
     6.0 0.1 0.1 peak 578 volume 0.000e+00 ppm1 2.923 ppm2 1.698
ASSI ( resid 85 and name he# )
     ( resid 85 and name hg# )
     6.0 0.1 0.1 peak 579 volume 0.000e+00 ppm1 2.923 ppm2 1.459
ASSI ( resid 85 and name hd# )
     ( resid 85 and name hg# )
     6.0 0.1 0.1 peak 580 volume 0.000e+00 ppm1 1.719 ppm2 1.459
ASSI ( resid 85 and name HA )
     ( resid 85 and name he# )
     6.0 0.1 0.1 peak 581 volume 0.000e+00 ppm1 5.438 ppm2 2.924
ASSI ( resid 117 and name HA )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 582 volume 0.000e+00 ppm1 4.776 ppm2 9.134
ASSI ( resid 108 and name HA )
     ( resid 108 and name HB2 )
     6.0 0.1 0.1 peak 583 volume 0.000e+00 ppm1 4.906 ppm2 3.704
ASSI ( resid 108 and name HA )
     ( resid 108 and name HB3 )
     6.0 0.1 0.1 peak 584 volume 0.000e+00 ppm1 4.906 ppm2 3.559
ASSI ( resid 101 and name HA )
     ( resid 101 and name HB2 )
     6.0 0.1 0.1 peak 586 volume 0.000e+00 ppm1 4.883 ppm2 1.852
ASSI ( resid 101 and name HA )
     ( resid 101 and name HB3 )
     6.0 0.1 0.1 peak 587 volume 0.000e+00 ppm1 4.884 ppm2 1.690
ASSI ( resid 101 and name HA )
     ( resid 101 and name hd# )
     6.0 0.1 0.1 peak 588 volume 0.000e+00 ppm1 4.884 ppm2 1.541
ASSI ( resid 101 and name HA )
     ( resid 101 and name hg# )
     6.0 0.1 0.1 peak 589 volume 0.000e+00 ppm1 4.884 ppm2 1.301
ASSI ( resid 54 and name HA )
     ( resid 54 and name HB2 )
     6.0 0.1 0.1 peak 590 volume 0.000e+00 ppm1 4.777 ppm2 3.006
ASSI ( resid 54 and name HA )
     ( resid 54 and name HB3 )
     6.0 0.1 0.1 peak 591 volume 0.000e+00 ppm1 4.777 ppm2 2.892
ASSI ( resid 71 and name HA1 )
     ( resid 71 and name HN )
     6.0 0.1 0.1 peak 593 volume 0.000e+00 ppm1 4.219 ppm2 7.726
ASSI ( resid 71 and name HA2 )
     ( resid 71 and name HN )
     6.0 0.1 0.1 peak 594 volume 0.000e+00 ppm1 3.607 ppm2 7.726
ASSI ( resid 71 and name HA1 )
     ( resid 71 and name HA2 )
     6.0 0.1 0.1 peak 595 volume 0.000e+00 ppm1 4.219 ppm2 3.608
ASSI ( resid 72 and name HA )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 596 volume 0.000e+00 ppm1 4.546 ppm2 8.166
ASSI ( resid 72 and name HB2 )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 597 volume 0.000e+00 ppm1 2.901 ppm2 8.166
ASSI ( resid 72 and name HB3 )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 598 volume 0.000e+00 ppm1 2.831 ppm2 8.166
ASSI ( resid 26 and name HA )
     ( resid 26 and name hb# )
     6.0 0.1 0.1 peak 599 volume 0.000e+00 ppm1 4.400 ppm2 2.474
ASSI ( resid 26 and name HA )
     ( resid 26 and name HG3 )
     6.0 0.1 0.1 peak 600 volume 0.000e+00 ppm1 4.400 ppm2 2.000
ASSI ( resid 26 and name hb# )
     ( resid 26 and name HG3 )
     6.0 0.1 0.1 peak 601 volume 0.000e+00 ppm1 2.474 ppm2 2.000
ASSI ( resid 108 and name HA )
     ( resid 108 and name HG )
     6.0 0.1 0.1 peak 602 volume 0.000e+00 ppm1 4.908 ppm2 4.247
ASSI ( resid 108 and name HG )
     ( resid 108 and name HB3 )
     6.0 0.1 0.1 peak 603 volume 0.000e+00 ppm1 4.249 ppm2 3.561
ASSI ( resid 108 and name HG )
     ( resid 108 and name HB2 )
     6.0 0.1 0.1 peak 604 volume 0.000e+00 ppm1 4.249 ppm2 3.706
ASSI ( resid 108 and name HG )
     ( resid 108 and name HN )
     6.0 0.1 0.1 peak 605 volume 0.000e+00 ppm1 4.248 ppm2 8.648
ASSI ( resid 23 and name HA1 )
     ( resid 23 and name HA2 )
     6.0 0.1 0.1 peak 607 volume 0.000e+00 ppm1 3.974 ppm2 3.800
ASSI ( resid 23 and name HA2 )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 608 volume 0.000e+00 ppm1 3.795 ppm2 7.050
ASSI ( resid 23 and name HA1 )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 609 volume 0.000e+00 ppm1 3.975 ppm2 7.050
ASSI ( resid 117 and name HA )
     ( resid 117 and name HB2 )
     6.0 0.1 0.1 peak 610 volume 0.000e+00 ppm1 4.780 ppm2 3.301
ASSI ( resid 117 and name HA )
     ( resid 117 and name HB3 )
     6.0 0.1 0.1 peak 611 volume 0.000e+00 ppm1 4.776 ppm2 3.029
ASSI ( resid 117 and name HB2 )
     ( resid 117 and name HB3 )
     6.0 0.1 0.1 peak 612 volume 0.000e+00 ppm1 3.301 ppm2 3.030
ASSI ( resid 52 and name HB2 )
     ( resid 52 and name HB3 )
     6.0 0.1 0.1 peak 613 volume 0.000e+00 ppm1 3.969 ppm2 3.414
ASSI ( resid 52 and name HA )
     ( resid 52 and name HB3 )
     6.0 0.1 0.1 peak 615 volume 0.000e+00 ppm1 4.771 ppm2 3.414
ASSI ( resid 52 and name HA )
     ( resid 52 and name HB2 )
     6.0 0.1 0.1 peak 616 volume 0.000e+00 ppm1 4.774 ppm2 3.975
ASSI ( resid 72 and name HA )
     ( resid 72 and name HB2 )
     6.0 0.1 0.1 peak 617 volume 0.000e+00 ppm1 4.548 ppm2 2.901
ASSI ( resid 72 and name HA )
     ( resid 72 and name HB3 )
     6.0 0.1 0.1 peak 618 volume 0.000e+00 ppm1 4.547 ppm2 2.829
ASSI ( resid 104 and name HA )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 619 volume 0.000e+00 ppm1 4.725 ppm2 7.916
ASSI ( resid 104 and name hb# )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 620 volume 0.000e+00 ppm1 4.167 ppm2 7.916
ASSI ( resid 104 and name HA )
     ( resid 104 and name hb# )
     6.0 0.1 0.1 peak 622 volume 0.000e+00 ppm1 4.724 ppm2 4.166
ASSI ( resid 46 and name HA )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 623 volume 0.000e+00 ppm1 4.551 ppm2 9.162
ASSI ( resid 46 and name HB2 )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 624 volume 0.000e+00 ppm1 1.510 ppm2 9.162
ASSI ( resid 46 and name HB3 )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 626 volume 0.000e+00 ppm1 1.381 ppm2 9.162
ASSI ( resid 46 and name HB2 )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 627 volume 0.000e+00 ppm1 1.510 ppm2 -0.115
ASSI ( resid 46 and name HB2 )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 628 volume 0.000e+00 ppm1 1.510 ppm2 -0.311
ASSI ( resid 46 and name HB3 )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 629 volume 0.000e+00 ppm1 1.381 ppm2 -0.113
ASSI ( resid 46 and name HB3 )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 630 volume 0.000e+00 ppm1 1.381 ppm2 -0.311
ASSI ( resid 46 and name HG )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 631 volume 0.000e+00 ppm1 0.847 ppm2 -0.115
ASSI ( resid 46 and name HG )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 632 volume 0.000e+00 ppm1 0.847 ppm2 -0.311
ASSI ( resid 46 and name hd1# )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 633 volume 0.000e+00 ppm1 -0.111 ppm2 -0.313
ASSI ( resid 46 and name HA )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 634 volume 0.000e+00 ppm1 4.551 ppm2 -0.313
ASSI ( resid 46 and name HA )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 635 volume 0.000e+00 ppm1 4.551 ppm2 -0.115
ASSI ( resid 46 and name HG )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 636 volume 0.000e+00 ppm1 4.551 ppm2 0.847
ASSI ( resid 46 and name HA )
     ( resid 46 and name HB2 )
     6.0 0.1 0.1 peak 637 volume 0.000e+00 ppm1 4.551 ppm2 1.509
ASSI ( resid 46 and name HB3 )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 638 volume 0.000e+00 ppm1 4.551 ppm2 1.383
ASSI ( resid 63 and name HA )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 639 volume 0.000e+00 ppm1 4.959 ppm2 8.746
ASSI ( resid 63 and name HB3 )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 640 volume 0.000e+00 ppm1 1.319 ppm2 8.746
ASSI ( resid 63 and name HG )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 641 volume 0.000e+00 ppm1 1.050 ppm2 8.744
ASSI ( resid 63 and name HB2 )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 642 volume 0.000e+00 ppm1 1.651 ppm2 0.267
ASSI ( resid 63 and name HB2 )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 643 volume 0.000e+00 ppm1 1.651 ppm2 -0.191
ASSI ( resid 63 and name HB3 )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 644 volume 0.000e+00 ppm1 1.330 ppm2 0.267
ASSI ( resid 63 and name HB3 )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 645 volume 0.000e+00 ppm1 1.330 ppm2 -0.192
ASSI ( resid 63 and name HG )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 646 volume 0.000e+00 ppm1 1.046 ppm2 -0.192
ASSI ( resid 63 and name HG )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 647 volume 0.000e+00 ppm1 1.044 ppm2 0.267
ASSI ( resid 63 and name hd1# )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 648 volume 0.000e+00 ppm1 0.271 ppm2 -0.192
ASSI ( resid 63 and name HA )
     ( resid 63 and name HB2 )
     6.0 0.1 0.1 peak 649 volume 0.000e+00 ppm1 4.969 ppm2 1.654
ASSI ( resid 63 and name HA )
     ( resid 63 and name HB3 )
     6.0 0.1 0.1 peak 650 volume 0.000e+00 ppm1 4.969 ppm2 1.333
ASSI ( resid 63 and name HA )
     ( resid 63 and name HG )
     6.0 0.1 0.1 peak 651 volume 0.000e+00 ppm1 4.969 ppm2 1.049
ASSI ( resid 63 and name HA )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 652 volume 0.000e+00 ppm1 4.970 ppm2 0.266
ASSI ( resid 63 and name HA )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 653 volume 0.000e+00 ppm1 4.969 ppm2 -0.191
ASSI ( resid 107 and name HB )
     ( resid 107 and name HN )
     6.0 0.1 0.1 peak 654 volume 0.000e+00 ppm1 3.987 ppm2 8.651
ASSI ( resid 107 and name HA )
     ( resid 107 and name HB )
     6.0 0.1 0.1 peak 655 volume 0.000e+00 ppm1 4.374 ppm2 3.988
ASSI ( resid 55 and name HA )
     ( resid 55 and name HB )
     6.0 0.1 0.1 peak 656 volume 0.000e+00 ppm1 4.015 ppm2 2.193
ASSI ( resid 55 and name HA )
     ( resid 55 and name hg# )
     6.0 0.1 0.1 peak 657 volume 0.000e+00 ppm1 4.015 ppm2 1.024
ASSI ( resid 55 and name HB )
     ( resid 55 and name hg# )
     6.0 0.1 0.1 peak 658 volume 0.000e+00 ppm1 2.194 ppm2 1.024
ASSI ( resid 89 and name HA )
     ( resid 89 and name HN )
     6.0 0.1 0.1 peak 659 volume 0.000e+00 ppm1 4.368 ppm2 8.523
ASSI ( resid 89 and name HB2 )
     ( resid 89 and name HN )
     6.0 0.1 0.1 peak 660 volume 0.000e+00 ppm1 2.907 ppm2 8.523
ASSI ( resid 89 and name HB3 )
     ( resid 89 and name HN )
     6.0 0.1 0.1 peak 661 volume 0.000e+00 ppm1 2.523 ppm2 8.523
ASSI ( resid 89 and name HA )
     ( resid 89 and name HB3 )
     6.0 0.1 0.1 peak 662 volume 0.000e+00 ppm1 4.368 ppm2 2.524
ASSI ( resid 89 and name HA )
     ( resid 89 and name HB2 )
     6.0 0.1 0.1 peak 663 volume 0.000e+00 ppm1 4.368 ppm2 2.905
ASSI ( resid 89 and name HB2 )
     ( resid 89 and name HB3 )
     6.0 0.1 0.1 peak 664 volume 0.000e+00 ppm1 2.907 ppm2 2.524
ASSI ( resid 17 and name HA )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 668 volume 0.000e+00 ppm1 4.726 ppm2 8.463
ASSI ( resid 17 and name HA )
     ( resid 17 and name HB3 )
     6.0 0.1 0.1 peak 669 volume 0.000e+00 ppm1 4.726 ppm2 2.853
ASSI ( resid 17 and name HA )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 670 volume 0.000e+00 ppm1 4.726 ppm2 2.932
ASSI ( resid 106 and name HA )
     ( resid 106 and name HB3 )
     6.0 0.1 0.1 peak 673 volume 0.000e+00 ppm1 4.512 ppm2 2.223
ASSI ( resid 106 and name HA )
     ( resid 106 and name HG2 )
     6.0 0.1 0.1 peak 674 volume 0.000e+00 ppm1 4.512 ppm2 2.022
ASSI ( resid 106 and name HB3 )
     ( resid 106 and name HG3 )
     6.0 0.1 0.1 peak 675 volume 0.000e+00 ppm1 2.213 ppm2 1.837
ASSI ( resid 106 and name HB2 )
     ( resid 106 and name HG2 )
     6.0 0.1 0.1 peak 676 volume 0.000e+00 ppm1 2.246 ppm2 2.022
ASSI ( resid 106 and name HB3 )
     ( resid 106 and name HG2 )
     6.0 0.1 0.1 peak 677 volume 0.000e+00 ppm1 2.213 ppm2 2.022
ASSI ( resid 106 and name HG2 )
     ( resid 106 and name HG3 )
     6.0 0.1 0.1 peak 679 volume 0.000e+00 ppm1 2.023 ppm2 1.837
ASSI ( resid 106 and name HB3 )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 680 volume 0.000e+00 ppm1 2.219 ppm2 8.459
ASSI ( resid 106 and name HG2 )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 681 volume 0.000e+00 ppm1 2.019 ppm2 8.459
ASSI ( resid 80 and name HA )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 684 volume 0.000e+00 ppm1 3.589 ppm2 7.817
ASSI ( resid 116 and name hg1# )
     ( resid 116 and name hg2# )
     6.0 0.1 0.1 peak 686 volume 0.000e+00 ppm1 1.188 ppm2 0.866
ASSI ( resid 70 and name HA )
     ( resid 70 and name HN )
     6.0 0.1 0.1 peak 689 volume 0.000e+00 ppm1 4.590 ppm2 7.928
ASSI ( resid 70 and name hb# )
     ( resid 70 and name HN )
     6.0 0.1 0.1 peak 690 volume 0.000e+00 ppm1 2.811 ppm2 7.929
ASSI ( resid 70 and name HA )
     ( resid 70 and name hb# )
     6.0 0.1 0.1 peak 691 volume 0.000e+00 ppm1 4.588 ppm2 2.809
ASSI ( resid 61 and name HG )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 693 volume 0.000e+00 ppm1 1.102 ppm2 9.063
ASSI ( resid 61 and name hd1# )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 694 volume 0.000e+00 ppm1 0.904 ppm2 9.063
ASSI ( resid 61 and name hd2# )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 695 volume 0.000e+00 ppm1 0.591 ppm2 9.063
ASSI ( resid 61 and name HA )
     ( resid 61 and name hb# )
     6.0 0.1 0.1 peak 696 volume 0.000e+00 ppm1 5.030 ppm2 1.861
ASSI ( resid 61 and name HA )
     ( resid 61 and name HG )
     6.0 0.1 0.1 peak 697 volume 0.000e+00 ppm1 5.028 ppm2 1.101
ASSI ( resid 61 and name HA )
     ( resid 61 and name hd1# )
     6.0 0.1 0.1 peak 698 volume 0.000e+00 ppm1 5.028 ppm2 0.904
ASSI ( resid 61 and name HA )
     ( resid 61 and name hd2# )
     6.0 0.1 0.1 peak 699 volume 0.000e+00 ppm1 5.028 ppm2 0.590
ASSI ( resid 61 and name hb# )
     ( resid 61 and name HG )
     6.0 0.1 0.1 peak 700 volume 0.000e+00 ppm1 1.861 ppm2 1.101
ASSI ( resid 61 and name hb# )
     ( resid 61 and name hd1# )
     6.0 0.1 0.1 peak 701 volume 0.000e+00 ppm1 1.861 ppm2 0.904
ASSI ( resid 61 and name hb# )
     ( resid 61 and name hd2# )
     6.0 0.1 0.1 peak 702 volume 0.000e+00 ppm1 1.861 ppm2 0.591
ASSI ( resid 61 and name hd1# )
     ( resid 61 and name hd2# )
     6.0 0.1 0.1 peak 703 volume 0.000e+00 ppm1 0.903 ppm2 0.591
ASSI ( resid 61 and name HG )
     ( resid 61 and name hd2# )
     6.0 0.1 0.1 peak 704 volume 0.000e+00 ppm1 1.102 ppm2 0.591
ASSI ( resid 61 and name hb# )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 705 volume 0.000e+00 ppm1 1.860 ppm2 9.062
ASSI ( resid 103 and name HB2 )
     ( resid 103 and name HB3 )
     6.0 0.1 0.1 peak 706 volume 0.000e+00 ppm1 2.736 ppm2 2.294
ASSI ( resid 103 and name HA )
     ( resid 103 and name HB2 )
     6.0 0.1 0.1 peak 707 volume 0.000e+00 ppm1 4.652 ppm2 2.735
ASSI ( resid 103 and name HA )
     ( resid 103 and name HB3 )
     6.0 0.1 0.1 peak 708 volume 0.000e+00 ppm1 4.652 ppm2 2.294
ASSI ( resid 103 and name HA )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 709 volume 0.000e+00 ppm1 4.653 ppm2 9.067
ASSI ( resid 103 and name HB2 )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 710 volume 0.000e+00 ppm1 2.735 ppm2 9.067
ASSI ( resid 48 and name HA )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 721 volume 0.000e+00 ppm1 4.774 ppm2 -0.031
ASSI ( resid 90 and name HA )
     ( resid 90 and name HN )
     6.0 0.1 0.1 peak 722 volume 0.000e+00 ppm1 4.663 ppm2 8.356
ASSI ( resid 90 and name HB2 )
     ( resid 90 and name HN )
     6.0 0.1 0.1 peak 723 volume 0.000e+00 ppm1 3.166 ppm2 8.356
ASSI ( resid 90 and name HB3 )
     ( resid 90 and name HN )
     6.0 0.1 0.1 peak 724 volume 0.000e+00 ppm1 2.968 ppm2 8.356
ASSI ( resid 90 and name HA )
     ( resid 90 and name HB2 )
     6.0 0.1 0.1 peak 725 volume 0.000e+00 ppm1 4.665 ppm2 3.165
ASSI ( resid 90 and name HA )
     ( resid 90 and name HB3 )
     6.0 0.1 0.1 peak 726 volume 0.000e+00 ppm1 4.663 ppm2 2.968
ASSI ( resid 97 and name HA )
     ( resid 97 and name hd1# )
     6.0 0.1 0.1 peak 736 volume 0.000e+00 ppm1 4.425 ppm2 1.015
ASSI ( resid 97 and name HA )
     ( resid 97 and name hg1# )
     6.0 0.1 0.1 peak 737 volume 0.000e+00 ppm1 4.425 ppm2 0.419
ASSI ( resid 97 and name hd1# )
     ( resid 97 and name hg1# )
     6.0 0.1 0.1 peak 738 volume 0.000e+00 ppm1 1.016 ppm2 0.418
ASSI ( resid 53 and name HA )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 741 volume 0.000e+00 ppm1 4.247 ppm2 8.148
ASSI ( resid 30 and name HG2 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 744 volume 0.000e+00 ppm1 2.171 ppm2 8.100
ASSI ( resid 30 and name HA )
     ( resid 30 and name HG2 )
     6.0 0.1 0.1 peak 745 volume 0.000e+00 ppm1 5.690 ppm2 2.170
ASSI ( resid 50 and name HG )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 746 volume 0.000e+00 ppm1 1.480 ppm2 8.388
ASSI ( resid 45 and name HA )
     ( resid 45 and name HB2 )
     6.0 0.1 0.1 peak 747 volume 0.000e+00 ppm1 4.476 ppm2 2.097
ASSI ( resid 45 and name HA )
     ( resid 45 and name HB3 )
     6.0 0.1 0.1 peak 748 volume 0.000e+00 ppm1 4.476 ppm2 1.983
ASSI ( resid 45 and name HB2 )
     ( resid 45 and name HB3 )
     6.0 0.1 0.1 peak 749 volume 0.000e+00 ppm1 2.091 ppm2 1.982
ASSI ( resid 50 and name HA )
     ( resid 50 and name hb# )
     6.0 0.1 0.1 peak 750 volume 0.000e+00 ppm1 4.780 ppm2 1.714
ASSI ( resid 50 and name HA )
     ( resid 50 and name HG )
     6.0 0.1 0.1 peak 751 volume 0.000e+00 ppm1 4.780 ppm2 1.482
ASSI ( resid 64 and name HA )
     ( resid 64 and name hd1# )
     6.0 0.1 0.1 peak 757 volume 0.000e+00 ppm1 5.261 ppm2 0.663
ASSI ( resid 64 and name HA )
     ( resid 64 and name hd2# )
     6.0 0.1 0.1 peak 758 volume 0.000e+00 ppm1 5.261 ppm2 0.554
ASSI ( resid 64 and name HB2 )
     ( resid 64 and name hd1# )
     6.0 0.1 0.1 peak 760 volume 0.000e+00 ppm1 1.906 ppm2 0.663
ASSI ( resid 64 and name HB2 )
     ( resid 64 and name hd2# )
     6.0 0.1 0.1 peak 761 volume 0.000e+00 ppm1 1.905 ppm2 0.554
ASSI ( resid 64 and name HB3 )
     ( resid 64 and name hd1# )
     6.0 0.1 0.1 peak 762 volume 0.000e+00 ppm1 1.535 ppm2 0.661
ASSI ( resid 64 and name HB3 )
     ( resid 64 and name hd2# )
     6.0 0.1 0.1 peak 763 volume 0.000e+00 ppm1 1.534 ppm2 0.554
ASSI ( resid 64 and name HG )
     ( resid 64 and name hd1# )
     6.0 0.1 0.1 peak 764 volume 0.000e+00 ppm1 1.425 ppm2 0.663
ASSI ( resid 64 and name HG )
     ( resid 64 and name hd2# )
     6.0 0.1 0.1 peak 765 volume 0.000e+00 ppm1 1.426 ppm2 0.555
ASSI ( resid 64 and name hd1# )
     ( resid 64 and name hd2# )
     6.0 0.1 0.1 peak 766 volume 0.000e+00 ppm1 0.663 ppm2 0.555
ASSI ( resid 107 and name HA )
     ( resid 107 and name hg2# )
     6.0 0.1 0.1 peak 772 volume 0.000e+00 ppm1 4.374 ppm2 1.108
ASSI ( resid 107 and name HB )
     ( resid 107 and name hg2# )
     6.0 0.1 0.1 peak 773 volume 0.000e+00 ppm1 3.989 ppm2 1.108
ASSI ( resid 131 and name hg2# )
     ( resid 131 and name HA )
     6.0 0.1 0.1 peak 790 volume 0.000e+00 ppm1 3.942 ppm2 0.741
ASSI ( resid 77 and name HA )
     ( resid 77 and name HB2 )
     6.0 0.1 0.1 peak 794 volume 0.000e+00 ppm1 5.679 ppm2 2.049
ASSI ( resid 77 and name HA )
     ( resid 77 and name hg# )
     6.0 0.1 0.1 peak 795 volume 0.000e+00 ppm1 5.679 ppm2 1.456
ASSI ( resid 77 and name HB2 )
     ( resid 77 and name hg# )
     6.0 0.1 0.1 peak 796 volume 0.000e+00 ppm1 2.048 ppm2 1.456
ASSI ( resid 121 and name hb# )
     ( resid 121 and name HN )
     6.0 0.1 0.1 peak 809 volume 0.000e+00 ppm1 2.294 ppm2 8.378
ASSI ( resid 121 and name hg# )
     ( resid 121 and name HN )
     6.0 0.1 0.1 peak 810 volume 0.000e+00 ppm1 1.898 ppm2 8.377
ASSI ( resid 29 and name HA1 )
     ( resid 29 and name HA2 )
     6.0 0.1 0.1 peak 814 volume 0.000e+00 ppm1 4.336 ppm2 3.555
ASSI ( resid 74 and name hb# )
     ( resid 74 and name HN )
     6.0 0.1 0.1 peak 815 volume 0.000e+00 ppm1 2.174 ppm2 8.748
ASSI ( resid 74 and name hg# )
     ( resid 74 and name HN )
     6.0 0.1 0.1 peak 816 volume 0.000e+00 ppm1 1.840 ppm2 8.748
ASSI ( resid 74 and name HA )
     ( resid 74 and name HN )
     6.0 0.1 0.1 peak 817 volume 0.000e+00 ppm1 4.418 ppm2 8.749
ASSI ( resid 74 and name HA )
     ( resid 74 and name hb# )
     6.0 0.1 0.1 peak 818 volume 0.000e+00 ppm1 4.417 ppm2 2.172
ASSI ( resid 74 and name HA )
     ( resid 74 and name hg# )
     6.0 0.1 0.1 peak 819 volume 0.000e+00 ppm1 4.417 ppm2 1.841
ASSI ( resid 69 and name HA1 )
     ( resid 69 and name HN )
     6.0 0.1 0.1 peak 820 volume 0.000e+00 ppm1 3.945 ppm2 7.856
ASSI ( resid 69 and name HA2 )
     ( resid 69 and name HN )
     6.0 0.1 0.1 peak 821 volume 0.000e+00 ppm1 3.502 ppm2 7.858
ASSI ( resid 69 and name HA2 )
     ( resid 69 and name HA1 )
     6.0 0.1 0.1 peak 822 volume 0.000e+00 ppm1 3.945 ppm2 3.503
ASSI ( resid 120 and name HA )
     ( resid 120 and name HB3 )
     6.0 0.1 0.1 peak 826 volume 0.000e+00 ppm1 4.345 ppm2 1.610
ASSI ( resid 19 and name HA )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 842 volume 0.000e+00 ppm1 4.648 ppm2 8.121
ASSI ( resid 19 and name hb# )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 843 volume 0.000e+00 ppm1 1.274 ppm2 8.121
ASSI ( resid 20 and name HA )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 845 volume 0.000e+00 ppm1 5.609 ppm2 9.578
ASSI ( resid 20 and name HB )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 846 volume 0.000e+00 ppm1 3.560 ppm2 9.577
ASSI ( resid 21 and name HA )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 847 volume 0.000e+00 ppm1 4.752 ppm2 8.607
ASSI ( resid 21 and name HB2 )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 848 volume 0.000e+00 ppm1 3.260 ppm2 8.607
ASSI ( resid 18 and name HB )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 859 volume 0.000e+00 ppm1 1.739 ppm2 9.143
ASSI ( resid 98 and name HA )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 862 volume 7.022e+04 ppm1 5.212 ppm2 9.980
ASSI ( resid 98 and name HB2 )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 863 volume 0.000e+00 ppm1 2.971 ppm2 9.980
ASSI ( resid 98 and name HB3 )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 864 volume 0.000e+00 ppm1 2.848 ppm2 9.980
ASSI ( resid 99 and name HA )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 867 volume 0.000e+00 ppm1 5.243 ppm2 9.375
ASSI ( resid 99 and name HB2 )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 868 volume 6.490e+02 ppm1 1.762 ppm2 9.375
ASSI ( resid 99 and name HB3 )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 869 volume 2.138e+03 ppm1 1.428 ppm2 9.375
ASSI ( resid 100 and name HA )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 871 volume 0.000e+00 ppm1 4.476 ppm2 8.897
ASSI ( resid 101 and name HA )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 872 volume 0.000e+00 ppm1 4.885 ppm2 8.838
ASSI ( resid 101 and name HB2 )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 873 volume 0.000e+00 ppm1 1.869 ppm2 8.838
ASSI ( resid 102 and name HA )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 876 volume 0.000e+00 ppm1 4.983 ppm2 9.066
ASSI ( resid 102 and name HB2 )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 877 volume 0.000e+00 ppm1 3.311 ppm2 9.067
ASSI ( resid 102 and name HB3 )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 878 volume 0.000e+00 ppm1 2.424 ppm2 9.067
ASSI ( resid 103 and name HA )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 881 volume 0.000e+00 ppm1 4.653 ppm2 7.917
ASSI ( resid 103 and name HB2 )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 882 volume 0.000e+00 ppm1 2.736 ppm2 7.917
ASSI ( resid 103 and name HB3 )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 883 volume 0.000e+00 ppm1 2.296 ppm2 7.917
ASSI ( resid 81 and name HA )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 892 volume 0.000e+00 ppm1 4.094 ppm2 7.617
ASSI ( resid 81 and name HB2 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 893 volume 0.000e+00 ppm1 3.236 ppm2 7.617
ASSI ( resid 81 and name HB3 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 894 volume 0.000e+00 ppm1 3.034 ppm2 7.617
ASSI ( resid 104 and name HA )
     ( resid 105 and name HN )
     6.0 0.1 0.1 peak 895 volume 0.000e+00 ppm1 4.728 ppm2 8.556
ASSI ( resid 104 and name hb# )
     ( resid 105 and name HN )
     6.0 0.1 0.1 peak 896 volume 0.000e+00 ppm1 4.171 ppm2 8.562
ASSI ( resid 105 and name HA )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 901 volume 0.000e+00 ppm1 4.196 ppm2 8.459
ASSI ( resid 105 and name HB2 )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 902 volume 0.000e+00 ppm1 3.997 ppm2 8.458
ASSI ( resid 105 and name HB3 )
     ( resid 106 and name HN )
     6.0 0.1 0.1 peak 903 volume 0.000e+00 ppm1 3.906 ppm2 8.459
ASSI ( resid 76 and name HA )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 906 volume 0.000e+00 ppm1 4.703 ppm2 8.247
ASSI ( resid 76 and name HB2 )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 907 volume 0.000e+00 ppm1 1.865 ppm2 8.245
ASSI ( resid 77 and name HA )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 911 volume 8.730e+04 ppm1 5.670 ppm2 9.783
ASSI ( resid 77 and name HB2 )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 912 volume 1.560e+03 ppm1 2.052 ppm2 9.782
ASSI ( resid 77 and name hg# )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 913 volume 1.069e+03 ppm1 1.447 ppm2 9.783
ASSI ( resid 48 and name hb# )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 914 volume 0.000e+00 ppm1 -0.031 ppm2 8.356
ASSI ( resid 48 and name HA )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 915 volume 0.000e+00 ppm1 4.774 ppm2 8.356
ASSI ( resid 78 and name HB2 )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 924 volume 0.000e+00 ppm1 3.136 ppm2 8.030
ASSI ( resid 78 and name HB3 )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 925 volume 0.000e+00 ppm1 2.428 ppm2 8.033
ASSI ( resid 78 and name HA )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 926 volume 0.000e+00 ppm1 5.038 ppm2 8.033
ASSI ( resid 22 and name HB )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 929 volume 0.000e+00 ppm1 3.986 ppm2 7.050
ASSI ( resid 22 and name HA )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 930 volume 4.717e+04 ppm1 4.955 ppm2 7.051
ASSI ( resid 56 and name HA )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 933 volume 0.000e+00 ppm1 4.880 ppm2 7.331
ASSI ( resid 56 and name HB2 )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 934 volume 0.000e+00 ppm1 3.002 ppm2 7.331
ASSI ( resid 56 and name HB3 )
     ( resid 57 and name HN )
     6.0 0.1 0.1 peak 935 volume 0.000e+00 ppm1 2.741 ppm2 7.330
ASSI ( resid 57 and name hb# )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 936 volume 0.000e+00 ppm1 1.514 ppm2 9.078
ASSI ( resid 57 and name HA )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 937 volume 0.000e+00 ppm1 4.041 ppm2 9.083
ASSI ( resid 58 and name HA )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 940 volume 0.000e+00 ppm1 4.754 ppm2 7.264
ASSI ( resid 58 and name HB2 )
     ( resid 59 and name HN )
     6.0 0.1 0.1 peak 941 volume 0.000e+00 ppm1 2.790 ppm2 7.261
ASSI ( resid 59 and name HA )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 946 volume 0.000e+00 ppm1 5.442 ppm2 8.842
ASSI ( resid 59 and name HG2 )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 947 volume 0.000e+00 ppm1 1.963 ppm2 8.842
ASSI ( resid 59 and name HG3 )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 948 volume 0.000e+00 ppm1 1.684 ppm2 8.842
ASSI ( resid 60 and name HA )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 949 volume 0.000e+00 ppm1 4.675 ppm2 9.064
ASSI ( resid 61 and name HA )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 955 volume 0.000e+00 ppm1 5.031 ppm2 9.904
ASSI ( resid 61 and name hb# )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 956 volume 1.108e+03 ppm1 1.861 ppm2 9.903
ASSI ( resid 112 and name HA )
     ( resid 113 and name HN )
     6.0 0.1 0.1 peak 959 volume 8.981e+04 ppm1 5.107 ppm2 8.493
ASSI ( resid 113 and name HA )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 962 volume 0.000e+00 ppm1 5.619 ppm2 9.303
ASSI ( resid 113 and name HB2 )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 965 volume 0.000e+00 ppm1 2.682 ppm2 9.306
ASSI ( resid 113 and name HB3 )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 966 volume 0.000e+00 ppm1 2.392 ppm2 9.306
ASSI ( resid 23 and name HA1 )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 969 volume 0.000e+00 ppm1 3.974 ppm2 8.394
ASSI ( resid 23 and name HA2 )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 970 volume 0.000e+00 ppm1 3.793 ppm2 8.394
ASSI ( resid 24 and name HA )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 971 volume 0.000e+00 ppm1 5.037 ppm2 9.251
ASSI ( resid 24 and name HB )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 972 volume 0.000e+00 ppm1 3.816 ppm2 9.252
ASSI ( resid 25 and name HA )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 977 volume 0.000e+00 ppm1 4.670 ppm2 8.747
ASSI ( resid 28 and name HA )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 980 volume 0.000e+00 ppm1 4.348 ppm2 8.211
ASSI ( resid 28 and name hb# )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 981 volume 0.000e+00 ppm1 2.071 ppm2 8.218
ASSI ( resid 29 and name HA1 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 984 volume 0.000e+00 ppm1 4.336 ppm2 8.101
ASSI ( resid 29 and name HA2 )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 985 volume 0.000e+00 ppm1 3.561 ppm2 8.101
ASSI ( resid 30 and name HA )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 988 volume 1.203e+05 ppm1 5.692 ppm2 8.861
ASSI ( resid 62 and name HA )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 989 volume 0.000e+00 ppm1 4.594 ppm2 8.743
ASSI ( resid 106 and name HA )
     ( resid 107 and name HN )
     6.0 0.1 0.1 peak 992 volume 0.000e+00 ppm1 4.512 ppm2 8.659
ASSI ( resid 106 and name HB2 )
     ( resid 107 and name HN )
     6.0 0.1 0.1 peak 993 volume 0.000e+00 ppm1 2.247 ppm2 8.659
ASSI ( resid 106 and name HB3 )
     ( resid 107 and name HN )
     6.0 0.1 0.1 peak 994 volume 0.000e+00 ppm1 2.215 ppm2 8.659
ASSI ( resid 108 and name HA )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 997 volume 0.000e+00 ppm1 4.906 ppm2 8.623
ASSI ( resid 108 and name HB2 )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 998 volume 0.000e+00 ppm1 3.704 ppm2 8.620
ASSI ( resid 108 and name HB3 )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 999 volume 0.000e+00 ppm1 3.560 ppm2 8.620
ASSI ( resid 71 and name HA1 )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 1002 volume 0.000e+00 ppm1 4.215 ppm2 8.166
ASSI ( resid 71 and name HA2 )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 1003 volume 0.000e+00 ppm1 3.610 ppm2 8.162
ASSI ( resid 72 and name HA )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 1006 volume 0.000e+00 ppm1 4.545 ppm2 8.683
ASSI ( resid 72 and name HB3 )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 1007 volume 0.000e+00 ppm1 2.831 ppm2 8.684
ASSI ( resid 72 and name HB2 )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 1008 volume 0.000e+00 ppm1 2.901 ppm2 8.684
ASSI ( resid 17 and name HA )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 1014 volume 0.000e+00 ppm1 4.726 ppm2 7.903
ASSI ( resid 17 and name HB2 )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 1015 volume 0.000e+00 ppm1 2.935 ppm2 7.904
ASSI ( resid 17 and name HB3 )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 1017 volume 0.000e+00 ppm1 2.860 ppm2 7.905
ASSI ( resid 121 and name HA )
     ( resid 121 and name HN )
     6.0 0.1 0.1 peak 1022 volume 0.000e+00 ppm1 4.293 ppm2 8.376
ASSI ( resid 27 and name HA1 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 1025 volume 0.000e+00 ppm1 3.632 ppm2 8.427
ASSI ( resid 27 and name HA2 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 1026 volume 0.000e+00 ppm1 3.409 ppm2 8.427
ASSI ( resid 51 and name HA )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 1032 volume 0.000e+00 ppm1 5.262 ppm2 9.134
ASSI ( resid 51 and name HB2 )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 1033 volume 0.000e+00 ppm1 3.334 ppm2 9.134
ASSI ( resid 54 and name HB2 )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 1036 volume 0.000e+00 ppm1 3.006 ppm2 8.664
ASSI ( resid 54 and name HB3 )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 1037 volume 0.000e+00 ppm1 2.891 ppm2 8.664
ASSI ( resid 54 and name HA )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 1038 volume 0.000e+00 ppm1 4.777 ppm2 8.663
ASSI ( resid 55 and name HA )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1041 volume 0.000e+00 ppm1 4.019 ppm2 8.281
ASSI ( resid 55 and name HB )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1042 volume 0.000e+00 ppm1 2.193 ppm2 8.281
ASSI ( resid 70 and name HA )
     ( resid 71 and name HN )
     6.0 0.1 0.1 peak 1045 volume 0.000e+00 ppm1 4.592 ppm2 7.726
ASSI ( resid 70 and name hb# )
     ( resid 71 and name HN )
     6.0 0.1 0.1 peak 1046 volume 0.000e+00 ppm1 2.809 ppm2 7.726
ASSI ( resid 74 and name HA )
     ( resid 75 and name HN )
     6.0 0.1 0.1 peak 1051 volume 0.000e+00 ppm1 4.421 ppm2 9.146
ASSI ( resid 73 and name HA1 )
     ( resid 74 and name HN )
     6.0 0.1 0.1 peak 1054 volume 0.000e+00 ppm1 4.496 ppm2 8.751
ASSI ( resid 83 and name HA )
     ( resid 83 and name HB2 )
     6.0 0.1 0.1 peak 1060 volume 0.000e+00 ppm1 4.130 ppm2 2.197
ASSI ( resid 79 and name HA )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 1061 volume 0.000e+00 ppm1 5.025 ppm2 7.816
ASSI ( resid 79 and name HB2 )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 1062 volume 0.000e+00 ppm1 3.133 ppm2 7.816
ASSI ( resid 79 and name HB3 )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 1063 volume 0.000e+00 ppm1 2.442 ppm2 7.818
ASSI ( resid 118 and name HA )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 1067 volume 0.000e+00 ppm1 4.756 ppm2 8.011
ASSI ( resid 58 and name HA )
     ( resid 59 and name HB2 )
     6.0 0.1 0.1 peak 1070 volume 1.544e+03 ppm1 4.755 ppm2 2.698
ASSI ( resid 118 and name HB2 )
     ( resid 119 and name HN )
     6.0 0.1 0.1 peak 1074 volume 0.000e+00 ppm1 2.765 ppm2 8.391
ASSI ( resid 111 and name HA )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1079 volume 0.000e+00 ppm1 5.140 ppm2 9.827
ASSI ( resid 111 and name HB2 )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1080 volume 0.000e+00 ppm1 3.654 ppm2 9.827
ASSI ( resid 111 and name HB3 )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1081 volume 0.000e+00 ppm1 3.548 ppm2 9.827
ASSI ( resid 15 and name HA )
     ( resid 15 and name hd1# )
     6.0 0.1 0.1 peak 1090 volume 0.000e+00 ppm1 4.479 ppm2 0.798
ASSI ( resid 15 and name HB )
     ( resid 15 and name hd1# )
     6.0 0.1 0.1 peak 1092 volume 0.000e+00 ppm1 1.842 ppm2 0.798
ASSI ( resid 15 and name HG12 )
     ( resid 15 and name HG13 )
     6.0 0.1 0.1 peak 1093 volume 0.000e+00 ppm1 1.486 ppm2 1.154
ASSI ( resid 15 and name HG12 )
     ( resid 15 and name hd1# )
     6.0 0.1 0.1 peak 1094 volume 0.000e+00 ppm1 1.486 ppm2 0.798
ASSI ( resid 15 and name HG13 )
     ( resid 15 and name hd1# )
     6.0 0.1 0.1 peak 1095 volume 0.000e+00 ppm1 1.155 ppm2 0.798
ASSI ( resid 49 and name HB )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 1096 volume 1.496e+03 ppm1 1.585 ppm2 8.387
ASSI ( resid 97 and name HA )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 1098 volume 0.000e+00 ppm1 4.434 ppm2 8.743
ASSI ( resid 50 and name HA )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1099 volume 0.000e+00 ppm1 4.790 ppm2 9.271
ASSI ( resid 50 and name hb# )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1100 volume 0.000e+00 ppm1 1.710 ppm2 9.271
ASSI ( resid 50 and name HG )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1101 volume 0.000e+00 ppm1 1.482 ppm2 9.271
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name hb# )
     6.0 0.1 0.1 peak 1107 volume 0.000e+00 ppm1 3.869 ppm2 2.113
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name hg# )
     6.0 0.1 0.1 peak 1108 volume 0.000e+00 ppm1 3.867 ppm2 1.843
ASSI ( resid 16 and name HD3 )
     ( resid 16 and name hb# )
     6.0 0.1 0.1 peak 1109 volume 0.000e+00 ppm1 3.684 ppm2 2.113
ASSI ( resid 16 and name HD3 )
     ( resid 16 and name hg# )
     6.0 0.1 0.1 peak 1110 volume 0.000e+00 ppm1 3.687 ppm2 1.844
ASSI ( resid 16 and name hb# )
     ( resid 16 and name hg# )
     6.0 0.1 0.1 peak 1111 volume 0.000e+00 ppm1 2.113 ppm2 1.844
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HD3 )
     6.0 0.1 0.1 peak 1112 volume 0.000e+00 ppm1 3.870 ppm2 3.683
ASSI ( resid 21 and name HB3 )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 1113 volume 0.000e+00 ppm1 2.881 ppm2 7.137
ASSI ( resid 21 and name HB2 )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 1114 volume 0.000e+00 ppm1 3.260 ppm2 7.137
ASSI ( resid 21 and name HA )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 1115 volume 0.000e+00 ppm1 4.752 ppm2 7.137
ASSI ( resid 21 and name HB3 )
     ( resid 21 and name he# )
     6.0 0.1 0.1 peak 1116 volume 0.000e+00 ppm1 2.881 ppm2 6.806
ASSI ( resid 21 and name HB2 )
     ( resid 21 and name he# )
     6.0 0.1 0.1 peak 1117 volume 0.000e+00 ppm1 3.257 ppm2 6.807
ASSI ( resid 110 and name HB3 )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1118 volume 0.000e+00 ppm1 2.560 ppm2 6.499
ASSI ( resid 110 and name HB3 )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 1119 volume 0.000e+00 ppm1 2.560 ppm2 6.311
ASSI ( resid 110 and name HB2 )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1120 volume 0.000e+00 ppm1 3.014 ppm2 6.499
ASSI ( resid 110 and name HB2 )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 1121 volume 0.000e+00 ppm1 3.014 ppm2 6.312
ASSI ( resid 110 and name HA )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1122 volume 0.000e+00 ppm1 5.461 ppm2 6.497
ASSI ( resid 110 and name HA )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 1123 volume 0.000e+00 ppm1 5.461 ppm2 6.313
ASSI ( resid 54 and name HB3 )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 1127 volume 0.000e+00 ppm1 2.891 ppm2 7.455
ASSI ( resid 54 and name HB2 )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 1128 volume 0.000e+00 ppm1 3.008 ppm2 7.455
ASSI ( resid 54 and name HB3 )
     ( resid 54 and name HD22 )
     6.0 0.1 0.1 peak 1129 volume 0.000e+00 ppm1 2.891 ppm2 7.002
ASSI ( resid 54 and name HB2 )
     ( resid 54 and name HD22 )
     6.0 0.1 0.1 peak 1130 volume 0.000e+00 ppm1 3.009 ppm2 7.002
ASSI ( resid 54 and name HA )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 1131 volume 0.000e+00 ppm1 4.775 ppm2 7.455
ASSI ( resid 54 and name HA )
     ( resid 54 and name HD22 )
     6.0 0.1 0.1 peak 1132 volume 0.000e+00 ppm1 4.775 ppm2 7.002
ASSI ( resid 54 and name HD22 )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 1133 volume 0.000e+00 ppm1 7.002 ppm2 7.455
ASSI ( resid 54 and name HD22 )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 1134 volume 0.000e+00 ppm1 7.004 ppm2 8.601
ASSI ( resid 54 and name HD21 )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 1135 volume 0.000e+00 ppm1 7.456 ppm2 8.601
ASSI ( resid 56 and name HD22 )
     ( resid 56 and name HD21 )
     6.0 0.1 0.1 peak 1136 volume 0.000e+00 ppm1 6.911 ppm2 7.705
ASSI ( resid 56 and name HD22 )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1137 volume 0.000e+00 ppm1 6.911 ppm2 8.281
ASSI ( resid 56 and name HD21 )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1138 volume 0.000e+00 ppm1 7.705 ppm2 8.280
ASSI ( resid 56 and name HA )
     ( resid 56 and name HD21 )
     6.0 0.1 0.1 peak 1139 volume 0.000e+00 ppm1 4.880 ppm2 7.705
ASSI ( resid 56 and name HA )
     ( resid 56 and name HD22 )
     6.0 0.1 0.1 peak 1140 volume 0.000e+00 ppm1 4.880 ppm2 6.909
ASSI ( resid 56 and name HB2 )
     ( resid 56 and name HD21 )
     6.0 0.1 0.1 peak 1141 volume 0.000e+00 ppm1 3.004 ppm2 7.705
ASSI ( resid 56 and name HB3 )
     ( resid 56 and name HD21 )
     6.0 0.1 0.1 peak 1142 volume 0.000e+00 ppm1 2.741 ppm2 7.705
ASSI ( resid 56 and name HB3 )
     ( resid 56 and name HD22 )
     6.0 0.1 0.1 peak 1143 volume 0.000e+00 ppm1 2.743 ppm2 6.909
ASSI ( resid 56 and name HB2 )
     ( resid 56 and name HD22 )
     6.0 0.1 0.1 peak 1144 volume 0.000e+00 ppm1 3.004 ppm2 6.909
ASSI ( resid 98 and name HA )
     ( resid 98 and name HD1 )
     6.0 0.1 0.1 peak 1149 volume 0.000e+00 ppm1 5.209 ppm2 6.721
ASSI ( resid 98 and name HB2 )
     ( resid 98 and name HD1 )
     6.0 0.1 0.1 peak 1152 volume 0.000e+00 ppm1 2.975 ppm2 6.721
ASSI ( resid 98 and name HB3 )
     ( resid 98 and name HD1 )
     6.0 0.1 0.1 peak 1153 volume 0.000e+00 ppm1 2.840 ppm2 6.723
ASSI ( resid 102 and name HB3 )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1158 volume 0.000e+00 ppm1 2.424 ppm2 7.083
ASSI ( resid 102 and name HB2 )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1159 volume 0.000e+00 ppm1 3.314 ppm2 7.083
ASSI ( resid 102 and name HB2 )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1160 volume 0.000e+00 ppm1 3.311 ppm2 6.571
ASSI ( resid 102 and name HB3 )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1161 volume 0.000e+00 ppm1 2.422 ppm2 6.572
ASSI ( resid 102 and name HA )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1162 volume 0.000e+00 ppm1 4.983 ppm2 7.083
ASSI ( resid 102 and name HA )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1163 volume 0.000e+00 ppm1 4.983 ppm2 6.573
ASSI ( resid 102 and name HD22 )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 1166 volume 0.000e+00 ppm1 6.570 ppm2 8.839
ASSI ( resid 102 and name HD21 )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 1167 volume 0.000e+00 ppm1 7.083 ppm2 8.839
ASSI ( resid 100 and name HN )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1169 volume 0.000e+00 ppm1 9.382 ppm2 9.979
ASSI ( resid 61 and name HN )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 1170 volume 0.000e+00 ppm1 9.067 ppm2 9.904
ASSI ( resid 63 and name HN )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 1173 volume 0.000e+00 ppm1 8.747 ppm2 9.904
ASSI ( resid 111 and name HN )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1174 volume 0.000e+00 ppm1 8.651 ppm2 9.824
ASSI ( resid 26 and name HN )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 1175 volume 0.000e+00 ppm1 8.748 ppm2 9.254
ASSI ( resid 22 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1180 volume 0.000e+00 ppm1 8.602 ppm2 9.579
ASSI ( resid 113 and name HN )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1181 volume 0.000e+00 ppm1 8.496 ppm2 9.830
ASSI ( resid 113 and name HN )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 1182 volume 0.000e+00 ppm1 8.498 ppm2 9.303
ASSI ( resid 24 and name HN )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 1183 volume 0.000e+00 ppm1 8.397 ppm2 9.257
ASSI ( resid 27 and name HN )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 1185 volume 0.000e+00 ppm1 8.536 ppm2 8.748
ASSI ( resid 106 and name HN )
     ( resid 107 and name HN )
     6.0 0.1 0.1 peak 1187 volume 0.000e+00 ppm1 8.453 ppm2 8.661
ASSI ( resid 106 and name HN )
     ( resid 105 and name HN )
     6.0 0.1 0.1 peak 1188 volume 0.000e+00 ppm1 8.455 ppm2 8.560
ASSI ( resid 56 and name HN )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 1190 volume 2.594e+03 ppm1 8.285 ppm2 8.661
ASSI ( resid 29 and name HN )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 1191 volume 0.000e+00 ppm1 8.214 ppm2 8.430
ASSI ( resid 30 and name HN )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 1193 volume 0.000e+00 ppm1 8.095 ppm2 8.864
ASSI ( resid 20 and name HN )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 1194 volume 0.000e+00 ppm1 8.118 ppm2 9.140
ASSI ( resid 20 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1195 volume 0.000e+00 ppm1 8.118 ppm2 9.578
ASSI ( resid 77 and name HN )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1196 volume 0.000e+00 ppm1 8.246 ppm2 9.781
ASSI ( resid 79 and name HN )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1197 volume 0.000e+00 ppm1 8.034 ppm2 9.781
ASSI ( resid 18 and name HN )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 1198 volume 0.000e+00 ppm1 7.905 ppm2 9.144
ASSI ( resid 104 and name HN )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 1199 volume 0.000e+00 ppm1 7.918 ppm2 9.067
ASSI ( resid 104 and name HN )
     ( resid 105 and name HN )
     6.0 0.1 0.1 peak 1200 volume 0.000e+00 ppm1 7.918 ppm2 8.557
ASSI ( resid 18 and name HN )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 1201 volume 0.000e+00 ppm1 7.905 ppm2 8.459
ASSI ( resid 30 and name HN )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 1205 volume 0.000e+00 ppm1 8.095 ppm2 8.215
ASSI ( resid 71 and name HN )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 1206 volume 0.000e+00 ppm1 7.725 ppm2 8.165
ASSI ( resid 80 and name HN )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 1207 volume 9.160e+02 ppm1 7.819 ppm2 8.033
ASSI ( resid 71 and name HN )
     ( resid 70 and name HN )
     6.0 0.1 0.1 peak 1208 volume 0.000e+00 ppm1 7.731 ppm2 7.931
ASSI ( resid 21 and name hd# )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1209 volume 0.000e+00 ppm1 7.135 ppm2 9.577
ASSI ( resid 82 and name HN )
     ( resid 81 and name HN )
     6.0 0.1 0.1 peak 1210 volume 0.000e+00 ppm1 7.620 ppm2 9.076
ASSI ( resid 76 and name HN )
     ( resid 75 and name HN )
     6.0 0.1 0.1 peak 1211 volume 0.000e+00 ppm1 7.463 ppm2 9.151
ASSI ( resid 57 and name HN )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 1212 volume 0.000e+00 ppm1 7.332 ppm2 9.086
ASSI ( resid 59 and name HN )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 1213 volume 0.000e+00 ppm1 7.265 ppm2 9.076
ASSI ( resid 59 and name HN )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 1214 volume 0.000e+00 ppm1 7.265 ppm2 8.842
ASSI ( resid 76 and name HN )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 1215 volume 0.000e+00 ppm1 7.465 ppm2 8.246
ASSI ( resid 57 and name HN )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 1216 volume 4.720e+03 ppm1 7.332 ppm2 8.282
ASSI ( resid 98 and name HD1 )
     ( resid 98 and name HN )
     6.0 0.1 0.1 peak 1217 volume 0.000e+00 ppm1 6.722 ppm2 9.208
ASSI ( resid 23 and name HN )
     ( resid 22 and name HN )
     6.0 0.1 0.1 peak 1218 volume 0.000e+00 ppm1 7.048 ppm2 8.604
ASSI ( resid 23 and name HN )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 1219 volume 0.000e+00 ppm1 7.046 ppm2 8.395
ASSI ( resid 110 and name hd# )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 1220 volume 0.000e+00 ppm1 6.505 ppm2 8.642
ASSI ( resid 110 and name he# )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 1221 volume 0.000e+00 ppm1 6.317 ppm2 8.642
ASSI ( resid 102 and name HD22 )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1223 volume 0.000e+00 ppm1 6.572 ppm2 7.084
ASSI ( resid 110 and name he# )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1224 volume 0.000e+00 ppm1 6.317 ppm2 6.507
ASSI ( resid 103 and name HB2 )
     ( resid 103 and name HD21 )
     6.0 0.1 0.1 peak 1226 volume 0.000e+00 ppm1 2.735 ppm2 7.104
ASSI ( resid 103 and name HB3 )
     ( resid 103 and name HD21 )
     6.0 0.1 0.1 peak 1227 volume 0.000e+00 ppm1 2.298 ppm2 7.104
ASSI ( resid 103 and name HA )
     ( resid 103 and name HD21 )
     6.0 0.1 0.1 peak 1228 volume 0.000e+00 ppm1 4.655 ppm2 7.104
ASSI ( resid 103 and name HD21 )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 1229 volume 0.000e+00 ppm1 7.106 ppm2 9.067
ASSI ( resid 98 and name HN )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1230 volume 0.000e+00 ppm1 9.210 ppm2 9.979
ASSI ( resid 109 and name HB3 )
     ( resid 109 and name HD21 )
     6.0 0.1 0.1 peak 1231 volume 0.000e+00 ppm1 2.607 ppm2 7.523
ASSI ( resid 109 and name HB2 )
     ( resid 109 and name HD21 )
     6.0 0.1 0.1 peak 1232 volume 0.000e+00 ppm1 2.839 ppm2 7.523
ASSI ( resid 109 and name HB2 )
     ( resid 109 and name HD22 )
     6.0 0.1 0.1 peak 1233 volume 0.000e+00 ppm1 2.840 ppm2 6.607
ASSI ( resid 109 and name HB3 )
     ( resid 109 and name HD22 )
     6.0 0.1 0.1 peak 1234 volume 0.000e+00 ppm1 2.607 ppm2 6.607
ASSI ( resid 109 and name HA )
     ( resid 109 and name HD21 )
     6.0 0.1 0.1 peak 1235 volume 0.000e+00 ppm1 5.288 ppm2 7.524
ASSI ( resid 109 and name HA )
     ( resid 109 and name HD22 )
     6.0 0.1 0.1 peak 1236 volume 0.000e+00 ppm1 5.286 ppm2 6.608
ASSI ( resid 109 and name HD22 )
     ( resid 109 and name HD21 )
     6.0 0.1 0.1 peak 1237 volume 0.000e+00 ppm1 6.609 ppm2 7.523
ASSI ( resid 109 and name HD22 )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 1238 volume 0.000e+00 ppm1 6.606 ppm2 8.623
ASSI ( resid 109 and name HD21 )
     ( resid 109 and name HN )
     6.0 0.1 0.1 peak 1239 volume 0.000e+00 ppm1 7.526 ppm2 8.622
ASSI ( resid 109 and name HA )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 1248 volume 0.000e+00 ppm1 5.286 ppm2 8.639
ASSI ( resid 109 and name HB2 )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 1249 volume 0.000e+00 ppm1 2.841 ppm2 8.639
ASSI ( resid 109 and name HB3 )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 1250 volume 0.000e+00 ppm1 2.605 ppm2 8.638
ASSI ( resid 110 and name HA )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 1251 volume 0.000e+00 ppm1 5.468 ppm2 8.650
ASSI ( resid 110 and name HB2 )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 1252 volume 0.000e+00 ppm1 3.016 ppm2 8.650
ASSI ( resid 110 and name HB3 )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 1253 volume 0.000e+00 ppm1 2.562 ppm2 8.650
ASSI ( resid 86 and name hd# )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 1255 volume 0.000e+00 ppm1 6.841 ppm2 8.865
ASSI ( resid 86 and name HA )
     ( resid 86 and name hd# )
     6.0 0.1 0.1 peak 1256 volume 0.000e+00 ppm1 4.654 ppm2 6.840
ASSI ( resid 86 and name HB2 )
     ( resid 86 and name hd# )
     6.0 0.1 0.1 peak 1257 volume 0.000e+00 ppm1 2.644 ppm2 6.841
ASSI ( resid 86 and name HB3 )
     ( resid 86 and name hd# )
     6.0 0.1 0.1 peak 1258 volume 0.000e+00 ppm1 2.328 ppm2 6.841
ASSI ( resid 85 and name HA )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 1259 volume 0.000e+00 ppm1 5.438 ppm2 8.867
ASSI ( resid 130 and name HD2 )
     ( resid 130 and name HG2 )
     6.0 0.1 0.1 peak 1269 volume 0.000e+00 ppm1 3.870 ppm2 1.995
ASSI ( resid 130 and name HD2 )
     ( resid 130 and name HG3 )
     6.0 0.1 0.1 peak 1270 volume 0.000e+00 ppm1 3.872 ppm2 1.919
ASSI ( resid 130 and name HD3 )
     ( resid 130 and name HG2 )
     6.0 0.1 0.1 peak 1272 volume 0.000e+00 ppm1 3.685 ppm2 1.995
ASSI ( resid 130 and name HD3 )
     ( resid 130 and name HG3 )
     6.0 0.1 0.1 peak 1273 volume 0.000e+00 ppm1 3.685 ppm2 1.918
ASSI ( resid 83 and name HA )
     ( resid 83 and name HD3 )
     6.0 0.1 0.1 peak 1277 volume 0.000e+00 ppm1 4.130 ppm2 3.767
ASSI ( resid 83 and name HD2 )
     ( resid 83 and name HD3 )
     6.0 0.1 0.1 peak 1278 volume 0.000e+00 ppm1 3.992 ppm2 3.767
ASSI ( resid 83 and name HA )
     ( resid 83 and name HB3 )
     6.0 0.1 0.1 peak 1279 volume 0.000e+00 ppm1 4.130 ppm2 2.029
ASSI ( resid 83 and name HA )
     ( resid 83 and name HG2 )
     6.0 0.1 0.1 peak 1280 volume 0.000e+00 ppm1 4.130 ppm2 1.915
ASSI ( resid 83 and name HA )
     ( resid 83 and name HG3 )
     6.0 0.1 0.1 peak 1281 volume 0.000e+00 ppm1 4.130 ppm2 1.719
ASSI ( resid 83 and name HD2 )
     ( resid 83 and name HB2 )
     6.0 0.1 0.1 peak 1282 volume 0.000e+00 ppm1 3.992 ppm2 2.197
ASSI ( resid 83 and name HD3 )
     ( resid 83 and name HB2 )
     6.0 0.1 0.1 peak 1283 volume 0.000e+00 ppm1 3.767 ppm2 2.196
ASSI ( resid 83 and name HD2 )
     ( resid 83 and name HB3 )
     6.0 0.1 0.1 peak 1284 volume 0.000e+00 ppm1 3.992 ppm2 2.029
ASSI ( resid 83 and name HD3 )
     ( resid 83 and name HB3 )
     6.0 0.1 0.1 peak 1285 volume 0.000e+00 ppm1 3.767 ppm2 2.027
ASSI ( resid 83 and name HD2 )
     ( resid 83 and name HG2 )
     6.0 0.1 0.1 peak 1289 volume 0.000e+00 ppm1 3.992 ppm2 1.915
ASSI ( resid 83 and name HD2 )
     ( resid 83 and name HG3 )
     6.0 0.1 0.1 peak 1290 volume 0.000e+00 ppm1 3.992 ppm2 1.719
ASSI ( resid 83 and name HD3 )
     ( resid 83 and name HG3 )
     6.0 0.1 0.1 peak 1291 volume 0.000e+00 ppm1 3.767 ppm2 1.719
ASSI ( resid 83 and name HD3 )
     ( resid 83 and name HG2 )
     6.0 0.1 0.1 peak 1292 volume 0.000e+00 ppm1 3.767 ppm2 1.915
ASSI ( resid 83 and name HB2 )
     ( resid 83 and name HG2 )
     6.0 0.1 0.1 peak 1293 volume 0.000e+00 ppm1 2.196 ppm2 1.915
ASSI ( resid 83 and name HB2 )
     ( resid 83 and name HG3 )
     6.0 0.1 0.1 peak 1294 volume 0.000e+00 ppm1 2.196 ppm2 1.723
ASSI ( resid 83 and name HB3 )
     ( resid 83 and name HG2 )
     6.0 0.1 0.1 peak 1295 volume 0.000e+00 ppm1 2.029 ppm2 1.915
ASSI ( resid 83 and name HB3 )
     ( resid 83 and name HG3 )
     6.0 0.1 0.1 peak 1296 volume 0.000e+00 ppm1 2.029 ppm2 1.724
ASSI ( resid 16 and name HA )
     ( resid 16 and name HD2 )
     6.0 0.1 0.1 peak 1297 volume 0.000e+00 ppm1 4.418 ppm2 3.876
ASSI ( resid 16 and name HA )
     ( resid 16 and name HD3 )
     6.0 0.1 0.1 peak 1298 volume 0.000e+00 ppm1 4.418 ppm2 3.683
ASSI ( resid 16 and name HA )
     ( resid 16 and name hb# )
     6.0 0.1 0.1 peak 1300 volume 0.000e+00 ppm1 4.416 ppm2 2.115
ASSI ( resid 16 and name HA )
     ( resid 16 and name hg# )
     6.0 0.1 0.1 peak 1301 volume 0.000e+00 ppm1 4.416 ppm2 1.844
ASSI ( resid 82 and name HA )
     ( resid 83 and name HD3 )
     6.0 0.1 0.1 peak 1304 volume 0.000e+00 ppm1 4.977 ppm2 3.768
ASSI ( resid 82 and name HA )
     ( resid 83 and name HD2 )
     6.0 0.1 0.1 peak 1305 volume 0.000e+00 ppm1 4.977 ppm2 3.995
ASSI ( resid 83 and name HA )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1306 volume 0.000e+00 ppm1 4.128 ppm2 9.297
ASSI ( resid 83 and name HB3 )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1307 volume 0.000e+00 ppm1 2.030 ppm2 9.298
ASSI ( resid 83 and name HG2 )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1308 volume 0.000e+00 ppm1 1.918 ppm2 9.298
ASSI ( resid 83 and name HG3 )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1309 volume 0.000e+00 ppm1 1.726 ppm2 9.298
ASSI ( resid 16 and name HA )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 1310 volume 0.000e+00 ppm1 4.430 ppm2 8.463
ASSI ( resid 124 and name HA )
     ( resid 124 and name HN )
     6.0 0.1 0.1 peak 1313 volume 0.000e+00 ppm1 4.511 ppm2 8.140
ASSI ( resid 124 and name hb# )
     ( resid 124 and name HN )
     6.0 0.1 0.1 peak 1315 volume 0.000e+00 ppm1 3.022 ppm2 8.141
ASSI ( resid 77 and name HB3 )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 1324 volume 0.000e+00 ppm1 1.991 ppm2 8.246
ASSI ( resid 77 and name HA )
     ( resid 77 and name HB3 )
     6.0 0.1 0.1 peak 1326 volume 0.000e+00 ppm1 5.679 ppm2 1.989
ASSI ( resid 53 and name HN )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 1328 volume 3.305e+03 ppm1 8.143 ppm2 8.599
ASSI ( resid 53 and name HA )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 1329 volume 0.000e+00 ppm1 4.247 ppm2 8.601
ASSI ( resid 65 and name HA )
     ( resid 65 and name HB2 )
     6.0 0.1 0.1 peak 1332 volume 0.000e+00 ppm1 4.985 ppm2 1.659
ASSI ( resid 65 and name HA )
     ( resid 65 and name HB3 )
     6.0 0.1 0.1 peak 1333 volume 0.000e+00 ppm1 4.985 ppm2 1.463
ASSI ( resid 64 and name HB2 )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 1334 volume 0.000e+00 ppm1 1.914 ppm2 8.934
ASSI ( resid 63 and name HA )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1335 volume 0.000e+00 ppm1 4.959 ppm2 9.503
ASSI ( resid 64 and name HA )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 1337 volume 0.000e+00 ppm1 5.274 ppm2 8.934
ASSI ( resid 47 and name HA )
     ( resid 47 and name HB2 )
     6.0 0.1 0.1 peak 1338 volume 0.000e+00 ppm1 5.589 ppm2 2.923
ASSI ( resid 47 and name HA )
     ( resid 47 and name HB3 )
     6.0 0.1 0.1 peak 1339 volume 0.000e+00 ppm1 5.589 ppm2 2.857
ASSI ( resid 47 and name HA )
     ( resid 47 and name HN )
     6.0 0.1 0.1 peak 1340 volume 0.000e+00 ppm1 5.587 ppm2 8.427
ASSI ( resid 47 and name HA )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 1341 volume 0.000e+00 ppm1 5.590 ppm2 8.014
ASSI ( resid 80 and name HA )
     ( resid 80 and name HB )
     6.0 0.1 0.1 peak 1342 volume 0.000e+00 ppm1 3.588 ppm2 1.763
ASSI ( resid 80 and name HA )
     ( resid 80 and name hg1# )
     6.0 0.1 0.1 peak 1343 volume 0.000e+00 ppm1 3.589 ppm2 1.060
ASSI ( resid 80 and name HA )
     ( resid 80 and name hg2# )
     6.0 0.1 0.1 peak 1344 volume 0.000e+00 ppm1 3.588 ppm2 0.886
ASSI ( resid 80 and name HB )
     ( resid 80 and name hg1# )
     6.0 0.1 0.1 peak 1345 volume 0.000e+00 ppm1 1.766 ppm2 1.060
ASSI ( resid 80 and name hg1# )
     ( resid 80 and name hg2# )
     6.0 0.1 0.1 peak 1346 volume 0.000e+00 ppm1 1.059 ppm2 0.888
ASSI ( resid 75 and name HA )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 1358 volume 0.000e+00 ppm1 4.559 ppm2 7.463
ASSI ( resid 124 and name HA )
     ( resid 125 and name HN )
     6.0 0.1 0.1 peak 1374 volume 0.000e+00 ppm1 4.515 ppm2 7.374
ASSI ( resid 125 and name HN )
     ( resid 124 and name HN )
     6.0 0.1 0.1 peak 1375 volume 0.000e+00 ppm1 7.378 ppm2 8.142
ASSI ( resid 18 and name HA )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 1376 volume 0.000e+00 ppm1 4.613 ppm2 9.143
ASSI ( resid 47 and name HB3 )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 1377 volume 0.000e+00 ppm1 2.858 ppm2 6.836
ASSI ( resid 47 and name HB2 )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 1378 volume 0.000e+00 ppm1 2.921 ppm2 6.836
ASSI ( resid 47 and name HB2 )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 1379 volume 0.000e+00 ppm1 2.921 ppm2 6.567
ASSI ( resid 47 and name HB3 )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 1380 volume 0.000e+00 ppm1 2.856 ppm2 6.567
ASSI ( resid 47 and name HA )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 1381 volume 0.000e+00 ppm1 5.589 ppm2 6.837
ASSI ( resid 47 and name HA )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 1382 volume 0.000e+00 ppm1 5.589 ppm2 6.567
ASSI ( resid 47 and name he# )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 1383 volume 0.000e+00 ppm1 6.568 ppm2 6.836
ASSI ( resid 102 and name HD22 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 1384 volume 9.500e+02 ppm1 6.573 ppm2 8.428
ASSI ( resid 49 and name HA )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 1385 volume 0.000e+00 ppm1 3.779 ppm2 8.389
ASSI ( resid 51 and name HA )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1386 volume 0.000e+00 ppm1 5.259 ppm2 7.288
ASSI ( resid 51 and name HB2 )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1387 volume 0.000e+00 ppm1 3.334 ppm2 7.289
ASSI ( resid 51 and name HB3 )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1388 volume 0.000e+00 ppm1 3.088 ppm2 7.288
ASSI ( resid 51 and name HD2 )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1389 volume 0.000e+00 ppm1 7.292 ppm2 9.272
ASSI ( resid 64 and name hd1# )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1391 volume 0.000e+00 ppm1 0.661 ppm2 9.505
ASSI ( resid 64 and name hd2# )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1392 volume 0.000e+00 ppm1 0.548 ppm2 9.506
ASSI ( resid 80 and name HN )
     ( resid 81 and name HN )
     6.0 0.1 0.1 peak 1393 volume 0.000e+00 ppm1 7.818 ppm2 9.071
ASSI ( resid 84 and name HA )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 1396 volume 0.000e+00 ppm1 4.497 ppm2 8.195
ASSI ( resid 85 and name HN )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1397 volume 0.000e+00 ppm1 8.189 ppm2 9.295
ASSI ( resid 112 and name HA )
     ( resid 112 and name hd1# )
     6.0 0.1 0.1 peak 1400 volume 0.000e+00 ppm1 5.112 ppm2 0.493
ASSI ( resid 112 and name HA )
     ( resid 112 and name hd2# )
     6.0 0.1 0.1 peak 1401 volume 0.000e+00 ppm1 5.112 ppm2 0.444
ASSI ( resid 112 and name HB2 )
     ( resid 112 and name hd1# )
     6.0 0.1 0.1 peak 1403 volume 0.000e+00 ppm1 2.112 ppm2 0.493
ASSI ( resid 112 and name HB2 )
     ( resid 112 and name hd2# )
     6.0 0.1 0.1 peak 1404 volume 0.000e+00 ppm1 2.112 ppm2 0.444
ASSI ( resid 63 and name hd2# )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 1405 volume 0.000e+00 ppm1 -0.188 ppm2 8.744
ASSI ( resid 63 and name hd1# )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 1406 volume 0.000e+00 ppm1 0.264 ppm2 8.746
ASSI ( resid 26 and name HG2 )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 1407 volume 0.000e+00 ppm1 2.169 ppm2 8.747
ASSI ( resid 26 and name HA )
     ( resid 26 and name HG2 )
     6.0 0.1 0.1 peak 1408 volume 0.000e+00 ppm1 4.400 ppm2 2.156
ASSI ( resid 26 and name hb# )
     ( resid 26 and name HG2 )
     6.0 0.1 0.1 peak 1409 volume 0.000e+00 ppm1 2.474 ppm2 2.156
ASSI ( resid 26 and name HA )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 1410 volume 0.000e+00 ppm1 4.400 ppm2 8.535
ASSI ( resid 52 and name HA )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 1412 volume 0.000e+00 ppm1 4.766 ppm2 8.146
ASSI ( resid 52 and name HA )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1414 volume 0.000e+00 ppm1 4.772 ppm2 9.270
ASSI ( resid 72 and name HD1 )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1415 volume 0.000e+00 ppm1 7.235 ppm2 10.291
ASSI ( resid 72 and name HB2 )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 1416 volume 0.000e+00 ppm1 2.909 ppm2 7.234
ASSI ( resid 72 and name HB3 )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 1417 volume 0.000e+00 ppm1 2.831 ppm2 7.234
ASSI ( resid 98 and name HD1 )
     ( resid 98 and name HE1 )
     6.0 0.1 0.1 peak 1419 volume 0.000e+00 ppm1 6.727 ppm2 10.600
ASSI ( resid 51 and name HD2 )
     ( resid 51 and name HE1 )
     6.0 0.1 0.1 peak 1422 volume 0.000e+00 ppm1 7.290 ppm2 8.614
ASSI ( resid 21 and name HA )
     ( resid 21 and name he# )
     6.0 0.1 0.1 peak 1427 volume 0.000e+00 ppm1 4.753 ppm2 6.807
ASSI ( resid 72 and name HD1 )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 1435 volume 0.000e+00 ppm1 7.241 ppm2 8.166
ASSI ( resid 70 and name HD22 )
     ( resid 70 and name HD21 )
     6.0 0.1 0.1 peak 1436 volume 0.000e+00 ppm1 6.832 ppm2 7.420
ASSI ( resid 70 and name HA )
     ( resid 70 and name HD21 )
     6.0 0.1 0.1 peak 1437 volume 0.000e+00 ppm1 4.588 ppm2 7.420
ASSI ( resid 70 and name HA )
     ( resid 70 and name HD22 )
     6.0 0.1 0.1 peak 1438 volume 0.000e+00 ppm1 4.588 ppm2 6.832
ASSI ( resid 70 and name hb# )
     ( resid 70 and name HD21 )
     6.0 0.1 0.1 peak 1439 volume 0.000e+00 ppm1 2.812 ppm2 7.421
ASSI ( resid 70 and name hb# )
     ( resid 70 and name HD22 )
     6.0 0.1 0.1 peak 1440 volume 0.000e+00 ppm1 2.812 ppm2 6.832
ASSI ( resid 72 and name HZ2 )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1443 volume 0.000e+00 ppm1 7.443 ppm2 10.291
ASSI ( resid 98 and name HZ2 )
     ( resid 98 and name HE1 )
     6.0 0.1 0.1 peak 1444 volume 0.000e+00 ppm1 7.194 ppm2 10.602
ASSI ( attr store1 < 2.188 and attr store1 > 2.148 )
     ( attr store1 < 7.485 and attr store1 > 7.445 )
     6.0 0.1 0.1 peak 1451 volume 2.933e+03 ppm1 2.168 ppm2 7.465
ASSI ( resid 78 and name HB3 )
     ( resid 78 and name HD21 )
     6.0 0.1 0.1 peak 1452 volume 0.000e+00 ppm1 2.432 ppm2 6.654
ASSI ( resid 78 and name HB2 )
     ( resid 78 and name HD21 )
     6.0 0.1 0.1 peak 1453 volume 0.000e+00 ppm1 3.131 ppm2 6.654
ASSI ( resid 78 and name HB2 )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 1454 volume 0.000e+00 ppm1 3.135 ppm2 6.607
ASSI ( resid 78 and name HB3 )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 1455 volume 0.000e+00 ppm1 2.435 ppm2 6.604
ASSI ( resid 78 and name HA )
     ( resid 78 and name HD21 )
     6.0 0.1 0.1 peak 1456 volume 0.000e+00 ppm1 5.034 ppm2 6.654
ASSI ( resid 78 and name HA )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 1457 volume 0.000e+00 ppm1 5.036 ppm2 6.607
ASSI ( resid 98 and name HZ2 )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1462 volume 0.000e+00 ppm1 7.190 ppm2 7.268
ASSI ( resid 89 and name HB3 )
     ( resid 89 and name hd# )
     6.0 0.1 0.1 peak 1470 volume 0.000e+00 ppm1 2.523 ppm2 6.968
ASSI ( resid 89 and name HB2 )
     ( resid 89 and name hd# )
     6.0 0.1 0.1 peak 1471 volume 0.000e+00 ppm1 2.905 ppm2 6.968
ASSI ( resid 89 and name HB3 )
     ( resid 89 and name he# )
     6.0 0.1 0.1 peak 1473 volume 0.000e+00 ppm1 2.523 ppm2 6.728
ASSI ( resid 89 and name HA )
     ( resid 89 and name hd# )
     6.0 0.1 0.1 peak 1474 volume 0.000e+00 ppm1 4.364 ppm2 6.967
ASSI ( resid 89 and name HA )
     ( resid 89 and name he# )
     6.0 0.1 0.1 peak 1475 volume 0.000e+00 ppm1 4.364 ppm2 6.728
ASSI ( resid 89 and name he# )
     ( resid 89 and name hd# )
     6.0 0.1 0.1 peak 1476 volume 0.000e+00 ppm1 6.733 ppm2 6.967
ASSI ( resid 96 and name HE3 )
     ( resid 96 and name HZ2 )
     6.0 0.1 0.1 peak 1478 volume 0.000e+00 ppm1 7.319 ppm2 7.421
ASSI ( resid 96 and name HH2 )
     ( resid 96 and name HZ2 )
     6.0 0.1 0.1 peak 1479 volume 0.000e+00 ppm1 7.037 ppm2 7.421
ASSI ( resid 96 and name HH2 )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 1481 volume 0.000e+00 ppm1 7.036 ppm2 7.320
ASSI ( resid 98 and name HZ3 )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1484 volume 0.000e+00 ppm1 6.837 ppm2 7.270
ASSI ( resid 98 and name HH2 )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1485 volume 0.000e+00 ppm1 6.659 ppm2 7.270
ASSI ( resid 98 and name HZ3 )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 1486 volume 0.000e+00 ppm1 6.837 ppm2 7.192
ASSI ( resid 98 and name HH2 )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 1487 volume 0.000e+00 ppm1 6.659 ppm2 7.192
ASSI ( resid 98 and name HH2 )
     ( resid 98 and name HZ3 )
     6.0 0.1 0.1 peak 1488 volume 0.000e+00 ppm1 6.659 ppm2 6.839
ASSI ( resid 72 and name HH2 )
     ( resid 72 and name HZ2 )
     6.0 0.1 0.1 peak 1493 volume 0.000e+00 ppm1 6.949 ppm2 7.445
ASSI ( resid 90 and name HB3 )
     ( resid 90 and name hd# )
     6.0 0.1 0.1 peak 1498 volume 0.000e+00 ppm1 2.968 ppm2 7.196
ASSI ( resid 90 and name HB2 )
     ( resid 90 and name hd# )
     6.0 0.1 0.1 peak 1499 volume 0.000e+00 ppm1 3.167 ppm2 7.197
ASSI ( resid 90 and name HB2 )
     ( resid 90 and name he# )
     6.0 0.1 0.1 peak 1501 volume 0.000e+00 ppm1 3.166 ppm2 6.868
ASSI ( resid 90 and name HA )
     ( resid 90 and name hd# )
     6.0 0.1 0.1 peak 1503 volume 0.000e+00 ppm1 4.665 ppm2 7.197
ASSI ( resid 97 and name hg2# )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1505 volume 3.300e+02 ppm1 -0.525 ppm2 10.289
ASSI ( resid 63 and name hd2# )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1506 volume 4.043e+03 ppm1 -0.189 ppm2 9.980
ASSI ( resid 97 and name HA )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 1507 volume 0.000e+00 ppm1 4.418 ppm2 -0.531
ASSI ( resid 97 and name hd1# )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 1508 volume 0.000e+00 ppm1 1.016 ppm2 -0.535
ASSI ( resid 97 and name hg1# )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 1509 volume 0.000e+00 ppm1 0.415 ppm2 -0.535
ASSI ( resid 59 and name HB3 )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 1514 volume 0.000e+00 ppm1 2.511 ppm2 8.843
ASSI ( resid 59 and name HB2 )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 1515 volume 0.000e+00 ppm1 2.704 ppm2 8.842
ASSI ( resid 97 and name hg2# )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 1516 volume 0.000e+00 ppm1 -0.528 ppm2 8.740
ASSI ( resid 112 and name hd1# )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1518 volume 0.000e+00 ppm1 0.500 ppm2 9.826
ASSI ( resid 112 and name hd2# )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1519 volume 0.000e+00 ppm1 0.446 ppm2 9.826
ASSI ( resid 48 and name hb# )
     ( resid 98 and name HE1 )
     6.0 0.1 0.1 peak 1522 volume 2.114e+03 ppm1 -0.036 ppm2 10.596
ASSI ( resid 100 and name hd1# )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1527 volume 8.290e+02 ppm1 0.126 ppm2 9.827
ASSI ( resid 63 and name hd1# )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1528 volume 1.554e+03 ppm1 0.268 ppm2 9.503
ASSI ( resid 63 and name hd2# )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1529 volume 4.473e+04 ppm1 -0.189 ppm2 9.503
ASSI ( resid 48 and name hb# )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 1530 volume 1.551e+03 ppm1 -0.035 ppm2 9.301
ASSI ( resid 46 and name HG )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 1533 volume 0.000e+00 ppm1 0.847 ppm2 9.162
ASSI ( resid 46 and name hd1# )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 1534 volume 0.000e+00 ppm1 -0.111 ppm2 9.164
ASSI ( resid 46 and name hd2# )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 1535 volume 0.000e+00 ppm1 -0.315 ppm2 9.164
ASSI ( resid 97 and name hg2# )
     ( resid 98 and name HN )
     6.0 0.1 0.1 peak 1536 volume 2.250e+02 ppm1 -0.532 ppm2 9.216
ASSI ( resid 48 and name hb# )
     ( resid 113 and name HN )
     6.0 0.1 0.1 peak 1539 volume 9.560e+02 ppm1 -0.030 ppm2 8.494
ASSI ( resid 97 and name hg2# )
     ( resid 72 and name HZ2 )
     6.0 0.1 0.1 peak 1546 volume 3.361e+03 ppm1 -0.534 ppm2 7.446
ASSI ( resid 46 and name hd2# )
     ( resid 96 and name HZ2 )
     6.0 0.1 0.1 peak 1547 volume 1.185e+03 ppm1 -0.315 ppm2 7.421
ASSI ( resid 46 and name hd1# )
     ( resid 96 and name HZ2 )
     6.0 0.1 0.1 peak 1548 volume 5.540e+02 ppm1 -0.114 ppm2 7.421
ASSI ( resid 97 and name hg2# )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 1550 volume 3.550e+02 ppm1 -0.532 ppm2 7.234
ASSI ( resid 63 and name hd2# )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1552 volume 1.886e+04 ppm1 -0.188 ppm2 7.269
ASSI ( resid 63 and name hd2# )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 1554 volume 3.454e+03 ppm1 -0.188 ppm2 7.319
ASSI ( resid 48 and name hb# )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1555 volume 5.183e+03 ppm1 -0.034 ppm2 7.269
ASSI ( resid 48 and name hb# )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 1556 volume 1.877e+04 ppm1 -0.035 ppm2 7.190
ASSI ( resid 97 and name hg2# )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 1559 volume 5.870e+02 ppm1 -0.536 ppm2 7.003
ASSI ( resid 97 and name hg2# )
     ( resid 72 and name HH2 )
     6.0 0.1 0.1 peak 1560 volume 2.456e+03 ppm1 -0.536 ppm2 6.945
ASSI ( resid 97 and name hg2# )
     ( resid 72 and name HZ3 )
     6.0 0.1 0.1 peak 1561 volume 7.890e+02 ppm1 -0.540 ppm2 6.704
ASSI ( resid 46 and name hd2# )
     ( resid 96 and name HH2 )
     6.0 0.1 0.1 peak 1562 volume 1.139e+03 ppm1 -0.315 ppm2 7.035
ASSI ( resid 63 and name hd2# )
     ( resid 98 and name HZ3 )
     6.0 0.1 0.1 peak 1564 volume 1.871e+03 ppm1 -0.190 ppm2 6.837
ASSI ( resid 48 and name hb# )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 1566 volume 2.121e+03 ppm1 -0.036 ppm2 6.835
ASSI ( resid 63 and name hd2# )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 1568 volume 1.029e+03 ppm1 -0.190 ppm2 6.658
ASSI ( resid 46 and name hd1# )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 1569 volume 1.464e+03 ppm1 -0.115 ppm2 6.657
ASSI ( resid 48 and name hb# )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 1570 volume 2.052e+04 ppm1 -0.035 ppm2 6.657
ASSI ( resid 100 and name hd1# )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1571 volume 3.225e+03 ppm1 0.120 ppm2 6.497
ASSI ( resid 100 and name hd1# )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 1572 volume 5.071e+03 ppm1 0.121 ppm2 6.312
ASSI ( resid 67 and name hg2# )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 1573 volume 3.470e+02 ppm1 -0.019 ppm2 6.197
ASSI ( resid 67 and name hg1# )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 1574 volume 3.490e+02 ppm1 0.043 ppm2 6.196
ASSI ( resid 63 and name hd1# )
     ( resid 98 and name HZ3 )
     6.0 0.1 0.1 peak 1575 volume 4.997e+03 ppm1 0.267 ppm2 6.839
ASSI ( resid 63 and name hd1# )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 1578 volume 1.301e+03 ppm1 0.265 ppm2 6.657
ASSI ( resid 97 and name hg1# )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1581 volume 1.596e+03 ppm1 0.419 ppm2 9.977
ASSI ( attr store1 < 0.482 and attr store1 > 0.442 )
     ( attr store1 < 9.927 and attr store1 > 9.887 )
     6.0 0.1 0.1 peak 1582 volume 3.250e+02 ppm1 0.462 ppm2 9.907
ASSI ( attr store1 < 0.578 and attr store1 > 0.538 )
     ( attr store1 < 9.996 and attr store1 > 9.956 )
     6.0 0.1 0.1 peak 1583 volume 5.390e+02 ppm1 0.558 ppm2 9.976
ASSI ( resid 62 and name hg2# )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1584 volume 3.070e+02 ppm1 0.692 ppm2 9.981
ASSI ( resid 61 and name hd2# )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 1585 volume 1.043e+04 ppm1 0.590 ppm2 9.903
ASSI ( resid 61 and name hd2# )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1586 volume 1.189e+03 ppm1 0.591 ppm2 9.782
ASSI ( resid 112 and name hd2# )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1588 volume 3.960e+02 ppm1 0.447 ppm2 9.579
ASSI ( resid 112 and name hd1# )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1589 volume 4.650e+02 ppm1 0.497 ppm2 9.576
ASSI ( resid 97 and name hg1# )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1590 volume 3.570e+02 ppm1 0.417 ppm2 9.503
ASSI ( attr store1 < 0.614 and attr store1 > 0.574 )
     ( attr store1 < 9.314 and attr store1 > 9.274 )
     6.0 0.1 0.1 peak 1594 volume 1.259e+03 ppm1 0.594 ppm2 9.294
ASSI ( resid 97 and name hg1# )
     ( resid 98 and name HN )
     6.0 0.1 0.1 peak 1595 volume 2.518e+03 ppm1 0.420 ppm2 9.211
ASSI ( resid 62 and name hg2# )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 1596 volume 0.000e+00 ppm1 0.702 ppm2 9.372
ASSI ( resid 18 and name hg2# )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 1597 volume 0.000e+00 ppm1 0.749 ppm2 9.306
ASSI ( resid 114 and name hb# )
     ( resid 98 and name HE1 )
     6.0 0.1 0.1 peak 1598 volume 1.572e+03 ppm1 1.139 ppm2 10.601
ASSI ( resid 131 and name hg2# )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1601 weight 0.100e+02 volume 1.710e+02 ppm1 0.739 ppm2 10.287
ASSI ( resid 112 and name HB2 )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1607 volume 6.860e+02 ppm1 2.119 ppm2 9.577
ASSI ( resid 61 and name HG )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 1608 volume 1.231e+03 ppm1 1.105 ppm2 9.903
ASSI ( attr store1 < 1.355 and attr store1 > 1.315 )
     ( attr store1 < 9.925 and attr store1 > 9.885 )
     6.0 0.1 0.1 peak 1609 volume 2.830e+02 ppm1 1.335 ppm2 9.905
ASSI ( resid 100 and name HB )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1610 volume 5.270e+02 ppm1 1.347 ppm2 9.979
ASSI ( resid 60 and name hg2# )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1611 volume 4.072e+03 ppm1 1.256 ppm2 9.783
ASSI ( attr store1 < 1.551 and attr store1 > 1.511 )
     ( attr store1 < 9.803 and attr store1 > 9.763 )
     6.0 0.1 0.1 peak 1612 volume 2.326e+03 ppm1 1.531 ppm2 9.783
ASSI ( attr store1 < 1.632 and attr store1 > 1.592 )
     ( attr store1 < 9.803 and attr store1 > 9.763 )
     6.0 0.1 0.1 peak 1613 volume 1.543e+03 ppm1 1.612 ppm2 9.783
ASSI ( attr store1 < 1.299 and attr store1 > 1.259 )
     ( attr store1 < 9.596 and attr store1 > 9.556 )
     6.0 0.1 0.1 peak 1614 volume 1.578e+03 ppm1 1.279 ppm2 9.576
ASSI ( resid 63 and name HB3 )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1615 volume 4.710e+02 ppm1 1.326 ppm2 9.504
ASSI ( resid 97 and name hd1# )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1616 volume 6.710e+02 ppm1 1.017 ppm2 9.505
ASSI ( resid 100 and name hd1# )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 1624 volume 3.360e+02 ppm1 0.121 ppm2 8.897
ASSI ( resid 100 and name hd1# )
     ( resid 31 and name HN )
     6.0 0.1 0.1 peak 1625 volume 9.160e+02 ppm1 0.119 ppm2 8.862
ASSI ( resid 63 and name hd1# )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 1626 volume 3.400e+02 ppm1 0.270 ppm2 8.869
ASSI ( attr store1 < 0.139 and attr store1 > 0.099 )
     ( attr store1 < 8.667 and attr store1 > 8.627 )
     6.0 0.1 0.1 peak 1627 volume 3.140e+02 ppm1 0.119 ppm2 8.647
ASSI ( resid 46 and name hd1# )
     ( resid 96 and name HH2 )
     6.0 0.1 0.1 peak 1629 volume 2.880e+02 ppm1 -0.112 ppm2 7.037
ASSI ( attr store1 < -0.016 and attr store1 > -0.056 )
     ( attr store1 < 6.742 and attr store1 > 6.702 )
     6.0 0.1 0.1 peak 1631 volume 2.260e+02 ppm1 -0.036 ppm2 6.722
ASSI ( resid 48 and name hb# )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 1633 volume 3.910e+02 ppm1 -0.035 ppm2 6.570
ASSI ( resid 49 and name hg2# )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 1635 volume 1.486e+03 ppm1 0.474 ppm2 7.616
ASSI ( resid 75 and name hg2# )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 1637 volume 0.000e+00 ppm1 0.533 ppm2 7.465
ASSI ( resid 63 and name hd1# )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 1638 volume 1.279e+03 ppm1 0.267 ppm2 7.319
ASSI ( resid 63 and name hd1# )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1639 volume 1.365e+03 ppm1 0.267 ppm2 7.269
ASSI ( resid 33 and name hg2# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 1641 volume 1.604e+03 ppm1 0.190 ppm2 7.138
ASSI ( resid 21 and name HB3 )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1645 volume 3.023e+03 ppm1 2.879 ppm2 9.826
ASSI ( attr store1 < 3.035 and attr store1 > 2.995 )
     ( attr store1 < 9.843 and attr store1 > 9.803 )
     6.0 0.1 0.1 peak 1646 volume 1.510e+02 ppm1 3.015 ppm2 9.823
ASSI ( resid 21 and name HB2 )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1648 volume 1.340e+03 ppm1 3.257 ppm2 9.824
ASSI ( attr store1 < 3.257 and attr store1 > 3.217 )
     ( attr store1 < 9.801 and attr store1 > 9.761 )
     6.0 0.1 0.1 peak 1649 volume 2.930e+02 ppm1 3.237 ppm2 9.781
ASSI ( resid 83 and name HD3 )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1650 volume 0.000e+00 ppm1 3.767 ppm2 9.297
ASSI ( resid 111 and name HB2 )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1651 volume 0.000e+00 ppm1 3.662 ppm2 9.274
ASSI ( attr store1 < 3.722 and attr store1 > 3.682 )
     ( attr store1 < 9.266 and attr store1 > 9.226 )
     6.0 0.1 0.1 peak 1652 volume 2.730e+02 ppm1 3.702 ppm2 9.246
ASSI ( attr store1 < 3.584 and attr store1 > 3.544 )
     ( attr store1 < 9.279 and attr store1 > 9.239 )
     6.0 0.1 0.1 peak 1653 volume 5.830e+02 ppm1 3.564 ppm2 9.259
ASSI ( resid 80 and name HA )
     ( resid 81 and name HN )
     6.0 0.1 0.1 peak 1654 volume 0.000e+00 ppm1 3.587 ppm2 9.071
ASSI ( resid 60 and name HB )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 1655 volume 1.046e+03 ppm1 3.616 ppm2 8.898
ASSI ( resid 29 and name HA2 )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 1657 volume 3.380e+02 ppm1 3.553 ppm2 8.746
ASSI ( resid 111 and name HB2 )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1659 volume 1.115e+03 ppm1 3.664 ppm2 7.289
ASSI ( resid 71 and name HA2 )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 1661 volume 1.508e+03 ppm1 3.610 ppm2 7.237
ASSI ( resid 108 and name HB3 )
     ( resid 54 and name HD22 )
     6.0 0.1 0.1 peak 1662 volume 1.897e+03 ppm1 3.568 ppm2 7.002
ASSI ( resid 108 and name HB2 )
     ( resid 54 and name HD22 )
     6.0 0.1 0.1 peak 1663 volume 9.050e+02 ppm1 3.711 ppm2 7.002
ASSI ( resid 108 and name HB3 )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 1667 volume 1.310e+03 ppm1 3.564 ppm2 7.456
ASSI ( resid 108 and name HB2 )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 1669 volume 8.630e+02 ppm1 3.710 ppm2 7.454
ASSI ( resid 57 and name HA )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 1671 volume 4.820e+02 ppm1 4.030 ppm2 7.454
ASSI ( resid 83 and name HD2 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 1673 volume 0.000e+00 ppm1 3.992 ppm2 7.618
ASSI ( resid 83 and name HD3 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 1674 volume 0.000e+00 ppm1 3.768 ppm2 7.616
ASSI ( resid 80 and name HA )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 1675 volume 1.283e+03 ppm1 3.586 ppm2 7.616
ASSI ( resid 69 and name HA2 )
     ( resid 71 and name HN )
     6.0 0.1 0.1 peak 1676 volume 0.000e+00 ppm1 3.502 ppm2 7.727
ASSI ( resid 69 and name HA1 )
     ( resid 71 and name HN )
     6.0 0.1 0.1 peak 1677 volume 0.000e+00 ppm1 3.943 ppm2 7.728
ASSI ( attr store1 < 3.436 and attr store1 > 3.396 )
     ( attr store1 < 7.354 and attr store1 > 7.314 )
     6.0 0.1 0.1 peak 1681 volume 3.160e+02 ppm1 3.416 ppm2 7.334
ASSI ( attr store1 < 3.814 and attr store1 > 3.774 )
     ( attr store1 < 7.016 and attr store1 > 6.976 )
     6.0 0.1 0.1 peak 1683 volume 0.000e+00 ppm1 3.794 ppm2 6.996
ASSI ( resid 108 and name HB2 )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1684 volume 3.290e+02 ppm1 3.708 ppm2 7.082
ASSI ( resid 108 and name HB3 )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1686 volume 7.840e+02 ppm1 3.559 ppm2 7.082
ASSI ( resid 27 and name HA2 )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1687 volume 1.059e+03 ppm1 3.411 ppm2 7.082
ASSI ( resid 57 and name HA )
     ( resid 54 and name HD22 )
     6.0 0.1 0.1 peak 1695 volume 1.173e+03 ppm1 4.030 ppm2 7.003
ASSI ( resid 21 and name HB2 )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 1699 volume 0.000e+00 ppm1 3.259 ppm2 6.313
ASSI ( resid 21 and name HB2 )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1701 volume 0.000e+00 ppm1 3.260 ppm2 6.499
ASSI ( attr store1 < 3.279 and attr store1 > 3.239 )
     ( attr store1 < 6.683 and attr store1 > 6.643 )
     6.0 0.1 0.1 peak 1703 volume 4.140e+02 ppm1 3.259 ppm2 6.663
ASSI ( resid 108 and name HB3 )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1705 volume 5.360e+02 ppm1 3.562 ppm2 6.572
ASSI ( resid 27 and name HA1 )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1706 volume 1.361e+03 ppm1 3.638 ppm2 6.571
ASSI ( attr store1 < 3.787 and attr store1 > 3.747 )
     ( attr store1 < 6.59 and attr store1 > 6.55 )
     6.0 0.1 0.1 peak 1707 volume 8.470e+02 ppm1 3.767 ppm2 6.570
ASSI ( attr store1 < 3.581 and attr store1 > 3.541 )
     ( attr store1 < 6.519 and attr store1 > 6.479 )
     6.0 0.1 0.1 peak 1708 volume 6.540e+02 ppm1 3.561 ppm2 6.499
ASSI ( resid 111 and name HB2 )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1709 volume 4.857e+03 ppm1 3.665 ppm2 6.499
ASSI ( resid 23 and name HA2 )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 1715 volume 2.680e+04 ppm1 3.791 ppm2 6.310
ASSI ( resid 69 and name HA1 )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 1717 weight 0.100e+02 volume 3.480e+02 ppm1 3.945 ppm2 6.196
ASSI ( resid 71 and name HA2 )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 1718 weight 0.100e+02 volume 3.210e+02 ppm1 3.602 ppm2 6.198
ASSI ( resid 69 and name HA2 )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 1719 weight 0.100e+02 volume 3.880e+02 ppm1 3.501 ppm2 6.195
ASSI ( attr store1 < 3.577 and attr store1 > 3.537 )
     ( attr store1 < 6.331 and attr store1 > 6.291 )
     6.0 0.1 0.1 peak 1720 volume 1.630e+02 ppm1 3.557 ppm2 6.311
ASSI ( attr store1 < 4.012 and attr store1 > 3.972 )
     ( attr store1 < 6.626 and attr store1 > 6.586 )
     6.0 0.1 0.1 peak 1722 volume 1.910e+02 ppm1 3.992 ppm2 6.606
ASSI ( resid 31 and name HA )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 1725 weight 0.100e+02 volume 1.649e+03 ppm1 4.298 ppm2 7.236
ASSI ( resid 104 and name hb# )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1728 volume 1.106e+03 ppm1 4.171 ppm2 7.083
ASSI ( resid 107 and name HA )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 1730 volume 2.377e+03 ppm1 4.360 ppm2 7.081
ASSI ( resid 31 and name HA )
     ( resid 131 and name HN )
     6.0 0.1 0.1 peak 1734 volume 5.486e+03 ppm1 4.298 ppm2 6.866
ASSI ( resid 104 and name hb# )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1737 volume 6.730e+02 ppm1 4.176 ppm2 6.573
ASSI ( resid 107 and name HA )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1738 volume 2.196e+03 ppm1 4.361 ppm2 6.571
ASSI ( attr store1 < 4.446 and attr store1 > 4.406 )
     ( attr store1 < 7.026 and attr store1 > 6.986 )
     6.0 0.1 0.1 peak 1739 volume 3.290e+02 ppm1 4.426 ppm2 7.006
ASSI ( attr store1 < 4.274 and attr store1 > 4.234 )
     ( attr store1 < 7.473 and attr store1 > 7.433 )
     6.0 0.1 0.1 peak 1741 volume 9.580e+02 ppm1 4.254 ppm2 7.453
ASSI ( resid 72 and name HA )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 1742 volume 0.000e+00 ppm1 4.544 ppm2 7.234
ASSI ( attr store1 < 4.565 and attr store1 > 4.525 )
     ( attr store1 < 7.212 and attr store1 > 7.172 )
     6.0 0.1 0.1 peak 1743 volume 0.000e+00 ppm1 4.545 ppm2 7.192
ASSI ( attr store1 < 4.503 and attr store1 > 4.463 )
     ( attr store1 < 7.214 and attr store1 > 7.174 )
     6.0 0.1 0.1 peak 1744 volume 0.000e+00 ppm1 4.483 ppm2 7.194
ASSI ( resid 72 and name HA )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 1747 volume 0.000e+00 ppm1 4.542 ppm2 7.005
ASSI ( attr store1 < 4.528 and attr store1 > 4.488 )
     ( attr store1 < 6.87 and attr store1 > 6.83 )
     6.0 0.1 0.1 peak 1749 volume 2.752e+03 ppm1 4.508 ppm2 6.850
ASSI ( resid 84 and name HA )
     ( resid 78 and name HD21 )
     6.0 0.1 0.1 peak 1752 volume 0.000e+00 ppm1 4.499 ppm2 6.656
ASSI ( resid 84 and name HA )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 1753 volume 0.000e+00 ppm1 4.497 ppm2 6.605
ASSI ( attr store1 < 4.507 and attr store1 > 4.467 )
     ( attr store1 < 6.747 and attr store1 > 6.707 )
     6.0 0.1 0.1 peak 1755 volume 1.968e+03 ppm1 4.487 ppm2 6.727
ASSI ( resid 112 and name HA )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 1757 volume 6.600e+02 ppm1 5.115 ppm2 7.136
ASSI ( resid 63 and name HA )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1758 volume 0.000e+00 ppm1 4.969 ppm2 7.267
ASSI ( resid 111 and name HA )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 1759 volume 1.472e+03 ppm1 5.134 ppm2 7.050
ASSI ( resid 108 and name HA )
     ( resid 54 and name HD22 )
     6.0 0.1 0.1 peak 1761 volume 1.315e+03 ppm1 4.905 ppm2 7.001
ASSI ( resid 63 and name HA )
     ( resid 98 and name HZ3 )
     6.0 0.1 0.1 peak 1763 volume 4.840e+02 ppm1 4.960 ppm2 6.838
ASSI ( resid 112 and name HA )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1765 volume 2.909e+03 ppm1 5.110 ppm2 7.288
ASSI ( attr store1 < 5.276 and attr store1 > 5.236 )
     ( attr store1 < 7.343 and attr store1 > 7.303 )
     6.0 0.1 0.1 peak 1766 volume 7.500e+02 ppm1 5.256 ppm2 7.323
ASSI ( resid 98 and name HA )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 1767 volume 0.000e+00 ppm1 5.213 ppm2 7.268
ASSI ( resid 109 and name HA )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 1770 volume 6.050e+02 ppm1 5.287 ppm2 7.050
ASSI ( resid 59 and name HA )
     ( resid 103 and name HD21 )
     6.0 0.1 0.1 peak 1772 volume 1.401e+03 ppm1 5.440 ppm2 7.107
ASSI ( resid 20 and name HA )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 1773 volume 1.598e+03 ppm1 5.606 ppm2 7.137
ASSI ( resid 96 and name HA )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 1775 volume 0.000e+00 ppm1 5.741 ppm2 7.321
ASSI ( resid 96 and name HA )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 1777 volume 5.020e+02 ppm1 5.742 ppm2 7.007
ASSI ( resid 96 and name HA )
     ( resid 72 and name HH2 )
     6.0 0.1 0.1 peak 1778 volume 4.940e+02 ppm1 5.743 ppm2 6.947
ASSI ( resid 85 and name HA )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 1782 volume 1.498e+03 ppm1 5.438 ppm2 6.836
ASSI ( resid 96 and name HA )
     ( resid 72 and name HZ3 )
     6.0 0.1 0.1 peak 1784 volume 2.278e+03 ppm1 5.743 ppm2 6.704
ASSI ( resid 66 and name HD22 )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1785 volume 5.770e+02 ppm1 6.198 ppm2 10.289
ASSI ( resid 110 and name he# )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1786 volume 7.175e+03 ppm1 6.317 ppm2 9.826
ASSI ( resid 110 and name hd# )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1787 volume 1.908e+04 ppm1 6.503 ppm2 9.825
ASSI ( resid 72 and name HH2 )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1791 volume 0.000e+00 ppm1 6.945 ppm2 10.289
ASSI ( resid 23 and name HN )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1792 volume 2.830e+02 ppm1 7.059 ppm2 9.826
ASSI ( resid 21 and name hd# )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1793 volume 6.340e+03 ppm1 7.136 ppm2 9.826
ASSI ( resid 96 and name HZ2 )
     ( resid 96 and name HE1 )
     6.0 0.1 0.1 peak 1795 volume 0.000e+00 ppm1 7.416 ppm2 10.416
ASSI ( resid 98 and name HE3 )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1796 volume 0.000e+00 ppm1 7.263 ppm2 9.980
ASSI ( attr store1 < 7.293 and attr store1 > 7.253 )
     ( attr store1 < 9.921 and attr store1 > 9.881 )
     6.0 0.1 0.1 peak 1798 volume 2.140e+02 ppm1 7.273 ppm2 9.901
ASSI ( resid 72 and name HN )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1800 volume 0.000e+00 ppm1 8.175 ppm2 10.294
ASSI ( attr store1 < 8.778 and attr store1 > 8.738 )
     ( attr store1 < 9.802 and attr store1 > 9.762 )
     6.0 0.1 0.1 peak 1801 volume 3.230e+02 ppm1 8.758 ppm2 9.782
ASSI ( resid 61 and name HN )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1802 volume 1.769e+03 ppm1 9.064 ppm2 9.782
ASSI ( resid 101 and name HN )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 1803 volume 2.560e+02 ppm1 8.897 ppm2 9.903
ASSI ( attr store1 < 5.703 and attr store1 > 5.663 )
     ( attr store1 < 9.921 and attr store1 > 9.881 )
     6.0 0.1 0.1 peak 1805 volume 2.250e+02 ppm1 5.683 ppm2 9.901
ASSI ( resid 20 and name HA )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1806 volume 5.850e+02 ppm1 5.616 ppm2 9.825
ASSI ( resid 96 and name HA )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1809 volume 4.680e+02 ppm1 5.736 ppm2 9.499
ASSI ( attr store1 < 5.049 and attr store1 > 5.009 )
     ( attr store1 < 10.001 and attr store1 > 9.961 )
     6.0 0.1 0.1 peak 1810 volume 4.530e+02 ppm1 5.029 ppm2 9.981
ASSI ( resid 63 and name HA )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 1811 volume 2.381e+03 ppm1 4.960 ppm2 9.980
ASSI ( resid 111 and name HA )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1814 weight 0.100e+02 volume 4.820e+02 ppm1 5.132 ppm2 9.574
ASSI ( resid 30 and name HA )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 1815 volume 7.390e+02 ppm1 5.690 ppm2 9.375
ASSI ( resid 110 and name HA )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1817 volume 0.000e+00 ppm1 5.463 ppm2 9.270
ASSI ( attr store1 < 5.635 and attr store1 > 5.595 )
     ( attr store1 < 9.229 and attr store1 > 9.189 )
     6.0 0.1 0.1 peak 1818 volume 3.990e+02 ppm1 5.615 ppm2 9.209
ASSI ( resid 113 and name HA )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 1819 volume 6.370e+02 ppm1 5.617 ppm2 9.143
ASSI ( resid 32 and name HA )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 1820 volume 0.000e+00 ppm1 5.631 ppm2 9.073
ASSI ( attr store1 < 5.468 and attr store1 > 5.428 )
     ( attr store1 < 9.154 and attr store1 > 9.114 )
     6.0 0.1 0.1 peak 1821 volume 2.210e+02 ppm1 5.448 ppm2 9.134
ASSI ( resid 59 and name HA )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 1822 volume 3.738e+03 ppm1 5.438 ppm2 9.067
ASSI ( resid 47 and name HA )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 1824 volume 1.338e+03 ppm1 5.585 ppm2 8.867
ASSI ( resid 96 and name HA )
     ( resid 96 and name HN )
     6.0 0.1 0.1 peak 1826 volume 0.000e+00 ppm1 5.742 ppm2 8.274
ASSI ( attr store1 < 5.605 and attr store1 > 5.565 )
     ( attr store1 < 8.201 and attr store1 > 8.161 )
     6.0 0.1 0.1 peak 1827 volume 0.000e+00 ppm1 5.585 ppm2 8.181
ASSI ( resid 109 and name HA )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 1833 volume 4.750e+02 ppm1 5.280 ppm2 8.392
ASSI ( attr store1 < 5.288 and attr store1 > 5.248 )
     ( attr store1 < 8.029 and attr store1 > 7.989 )
     6.0 0.1 0.1 peak 1835 volume 2.130e+02 ppm1 5.268 ppm2 8.009
ASSI ( resid 72 and name HB3 )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1836 volume 0.000e+00 ppm1 2.828 ppm2 10.289
ASSI ( resid 72 and name HB2 )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 1837 volume 0.000e+00 ppm1 2.903 ppm2 10.289
ASSI ( attr store1 < 4.497 and attr store1 > 4.457 )
     ( attr store1 < 9.999 and attr store1 > 9.959 )
     6.0 0.1 0.1 peak 1840 volume 1.460e+02 ppm1 4.477 ppm2 9.979
ASSI ( attr store1 < 6.34 and attr store1 > 6.3 )
     ( attr store1 < 9.589 and attr store1 > 9.549 )
     6.0 0.1 0.1 peak 1845 volume 4.930e+02 ppm1 6.320 ppm2 9.569
ASSI ( attr store1 < 6.53 and attr store1 > 6.49 )
     ( attr store1 < 9.591 and attr store1 > 9.551 )
     6.0 0.1 0.1 peak 1846 volume 1.560e+02 ppm1 6.510 ppm2 9.571
ASSI ( resid 50 and name HA )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1847 volume 2.770e+02 ppm1 4.781 ppm2 9.823
ASSI ( resid 61 and name hb# )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1852 volume 2.123e+03 ppm1 1.862 ppm2 9.782
ASSI ( attr store1 < 1.67 and attr store1 > 1.63 )
     ( attr store1 < 9.527 and attr store1 > 9.487 )
     6.0 0.1 0.1 peak 1856 volume 1.480e+02 ppm1 1.650 ppm2 9.507
ASSI ( resid 61 and name hd1# )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1860 volume 2.976e+03 ppm1 0.904 ppm2 9.782
ASSI ( resid 112 and name HG )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1861 volume 0.000e+00 ppm1 1.083 ppm2 9.825
ASSI ( attr store1 < 1.101 and attr store1 > 1.061 )
     ( attr store1 < 9.595 and attr store1 > 9.555 )
     6.0 0.1 0.1 peak 1862 volume 6.341e+03 ppm1 1.081 ppm2 9.575
ASSI ( resid 112 and name HB3 )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1863 volume 6.590e+02 ppm1 1.137 ppm2 9.577
ASSI ( attr store1 < 0.495 and attr store1 > 0.455 )
     ( attr store1 < 9.309 and attr store1 > 9.269 )
     6.0 0.1 0.1 peak 1867 volume 4.717e+03 ppm1 0.475 ppm2 9.289
ASSI ( attr store1 < 0.94 and attr store1 > 0.9 )
     ( attr store1 < 9.393 and attr store1 > 9.353 )
     6.0 0.1 0.1 peak 1868 volume 0.000e+00 ppm1 0.920 ppm2 9.373
ASSI ( attr store1 < 0.692 and attr store1 > 0.652 )
     ( attr store1 < 9.166 and attr store1 > 9.126 )
     6.0 0.1 0.1 peak 1869 volume 3.450e+03 ppm1 0.672 ppm2 9.146
ASSI ( resid 18 and name hg2# )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 1870 volume 0.000e+00 ppm1 0.743 ppm2 9.142
ASSI ( attr store1 < 0.489 and attr store1 > 0.449 )
     ( attr store1 < 9.089 and attr store1 > 9.049 )
     6.0 0.1 0.1 peak 1871 volume 4.555e+03 ppm1 0.469 ppm2 9.069
ASSI ( resid 97 and name hg1# )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 1872 volume 2.164e+03 ppm1 0.424 ppm2 9.073
ASSI ( resid 64 and name hd1# )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 1875 volume 1.469e+04 ppm1 0.667 ppm2 8.933
ASSI ( resid 100 and name hg2# )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 1878 volume 2.901e+04 ppm1 0.459 ppm2 8.896
ASSI ( attr store1 < 1.076 and attr store1 > 1.036 )
     ( attr store1 < 9.158 and attr store1 > 9.118 )
     6.0 0.1 0.1 peak 1880 volume 1.697e+03 ppm1 1.056 ppm2 9.138
ASSI ( resid 116 and name hg1# )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 1881 volume 0.000e+00 ppm1 1.183 ppm2 9.135
ASSI ( resid 60 and name hg2# )
     ( resid 61 and name HN )
     6.0 0.1 0.1 peak 1882 volume 0.000e+00 ppm1 1.247 ppm2 9.065
ASSI ( resid 19 and name hb# )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 1884 volume 1.144e+03 ppm1 1.285 ppm2 9.303
ASSI ( attr store1 < 1.275 and attr store1 > 1.235 )
     ( attr store1 < 9.232 and attr store1 > 9.192 )
     6.0 0.1 0.1 peak 1886 volume 3.630e+02 ppm1 1.255 ppm2 9.212
ASSI ( resid 49 and name HB )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1888 volume 1.550e+03 ppm1 1.587 ppm2 9.295
ASSI ( attr store1 < 1.591 and attr store1 > 1.551 )
     ( attr store1 < 9.394 and attr store1 > 9.354 )
     6.0 0.1 0.1 peak 1889 volume 5.660e+02 ppm1 1.571 ppm2 9.374
ASSI ( attr store1 < 1.706 and attr store1 > 1.666 )
     ( attr store1 < 9.087 and attr store1 > 9.047 )
     6.0 0.1 0.1 peak 1891 volume 1.498e+03 ppm1 1.686 ppm2 9.067
ASSI ( resid 80 and name HB )
     ( resid 81 and name HN )
     6.0 0.1 0.1 peak 1892 volume 1.373e+03 ppm1 1.756 ppm2 9.071
ASSI ( attr store1 < 1.886 and attr store1 > 1.846 )
     ( attr store1 < 9.171 and attr store1 > 9.131 )
     6.0 0.1 0.1 peak 1893 volume 1.667e+03 ppm1 1.866 ppm2 9.151
ASSI ( attr store1 < 1.987 and attr store1 > 1.947 )
     ( attr store1 < 9.088 and attr store1 > 9.048 )
     6.0 0.1 0.1 peak 1895 volume 1.743e+03 ppm1 1.967 ppm2 9.068
ASSI ( resid 64 and name HG )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 1900 volume 1.664e+04 ppm1 1.428 ppm2 8.931
ASSI ( attr store1 < 2.186 and attr store1 > 2.146 )
     ( attr store1 < 9.17 and attr store1 > 9.13 )
     6.0 0.1 0.1 peak 1905 volume 8.890e+02 ppm1 2.166 ppm2 9.150
ASSI ( resid 45 and name HB2 )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 1906 volume 0.000e+00 ppm1 2.093 ppm2 9.162
ASSI ( resid 59 and name he# )
     ( resid 58 and name HN )
     6.0 0.1 0.1 peak 1907 volume 0.000e+00 ppm1 2.068 ppm2 9.076
ASSI ( resid 116 and name HB )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 1910 volume 0.000e+00 ppm1 2.501 ppm2 9.135
ASSI ( attr store1 < 2.122 and attr store1 > 2.082 )
     ( attr store1 < 8.878 and attr store1 > 8.838 )
     6.0 0.1 0.1 peak 1912 volume 8.670e+02 ppm1 2.102 ppm2 8.858
ASSI ( attr store1 < 2.186 and attr store1 > 2.146 )
     ( attr store1 < 8.877 and attr store1 > 8.837 )
     6.0 0.1 0.1 peak 1913 volume 6.370e+02 ppm1 2.166 ppm2 8.857
ASSI ( attr store1 < 4.365 and attr store1 > 4.325 )
     ( attr store1 < 9.078 and attr store1 > 9.038 )
     6.0 0.1 0.1 peak 1918 volume 9.570e+02 ppm1 4.345 ppm2 9.058
ASSI ( resid 18 and name HA )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 1922 volume 0.000e+00 ppm1 4.617 ppm2 9.309
ASSI ( attr store1 < 4.963 and attr store1 > 4.923 )
     ( attr store1 < 9.282 and attr store1 > 9.242 )
     6.0 0.1 0.1 peak 1923 volume 0.000e+00 ppm1 4.943 ppm2 9.262
ASSI ( resid 116 and name HA )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 1924 volume 0.000e+00 ppm1 4.878 ppm2 9.135
ASSI ( attr store1 < 4.278 and attr store1 > 4.238 )
     ( attr store1 < 9.15 and attr store1 > 9.11 )
     6.0 0.1 0.1 peak 1927 volume 3.940e+02 ppm1 4.258 ppm2 9.130
ASSI ( resid 112 and name HA )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 1929 volume 5.967e+03 ppm1 5.111 ppm2 9.271
ASSI ( attr store1 < 5.274 and attr store1 > 5.234 )
     ( attr store1 < 9.094 and attr store1 > 9.054 )
     6.0 0.1 0.1 peak 1931 volume 0.000e+00 ppm1 5.254 ppm2 9.074
ASSI ( resid 111 and name HB3 )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 1933 volume 3.290e+02 ppm1 3.563 ppm2 7.289
ASSI ( resid 27 and name HA2 )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 1934 volume 9.510e+02 ppm1 3.411 ppm2 6.571
ASSI ( resid 71 and name HA1 )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 1935 volume 5.940e+02 ppm1 4.221 ppm2 7.235
ASSI ( attr store1 < 4.265 and attr store1 > 4.225 )
     ( attr store1 < 7.103 and attr store1 > 7.063 )
     6.0 0.1 0.1 peak 1936 volume 2.080e+02 ppm1 4.245 ppm2 7.083
ASSI ( resid 25 and name HA )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 1939 volume 1.972e+03 ppm1 4.674 ppm2 6.498
ASSI ( attr store1 < 5.306 and attr store1 > 5.266 )
     ( attr store1 < 7.022 and attr store1 > 6.982 )
     6.0 0.1 0.1 peak 1940 volume 7.590e+02 ppm1 5.286 ppm2 7.002
ASSI ( resid 85 and name HA )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 1941 volume 2.460e+02 ppm1 5.443 ppm2 6.657
ASSI ( resid 59 and name HA )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 1943 volume 8.440e+02 ppm1 5.442 ppm2 7.914
ASSI ( resid 85 and name HA )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 1944 volume 2.258e+03 ppm1 5.439 ppm2 8.014
ASSI ( resid 114 and name HA )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 1945 volume 1.117e+03 ppm1 5.284 ppm2 8.356
ASSI ( attr store1 < 4.622 and attr store1 > 4.582 )
     ( attr store1 < 10.002 and attr store1 > 9.962 )
     6.0 0.1 0.1 peak 1948 volume 1.690e+02 ppm1 4.602 ppm2 9.982
ASSI ( resid 22 and name HA )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1949 volume 1.375e+03 ppm1 4.953 ppm2 9.826
ASSI ( resid 22 and name HB )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 1950 volume 2.130e+02 ppm1 3.981 ppm2 9.825
ASSI ( resid 62 and name HA )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1951 volume 1.113e+03 ppm1 4.596 ppm2 9.784
ASSI ( resid 60 and name HA )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 1952 volume 5.770e+02 ppm1 4.678 ppm2 9.781
ASSI ( attr store1 < 1.277 and attr store1 > 1.237 )
     ( attr store1 < 9.925 and attr store1 > 9.885 )
     6.0 0.1 0.1 peak 1953 volume 1.254e+03 ppm1 1.257 ppm2 9.905
ASSI ( resid 99 and name hd# )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 1955 volume 1.437e+03 ppm1 1.261 ppm2 9.375
ASSI ( attr store1 < 1.678 and attr store1 > 1.638 )
     ( attr store1 < 9.17 and attr store1 > 9.13 )
     6.0 0.1 0.1 peak 1957 volume 4.600e+02 ppm1 1.658 ppm2 9.150
ASSI ( resid 31 and name HA )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 1960 volume 0.000e+00 ppm1 4.301 ppm2 9.336
ASSI ( resid 102 and name HB2 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 1961 volume 9.180e+02 ppm1 3.310 ppm2 8.427
ASSI ( resid 110 and name he# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 1962 volume 1.087e+03 ppm1 6.320 ppm2 9.253
ASSI ( resid 110 and name hd# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 1964 volume 1.598e+03 ppm1 6.503 ppm2 9.255
ASSI ( resid 21 and name he# )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 1966 volume 4.319e+03 ppm1 6.807 ppm2 9.579
ASSI ( attr store1 < 6.675 and attr store1 > 6.635 )
     ( attr store1 < 9.318 and attr store1 > 9.278 )
     6.0 0.1 0.1 peak 1970 volume 3.200e+02 ppm1 6.655 ppm2 9.298
ASSI ( resid 47 and name hd# )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1971 volume 6.270e+02 ppm1 6.831 ppm2 9.299
ASSI ( resid 21 and name hd# )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 1973 volume 2.930e+02 ppm1 7.136 ppm2 9.308
ASSI ( attr store1 < 7.292 and attr store1 > 7.252 )
     ( attr store1 < 9.521 and attr store1 > 9.481 )
     6.0 0.1 0.1 peak 1975 volume 2.310e+02 ppm1 7.272 ppm2 9.501
ASSI ( resid 51 and name HD2 )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 1976 volume 0.000e+00 ppm1 7.288 ppm2 9.133
ASSI ( resid 48 and name HN )
     ( resid 84 and name HN )
     6.0 0.1 0.1 peak 1979 volume 0.000e+00 ppm1 8.023 ppm2 9.299
ASSI ( attr store1 < 8.389 and attr store1 > 8.349 )
     ( attr store1 < 9.323 and attr store1 > 9.283 )
     6.0 0.1 0.1 peak 1980 volume 0.000e+00 ppm1 8.369 ppm2 9.303
ASSI ( attr store1 < 8.413 and attr store1 > 8.373 )
     ( attr store1 < 9.091 and attr store1 > 9.051 )
     6.0 0.1 0.1 peak 1982 volume 6.610e+02 ppm1 8.393 ppm2 9.071
ASSI ( attr store1 < 8.033 and attr store1 > 7.993 )
     ( attr store1 < 9.15 and attr store1 > 9.11 )
     6.0 0.1 0.1 peak 1983 volume 0.000e+00 ppm1 8.013 ppm2 9.130
ASSI ( attr store1 < 8.628 and attr store1 > 8.588 )
     ( attr store1 < 9.094 and attr store1 > 9.054 )
     6.0 0.1 0.1 peak 1987 volume 2.210e+02 ppm1 8.608 ppm2 9.074
ASSI ( resid 65 and name HN )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 1990 volume 0.000e+00 ppm1 8.937 ppm2 9.504
ASSI ( attr store1 < 9.237 and attr store1 > 9.197 )
     ( attr store1 < 9.529 and attr store1 > 9.489 )
     6.0 0.1 0.1 peak 1992 volume 1.810e+02 ppm1 9.217 ppm2 9.509
ASSI ( attr store1 < 9.099 and attr store1 > 9.059 )
     ( attr store1 < 9.392 and attr store1 > 9.352 )
     6.0 0.1 0.1 peak 1993 volume 3.260e+02 ppm1 9.079 ppm2 9.372
ASSI ( resid 19 and name HN )
     ( resid 114 and name HN )
     6.0 0.1 0.1 peak 1994 volume 2.133e+03 ppm1 9.141 ppm2 9.305
ASSI ( resid 111 and name HN )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 2000 volume 3.890e+02 ppm1 8.658 ppm2 9.135
ASSI ( attr store1 < 8.704 and attr store1 > 8.664 )
     ( attr store1 < 8.952 and attr store1 > 8.912 )
     6.0 0.1 0.1 peak 2002 volume 1.498e+03 ppm1 8.684 ppm2 8.932
ASSI ( resid 64 and name HN )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 2003 volume 2.910e+02 ppm1 9.495 ppm2 9.979
ASSI ( resid 51 and name HN )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 2004 volume 0.000e+00 ppm1 9.271 ppm2 9.826
ASSI ( resid 21 and name HN )
     ( resid 112 and name HN )
     6.0 0.1 0.1 peak 2006 volume 2.572e+03 ppm1 9.578 ppm2 9.826
ASSI ( attr store1 < 7.942 and attr store1 > 7.902 )
     ( attr store1 < 8.859 and attr store1 > 8.819 )
     6.0 0.1 0.1 peak 2011 volume 4.120e+02 ppm1 7.922 ppm2 8.839
ASSI ( attr store1 < 8.119 and attr store1 > 8.079 )
     ( attr store1 < 8.766 and attr store1 > 8.726 )
     6.0 0.1 0.1 peak 2013 volume 6.730e+02 ppm1 8.099 ppm2 8.746
ASSI ( attr store1 < 8.147 and attr store1 > 8.107 )
     ( attr store1 < 9.315 and attr store1 > 9.275 )
     6.0 0.1 0.1 peak 2014 volume 0.000e+00 ppm1 8.127 ppm2 9.295
ASSI ( resid 72 and name HE3 )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 2017 volume 8.380e+02 ppm1 7.006 ppm2 8.931
ASSI ( resid 72 and name HZ3 )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 2018 volume 0.000e+00 ppm1 6.706 ppm2 8.931
ASSI ( attr store1 < 5.265 and attr store1 > 5.225 )
     ( attr store1 < 8.888 and attr store1 > 8.848 )
     6.0 0.1 0.1 peak 2019 volume 1.289e+03 ppm1 5.245 ppm2 8.868
ASSI ( attr store1 < 4.006 and attr store1 > 3.966 )
     ( attr store1 < 9.313 and attr store1 > 9.273 )
     6.0 0.1 0.1 peak 2026 volume 0.000e+00 ppm1 3.986 ppm2 9.293
ASSI ( attr store1 < 4.005 and attr store1 > 3.965 )
     ( attr store1 < 9.273 and attr store1 > 9.233 )
     6.0 0.1 0.1 peak 2027 volume 0.000e+00 ppm1 3.985 ppm2 9.253
ASSI ( attr store1 < 3.333 and attr store1 > 3.293 )
     ( attr store1 < 8.907 and attr store1 > 8.867 )
     6.0 0.1 0.1 peak 2032 volume 0.000e+00 ppm1 3.313 ppm2 8.887
ASSI ( resid 85 and name hg# )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 2034 volume 0.000e+00 ppm1 1.459 ppm2 8.868
ASSI ( attr store1 < 1.078 and attr store1 > 1.038 )
     ( attr store1 < 8.86 and attr store1 > 8.82 )
     6.0 0.1 0.1 peak 2037 volume 1.932e+03 ppm1 1.058 ppm2 8.840
ASSI ( resid 64 and name hd2# )
     ( resid 65 and name HN )
     6.0 0.1 0.1 peak 2042 volume 1.025e+03 ppm1 0.549 ppm2 8.932
ASSI ( resid 25 and name hd1# )
     ( resid 26 and name HN )
     6.0 0.1 0.1 peak 2043 volume 0.000e+00 ppm1 0.571 ppm2 8.746
ASSI ( attr store1 < 0.133 and attr store1 > 0.093 )
     ( attr store1 < 9.274 and attr store1 > 9.234 )
     6.0 0.1 0.1 peak 2048 volume 2.440e+02 ppm1 0.113 ppm2 9.254
ASSI ( resid 64 and name hd2# )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 2053 volume 3.040e+02 ppm1 0.552 ppm2 8.683
ASSI ( attr store1 < 0.485 and attr store1 > 0.445 )
     ( attr store1 < 8.676 and attr store1 > 8.636 )
     6.0 0.1 0.1 peak 2054 volume 7.000e+02 ppm1 0.465 ppm2 8.656
ASSI ( attr store1 < 0.596 and attr store1 > 0.556 )
     ( attr store1 < 8.665 and attr store1 > 8.625 )
     6.0 0.1 0.1 peak 2055 volume 0.000e+00 ppm1 0.576 ppm2 8.645
ASSI ( resid 49 and name hg2# )
     ( resid 51 and name HE1 )
     6.0 0.1 0.1 peak 2056 volume 4.186e+03 ppm1 0.472 ppm2 8.613
ASSI ( resid 112 and name hd1# )
     ( resid 113 and name HN )
     6.0 0.1 0.1 peak 2057 volume 3.426e+04 ppm1 0.496 ppm2 8.492
ASSI ( resid 61 and name hd2# )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 2059 volume 1.908e+03 ppm1 0.595 ppm2 8.388
ASSI ( attr store1 < 0.563 and attr store1 > 0.523 )
     ( attr store1 < 8.268 and attr store1 > 8.228 )
     6.0 0.1 0.1 peak 2060 volume 1.830e+02 ppm1 0.543 ppm2 8.248
ASSI ( resid 25 and name hd1# )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 2061 volume 1.210e+03 ppm1 0.579 ppm2 8.211
ASSI ( resid 25 and name hd1# )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 2062 volume 1.118e+03 ppm1 0.579 ppm2 8.102
ASSI ( attr store1 < 0.615 and attr store1 > 0.575 )
     ( attr store1 < 8.031 and attr store1 > 7.991 )
     6.0 0.1 0.1 peak 2063 volume 2.390e+02 ppm1 0.595 ppm2 8.011
ASSI ( resid 131 and name hg2# )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 2065 weight 0.100e+02 volume 4.090e+02 ppm1 0.751 ppm2 8.166
ASSI ( attr store1 < 0.771 and attr store1 > 0.731 )
     ( attr store1 < 8.519 and attr store1 > 8.479 )
     6.0 0.1 0.1 peak 2066 volume 2.150e+03 ppm1 0.751 ppm2 8.499
ASSI ( resid 49 and name hg1# )
     ( resid 51 and name HE1 )
     6.0 0.1 0.1 peak 2067 volume 4.868e+03 ppm1 0.753 ppm2 8.614
ASSI ( resid 64 and name hd1# )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 2068 volume 9.850e+02 ppm1 0.668 ppm2 8.685
ASSI ( resid 131 and name hg2# )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 2069 volume 3.250e+02 ppm1 0.742 ppm2 8.683
ASSI ( attr store1 < 0.891 and attr store1 > 0.851 )
     ( attr store1 < 8.763 and attr store1 > 8.723 )
     6.0 0.1 0.1 peak 2071 volume 9.765e+03 ppm1 0.871 ppm2 8.743
ASSI ( resid 61 and name hd1# )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 2077 volume 5.490e+02 ppm1 0.903 ppm2 8.390
ASSI ( resid 62 and name hg1# )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 2078 volume 4.010e+02 ppm1 0.852 ppm2 8.244
ASSI ( resid 62 and name hd1# )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 2079 volume 2.409e+03 ppm1 0.911 ppm2 8.244
ASSI ( resid 84 and name hd2# )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 2080 volume 1.792e+03 ppm1 0.911 ppm2 8.193
ASSI ( attr store1 < 0.921 and attr store1 > 0.881 )
     ( attr store1 < 8.033 and attr store1 > 7.993 )
     6.0 0.1 0.1 peak 2082 volume 0.000e+00 ppm1 0.901 ppm2 8.013
ASSI ( resid 116 and name hg1# )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 2083 volume 3.250e+02 ppm1 1.176 ppm2 8.012
ASSI ( attr store1 < 1.086 and attr store1 > 1.046 )
     ( attr store1 < 8.235 and attr store1 > 8.195 )
     6.0 0.1 0.1 peak 2084 volume 6.630e+02 ppm1 1.066 ppm2 8.215
ASSI ( resid 53 and name hg2# )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 2086 volume 0.000e+00 ppm1 1.182 ppm2 8.147
ASSI ( resid 55 and name hg# )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 2087 volume 4.442e+03 ppm1 1.027 ppm2 8.281
ASSI ( resid 50 and name hd1# )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 2088 volume 0.000e+00 ppm1 1.015 ppm2 8.388
ASSI ( attr store1 < 1.136 and attr store1 > 1.096 )
     ( attr store1 < 8.545 and attr store1 > 8.505 )
     6.0 0.1 0.1 peak 2091 volume 2.879e+03 ppm1 1.116 ppm2 8.525
ASSI ( resid 53 and name hg2# )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 2092 volume 0.000e+00 ppm1 1.182 ppm2 8.601
ASSI ( resid 127 and name hg2# )
     ( resid 127 and name HN )
     6.0 0.1 0.1 peak 2095 volume 0.000e+00 ppm1 1.247 ppm2 8.723
ASSI ( resid 120 and name hd# )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 2097 volume 0.000e+00 ppm1 1.198 ppm2 8.539
ASSI ( resid 120 and name hg# )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 2098 volume 0.000e+00 ppm1 1.264 ppm2 8.536
ASSI ( attr store1 < 1.27 and attr store1 > 1.23 )
     ( attr store1 < 8.401 and attr store1 > 8.361 )
     6.0 0.1 0.1 peak 2100 volume 0.000e+00 ppm1 1.250 ppm2 8.381
ASSI ( resid 82 and name HG3 )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 2102 volume 7.660e+02 ppm1 1.380 ppm2 8.026
ASSI ( resid 84 and name hd1# )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 2104 volume 1.083e+03 ppm1 1.382 ppm2 8.196
ASSI ( attr store1 < 1.497 and attr store1 > 1.457 )
     ( attr store1 < 8.751 and attr store1 > 8.711 )
     6.0 0.1 0.1 peak 2105 volume 7.126e+03 ppm1 1.477 ppm2 8.731
ASSI ( attr store1 < 1.531 and attr store1 > 1.491 )
     ( attr store1 < 8.618 and attr store1 > 8.578 )
     6.0 0.1 0.1 peak 2107 volume 1.512e+03 ppm1 1.511 ppm2 8.598
ASSI ( resid 76 and name hg# )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 2110 volume 0.000e+00 ppm1 1.517 ppm2 8.247
ASSI ( resid 82 and name HG2 )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 2111 volume 9.000e+02 ppm1 1.506 ppm2 8.031
ASSI ( resid 120 and name HB3 )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 2113 volume 0.000e+00 ppm1 1.610 ppm2 8.536
ASSI ( resid 82 and name HD3 )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 2115 volume 1.592e+03 ppm1 1.722 ppm2 8.033
ASSI ( attr store1 < 1.611 and attr store1 > 1.571 )
     ( attr store1 < 8.045 and attr store1 > 8.005 )
     6.0 0.1 0.1 peak 2116 volume 4.500e+02 ppm1 1.591 ppm2 8.025
ASSI ( resid 82 and name hb# )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 2118 volume 2.079e+03 ppm1 1.904 ppm2 8.033
ASSI ( resid 26 and name HG3 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 2121 volume 0.000e+00 ppm1 2.007 ppm2 8.538
ASSI ( resid 26 and name HG2 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 2122 volume 0.000e+00 ppm1 2.167 ppm2 8.538
ASSI ( attr store1 < 2.189 and attr store1 > 2.149 )
     ( attr store1 < 8.233 and attr store1 > 8.193 )
     6.0 0.1 0.1 peak 2123 volume 8.450e+02 ppm1 2.169 ppm2 8.213
ASSI ( attr store1 < 2.261 and attr store1 > 2.221 )
     ( attr store1 < 8.583 and attr store1 > 8.543 )
     6.0 0.1 0.1 peak 2125 volume 1.310e+03 ppm1 2.241 ppm2 8.563
ASSI ( attr store1 < 2.304 and attr store1 > 2.264 )
     ( attr store1 < 8.545 and attr store1 > 8.505 )
     6.0 0.1 0.1 peak 2126 volume 1.800e+02 ppm1 2.284 ppm2 8.525
ASSI ( attr store1 < 2.282 and attr store1 > 2.242 )
     ( attr store1 < 8.155 and attr store1 > 8.115 )
     6.0 0.1 0.1 peak 2127 volume 6.360e+02 ppm1 2.262 ppm2 8.135
ASSI ( resid 109 and name HB3 )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 2131 volume 8.660e+02 ppm1 2.605 ppm2 8.149
ASSI ( resid 102 and name HB3 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 2132 volume 1.672e+03 ppm1 2.424 ppm2 8.212
ASSI ( resid 102 and name HB3 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 2134 volume 6.740e+02 ppm1 2.427 ppm2 8.427
ASSI ( resid 26 and name hb# )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 2135 volume 0.000e+00 ppm1 2.472 ppm2 8.539
ASSI ( resid 96 and name HB3 )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 2137 volume 0.000e+00 ppm1 2.650 ppm2 8.745
ASSI ( resid 119 and name HB2 )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 2139 volume 0.000e+00 ppm1 2.676 ppm2 8.536
ASSI ( resid 119 and name HB3 )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 2140 volume 0.000e+00 ppm1 2.576 ppm2 8.536
ASSI ( resid 47 and name HB2 )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 2144 volume 0.000e+00 ppm1 2.915 ppm2 8.012
ASSI ( resid 117 and name HB3 )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 2145 volume 0.000e+00 ppm1 3.031 ppm2 8.010
ASSI ( resid 51 and name HB2 )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 2152 volume 3.870e+02 ppm1 3.332 ppm2 8.654
ASSI ( attr store1 < 3.433 and attr store1 > 3.393 )
     ( attr store1 < 8.675 and attr store1 > 8.635 )
     6.0 0.1 0.1 peak 2153 volume 0.000e+00 ppm1 3.413 ppm2 8.655
ASSI ( resid 52 and name HB3 )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 2154 volume 0.000e+00 ppm1 3.413 ppm2 8.596
ASSI ( attr store1 < 3.279 and attr store1 > 3.239 )
     ( attr store1 < 8.264 and attr store1 > 8.224 )
     6.0 0.1 0.1 peak 2157 volume 1.614e+03 ppm1 3.259 ppm2 8.244
ASSI ( resid 102 and name HB2 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 2158 volume 2.518e+03 ppm1 3.308 ppm2 8.213
ASSI ( resid 27 and name HA2 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 2159 volume 6.540e+02 ppm1 3.413 ppm2 8.215
ASSI ( resid 52 and name HB3 )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 2160 volume 0.000e+00 ppm1 3.413 ppm2 8.145
ASSI ( resid 117 and name HB2 )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 2162 volume 0.000e+00 ppm1 3.301 ppm2 8.011
ASSI ( resid 52 and name HB2 )
     ( resid 53 and name HN )
     6.0 0.1 0.1 peak 2176 volume 0.000e+00 ppm1 3.964 ppm2 8.147
ASSI ( attr store1 < 3.782 and attr store1 > 3.742 )
     ( attr store1 < 8.028 and attr store1 > 7.988 )
     6.0 0.1 0.1 peak 2178 volume 3.320e+02 ppm1 3.762 ppm2 8.008
ASSI ( attr store1 < 4.131 and attr store1 > 4.091 )
     ( attr store1 < 8.409 and attr store1 > 8.369 )
     6.0 0.1 0.1 peak 2180 volume 1.341e+03 ppm1 4.111 ppm2 8.389
ASSI ( resid 116 and name HA )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 2182 volume 4.600e+02 ppm1 4.877 ppm2 8.009
ASSI ( resid 101 and name HA )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 2183 volume 3.240e+02 ppm1 4.883 ppm2 8.102
ASSI ( attr store1 < 4.9 and attr store1 > 4.86 )
     ( attr store1 < 8.237 and attr store1 > 8.197 )
     6.0 0.1 0.1 peak 2185 volume 3.810e+02 ppm1 4.880 ppm2 8.217
ASSI ( resid 102 and name HA )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 2186 volume 0.000e+00 ppm1 4.985 ppm2 8.213
ASSI ( resid 110 and name he# )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 2197 volume 1.419e+03 ppm1 6.313 ppm2 8.394
ASSI ( resid 66 and name HD22 )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 2199 volume 2.130e+02 ppm1 6.199 ppm2 8.165
ASSI ( resid 102 and name HD22 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 2200 volume 1.140e+03 ppm1 6.579 ppm2 8.212
ASSI ( attr store1 < 6.676 and attr store1 > 6.636 )
     ( attr store1 < 8.212 and attr store1 > 8.172 )
     6.0 0.1 0.1 peak 2201 volume 5.290e+02 ppm1 6.656 ppm2 8.192
ASSI ( attr store1 < 6.626 and attr store1 > 6.586 )
     ( attr store1 < 8.174 and attr store1 > 8.134 )
     6.0 0.1 0.1 peak 2202 volume 3.570e+02 ppm1 6.606 ppm2 8.154
ASSI ( resid 98 and name HH2 )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 2204 volume 1.120e+03 ppm1 6.656 ppm2 8.019
ASSI ( attr store1 < 6.604 and attr store1 > 6.564 )
     ( attr store1 < 8.042 and attr store1 > 8.002 )
     6.0 0.1 0.1 peak 2205 volume 3.950e+02 ppm1 6.584 ppm2 8.022
ASSI ( resid 47 and name hd# )
     ( resid 48 and name HN )
     6.0 0.1 0.1 peak 2206 volume 4.631e+03 ppm1 6.835 ppm2 8.012
ASSI ( attr store1 < 6.829 and attr store1 > 6.789 )
     ( attr store1 < 8.156 and attr store1 > 8.116 )
     6.0 0.1 0.1 peak 2208 volume 1.223e+03 ppm1 6.809 ppm2 8.136
ASSI ( attr store1 < 6.855 and attr store1 > 6.815 )
     ( attr store1 < 8.21 and attr store1 > 8.17 )
     6.0 0.1 0.1 peak 2209 volume 3.150e+02 ppm1 6.835 ppm2 8.190
ASSI ( resid 72 and name HE3 )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 2210 volume 0.000e+00 ppm1 7.008 ppm2 8.167
ASSI ( attr store1 < 6.858 and attr store1 > 6.818 )
     ( attr store1 < 8.378 and attr store1 > 8.338 )
     6.0 0.1 0.1 peak 2211 volume 5.000e+02 ppm1 6.838 ppm2 8.358
ASSI ( attr store1 < 6.979 and attr store1 > 6.939 )
     ( attr store1 < 8.367 and attr store1 > 8.327 )
     6.0 0.1 0.1 peak 2213 volume 2.130e+02 ppm1 6.959 ppm2 8.347
ASSI ( resid 54 and name HD22 )
     ( resid 56 and name HN )
     6.0 0.1 0.1 peak 2214 volume 9.810e+02 ppm1 7.003 ppm2 8.282
ASSI ( attr store1 < 6.967 and attr store1 > 6.927 )
     ( attr store1 < 8.763 and attr store1 > 8.723 )
     6.0 0.1 0.1 peak 2215 volume 2.690e+02 ppm1 6.947 ppm2 8.743
ASSI ( resid 72 and name HE3 )
     ( resid 73 and name HN )
     6.0 0.1 0.1 peak 2216 volume 0.000e+00 ppm1 7.010 ppm2 8.680
ASSI ( resid 102 and name HD22 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 2217 volume 3.950e+02 ppm1 6.581 ppm2 8.538
ASSI ( resid 110 and name hd# )
     ( resid 24 and name HN )
     6.0 0.1 0.1 peak 2218 volume 5.260e+02 ppm1 6.502 ppm2 8.396
ASSI ( attr store1 < 6.589 and attr store1 > 6.549 )
     ( attr store1 < 8.376 and attr store1 > 8.336 )
     6.0 0.1 0.1 peak 2219 volume 2.410e+02 ppm1 6.569 ppm2 8.356
ASSI ( resid 23 and name HN )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 2223 volume 7.498e+03 ppm1 7.057 ppm2 8.642
ASSI ( attr store1 < 7.158 and attr store1 > 7.118 )
     ( attr store1 < 8.628 and attr store1 > 8.588 )
     6.0 0.1 0.1 peak 2224 volume 0.000e+00 ppm1 7.138 ppm2 8.608
ASSI ( resid 102 and name HD21 )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 2225 volume 4.020e+02 ppm1 7.085 ppm2 8.536
ASSI ( resid 102 and name HD21 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 2227 volume 9.940e+02 ppm1 7.088 ppm2 8.427
ASSI ( resid 102 and name HD21 )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 2228 volume 1.105e+03 ppm1 7.086 ppm2 8.211
ASSI ( attr store1 < 7.207 and attr store1 > 7.167 )
     ( attr store1 < 8.036 and attr store1 > 7.996 )
     6.0 0.1 0.1 peak 2229 volume 8.010e+02 ppm1 7.187 ppm2 8.016
ASSI ( attr store1 < 7.219 and attr store1 > 7.179 )
     ( attr store1 < 8.373 and attr store1 > 8.333 )
     6.0 0.1 0.1 peak 2231 volume 4.050e+02 ppm1 7.199 ppm2 8.353
ASSI ( resid 51 and name HD2 )
     ( resid 113 and name HN )
     6.0 0.1 0.1 peak 2233 volume 6.790e+02 ppm1 7.288 ppm2 8.491
ASSI ( attr store1 < 7.555 and attr store1 > 7.515 )
     ( attr store1 < 8.165 and attr store1 > 8.125 )
     6.0 0.1 0.1 peak 2239 volume 2.220e+02 ppm1 7.535 ppm2 8.145
ASSI ( resid 82 and name HN )
     ( resid 79 and name HN )
     6.0 0.1 0.1 peak 2240 volume 0.000e+00 ppm1 7.618 ppm2 8.033
ASSI ( resid 57 and name HN )
     ( resid 55 and name HN )
     6.0 0.1 0.1 peak 2243 volume 6.050e+02 ppm1 7.336 ppm2 8.664
ASSI ( resid 113 and name HN )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 2247 volume 5.080e+03 ppm1 8.358 ppm2 8.493
ASSI ( attr store1 < 8.239 and attr store1 > 8.199 )
     ( attr store1 < 8.55 and attr store1 > 8.51 )
     6.0 0.1 0.1 peak 2248 volume 8.810e+02 ppm1 8.219 ppm2 8.530
ASSI ( attr store1 < 8.251 and attr store1 > 8.211 )
     ( attr store1 < 8.765 and attr store1 > 8.725 )
     6.0 0.1 0.1 peak 2250 volume 7.290e+02 ppm1 8.231 ppm2 8.745
ASSI ( resid 56 and name HN )
     ( resid 54 and name HN )
     6.0 0.1 0.1 peak 2251 volume 3.850e+02 ppm1 8.283 ppm2 8.599
ASSI ( resid 82 and name HN )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 2253 volume 1.950e+02 ppm1 7.611 ppm2 7.817
ASSI ( resid 59 and name HN )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 2254 volume 6.280e+02 ppm1 7.265 ppm2 7.819
ASSI ( resid 103 and name HD21 )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 2255 volume 8.209e+03 ppm1 7.103 ppm2 7.914
ASSI ( attr store1 < 7.432 and attr store1 > 7.392 )
     ( attr store1 < 7.953 and attr store1 > 7.913 )
     6.0 0.1 0.1 peak 2257 volume 2.570e+02 ppm1 7.412 ppm2 7.933
ASSI ( resid 72 and name HE3 )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 2261 volume 0.000e+00 ppm1 7.011 ppm2 7.232
ASSI ( resid 66 and name HD22 )
     ( resid 71 and name HN )
     6.0 0.1 0.1 peak 2262 volume 8.310e+02 ppm1 6.199 ppm2 7.725
ASSI ( resid 66 and name HD22 )
     ( resid 72 and name HZ2 )
     6.0 0.1 0.1 peak 2264 volume 4.630e+02 ppm1 6.199 ppm2 7.448
ASSI ( resid 66 and name HD22 )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 2266 weight 0.100e+02 volume 5.210e+02 ppm1 6.195 ppm2 7.236
ASSI ( attr store1 < 6.74 and attr store1 > 6.7 )
     ( attr store1 < 7.269 and attr store1 > 7.229 )
     6.0 0.1 0.1 peak 2267 volume 9.200e+02 ppm1 6.720 ppm2 7.249
ASSI ( attr store1 < 6.596 and attr store1 > 6.556 )
     ( attr store1 < 7.933 and attr store1 > 7.893 )
     6.0 0.1 0.1 peak 2273 volume 2.110e+02 ppm1 6.576 ppm2 7.913
ASSI ( attr store1 < 6.632 and attr store1 > 6.592 )
     ( attr store1 < 7.634 and attr store1 > 7.594 )
     6.0 0.1 0.1 peak 2275 volume 3.290e+02 ppm1 6.612 ppm2 7.614
ASSI ( attr store1 < 5.057 and attr store1 > 5.017 )
     ( attr store1 < 7.546 and attr store1 > 7.506 )
     6.0 0.1 0.1 peak 2278 volume 0.000e+00 ppm1 5.037 ppm2 7.526
ASSI ( resid 64 and name HA )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 2279 volume 5.410e+02 ppm1 5.263 ppm2 7.464
ASSI ( resid 108 and name HA )
     ( resid 54 and name HD21 )
     6.0 0.1 0.1 peak 2280 volume 9.750e+02 ppm1 4.905 ppm2 7.454
ASSI ( resid 65 and name HA )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 2282 volume 6.710e+02 ppm1 4.975 ppm2 7.319
ASSI ( attr store1 < 4.793 and attr store1 > 4.753 )
     ( attr store1 < 7.342 and attr store1 > 7.302 )
     6.0 0.1 0.1 peak 2283 volume 9.810e+02 ppm1 4.773 ppm2 7.322
ASSI ( resid 102 and name HA )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 2284 volume 1.917e+03 ppm1 4.981 ppm2 7.914
ASSI ( attr store1 < 4.371 and attr store1 > 4.331 )
     ( attr store1 < 7.933 and attr store1 > 7.893 )
     6.0 0.1 0.1 peak 2287 volume 5.650e+02 ppm1 4.351 ppm2 7.913
ASSI ( attr store1 < 4.357 and attr store1 > 4.317 )
     ( attr store1 < 7.745 and attr store1 > 7.705 )
     6.0 0.1 0.1 peak 2288 volume 3.390e+02 ppm1 4.337 ppm2 7.725
ASSI ( resid 69 and name HA2 )
     ( resid 70 and name HN )
     6.0 0.1 0.1 peak 2292 volume 9.960e+02 ppm1 3.506 ppm2 7.928
ASSI ( attr store1 < 3.652 and attr store1 > 3.612 )
     ( attr store1 < 7.939 and attr store1 > 7.899 )
     6.0 0.1 0.1 peak 2293 volume 3.310e+02 ppm1 3.632 ppm2 7.919
ASSI ( resid 79 and name HB2 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 2300 volume 8.910e+02 ppm1 3.130 ppm2 7.615
ASSI ( resid 102 and name HB2 )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 2301 volume 4.330e+02 ppm1 3.311 ppm2 7.917
ASSI ( resid 102 and name HB3 )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 2305 volume 6.660e+02 ppm1 2.420 ppm2 7.916
ASSI ( resid 98 and name HB2 )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 2310 volume 0.000e+00 ppm1 2.980 ppm2 7.269
ASSI ( attr store1 < 2.546 and attr store1 > 2.506 )
     ( attr store1 < 7.215 and attr store1 > 7.175 )
     6.0 0.1 0.1 peak 2312 volume 2.200e+02 ppm1 2.526 ppm2 7.195
ASSI ( resid 96 and name HB2 )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 2316 volume 0.000e+00 ppm1 2.899 ppm2 7.322
ASSI ( attr store1 < 2.051 and attr store1 > 2.011 )
     ( attr store1 < 7.473 and attr store1 > 7.433 )
     6.0 0.1 0.1 peak 2318 volume 1.530e+02 ppm1 2.031 ppm2 7.453
ASSI ( attr store1 < 1.898 and attr store1 > 1.858 )
     ( attr store1 < 7.287 and attr store1 > 7.247 )
     6.0 0.1 0.1 peak 2321 volume 3.080e+02 ppm1 1.878 ppm2 7.267
ASSI ( attr store1 < 1.997 and attr store1 > 1.957 )
     ( attr store1 < 7.938 and attr store1 > 7.898 )
     6.0 0.1 0.1 peak 2322 volume 2.920e+02 ppm1 1.977 ppm2 7.918
ASSI ( resid 80 and name HB )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 2324 volume 0.000e+00 ppm1 1.765 ppm2 7.818
ASSI ( attr store1 < 1.412 and attr store1 > 1.372 )
     ( attr store1 < 7.925 and attr store1 > 7.885 )
     6.0 0.1 0.1 peak 2328 volume 6.290e+02 ppm1 1.392 ppm2 7.905
ASSI ( resid 63 and name HB3 )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 2331 volume 5.870e+02 ppm1 1.330 ppm2 7.464
ASSI ( attr store1 < 1.348 and attr store1 > 1.308 )
     ( attr store1 < 7.341 and attr store1 > 7.301 )
     6.0 0.1 0.1 peak 2333 volume 2.930e+02 ppm1 1.328 ppm2 7.321
ASSI ( attr store1 < 1.212 and attr store1 > 1.172 )
     ( attr store1 < 7.483 and attr store1 > 7.443 )
     6.0 0.1 0.1 peak 2334 volume 3.490e+02 ppm1 1.192 ppm2 7.463
ASSI ( resid 63 and name HB3 )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 2335 volume 1.372e+04 ppm1 1.333 ppm2 7.266
ASSI ( resid 46 and name HB3 )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 2336 volume 1.415e+03 ppm1 1.382 ppm2 7.191
ASSI ( resid 46 and name HB2 )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 2337 volume 9.000e+02 ppm1 1.508 ppm2 7.192
ASSI ( attr store1 < 1.519 and attr store1 > 1.479 )
     ( attr store1 < 7.288 and attr store1 > 7.248 )
     6.0 0.1 0.1 peak 2338 volume 2.550e+03 ppm1 1.499 ppm2 7.268
ASSI ( attr store1 < 1.657 and attr store1 > 1.617 )
     ( attr store1 < 7.341 and attr store1 > 7.301 )
     6.0 0.1 0.1 peak 2342 volume 4.150e+02 ppm1 1.637 ppm2 7.321
ASSI ( attr store1 < 1.785 and attr store1 > 1.745 )
     ( attr store1 < 7.284 and attr store1 > 7.244 )
     6.0 0.1 0.1 peak 2343 volume 1.741e+03 ppm1 1.765 ppm2 7.264
ASSI ( resid 75 and name HB )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 2344 volume 0.000e+00 ppm1 1.584 ppm2 7.462
ASSI ( resid 80 and name hg1# )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 2346 volume 0.000e+00 ppm1 1.061 ppm2 7.818
ASSI ( resid 80 and name hg2# )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 2347 volume 0.000e+00 ppm1 0.888 ppm2 7.818
ASSI ( resid 55 and name hg# )
     ( resid 56 and name HD21 )
     6.0 0.1 0.1 peak 2348 volume 1.866e+03 ppm1 1.027 ppm2 7.703
ASSI ( attr store1 < 1.074 and attr store1 > 1.034 )
     ( attr store1 < 7.643 and attr store1 > 7.603 )
     6.0 0.1 0.1 peak 2349 volume 2.880e+02 ppm1 1.054 ppm2 7.623
ASSI ( attr store1 < 0.747 and attr store1 > 0.707 )
     ( attr store1 < 7.836 and attr store1 > 7.796 )
     6.0 0.1 0.1 peak 2351 volume 2.920e+02 ppm1 0.727 ppm2 7.816
ASSI ( attr store1 < 0.783 and attr store1 > 0.743 )
     ( attr store1 < 7.636 and attr store1 > 7.596 )
     6.0 0.1 0.1 peak 2353 volume 2.140e+02 ppm1 0.763 ppm2 7.616
ASSI ( resid 114 and name hb# )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 2354 volume 0.000e+00 ppm1 1.137 ppm2 7.192
ASSI ( attr store1 < 1.073 and attr store1 > 1.033 )
     ( attr store1 < 7.284 and attr store1 > 7.244 )
     6.0 0.1 0.1 peak 2355 volume 2.667e+03 ppm1 1.053 ppm2 7.264
ASSI ( resid 62 and name hg2# )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 2358 volume 1.120e+03 ppm1 0.862 ppm2 7.464
ASSI ( resid 61 and name hd1# )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 2360 volume 9.169e+03 ppm1 0.904 ppm2 7.268
ASSI ( resid 131 and name hg1# )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 2361 weight 0.100e+02 volume 2.486e+03 ppm1 0.849 ppm2 7.236
ASSI ( attr store1 < 0.927 and attr store1 > 0.887 )
     ( attr store1 < 7.216 and attr store1 > 7.176 )
     6.0 0.1 0.1 peak 2362 volume 0.000e+00 ppm1 0.907 ppm2 7.196
ASSI ( resid 24 and name hg2# )
     ( resid 109 and name HD21 )
     6.0 0.1 0.1 peak 2365 volume 4.290e+02 ppm1 1.076 ppm2 7.524
ASSI ( resid 63 and name HG )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 2366 volume 0.000e+00 ppm1 1.053 ppm2 7.465
ASSI ( resid 131 and name hg2# )
     ( resid 72 and name HD1 )
     6.0 0.1 0.1 peak 2368 weight 0.100e+02 volume 1.107e+03 ppm1 0.748 ppm2 7.235
ASSI ( resid 49 and name hg1# )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 2369 volume 0.000e+00 ppm1 0.754 ppm2 7.288
ASSI ( resid 49 and name hg2# )
     ( resid 51 and name HD2 )
     6.0 0.1 0.1 peak 2375 volume 0.000e+00 ppm1 0.471 ppm2 7.288
ASSI ( resid 64 and name hd1# )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 2377 volume 3.230e+02 ppm1 0.659 ppm2 7.463
ASSI ( resid 97 and name hg1# )
     ( resid 72 and name HZ2 )
     6.0 0.1 0.1 peak 2378 volume 2.640e+02 ppm1 0.423 ppm2 7.446
ASSI ( attr store1 < -0.168 and attr store1 > -0.208 )
     ( attr store1 < 7.477 and attr store1 > 7.437 )
     6.0 0.1 0.1 peak 2382 volume 2.100e+02 ppm1 -0.188 ppm2 7.457
ASSI ( attr store1 < -0.293 and attr store1 > -0.333 )
     ( attr store1 < 6.74 and attr store1 > 6.7 )
     6.0 0.1 0.1 peak 2385 volume 4.200e+02 ppm1 -0.313 ppm2 6.720
ASSI ( resid 112 and name hd2# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2388 volume 2.949e+04 ppm1 0.444 ppm2 7.137
ASSI ( resid 112 and name hd1# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2389 volume 3.261e+04 ppm1 0.501 ppm2 7.137
ASSI ( attr store1 < 0.593 and attr store1 > 0.553 )
     ( attr store1 < 7.098 and attr store1 > 7.058 )
     6.0 0.1 0.1 peak 2390 volume 4.400e+02 ppm1 0.573 ppm2 7.078
ASSI ( resid 64 and name hd2# )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2391 volume 1.682e+03 ppm1 0.552 ppm2 7.003
ASSI ( resid 97 and name hg1# )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2393 volume 4.460e+02 ppm1 0.419 ppm2 7.004
ASSI ( attr store1 < 0.557 and attr store1 > 0.517 )
     ( attr store1 < 6.861 and attr store1 > 6.821 )
     6.0 0.1 0.1 peak 2396 volume 3.329e+03 ppm1 0.537 ppm2 6.841
ASSI ( resid 112 and name hd2# )
     ( resid 21 and name he# )
     6.0 0.1 0.1 peak 2397 volume 6.492e+03 ppm1 0.444 ppm2 6.806
ASSI ( resid 112 and name hd2# )
     ( resid 98 and name HD1 )
     6.0 0.1 0.1 peak 2399 volume 2.084e+03 ppm1 0.445 ppm2 6.723
ASSI ( attr store1 < 0.615 and attr store1 > 0.575 )
     ( attr store1 < 6.675 and attr store1 > 6.635 )
     6.0 0.1 0.1 peak 2401 volume 6.300e+02 ppm1 0.595 ppm2 6.655
ASSI ( resid 25 and name hd1# )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 2402 volume 7.280e+02 ppm1 0.577 ppm2 6.571
ASSI ( resid 49 and name hg2# )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 2403 volume 3.973e+03 ppm1 0.472 ppm2 6.567
ASSI ( resid 100 and name hg2# )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2404 volume 2.439e+03 ppm1 0.465 ppm2 6.497
ASSI ( attr store1 < 0.599 and attr store1 > 0.559 )
     ( attr store1 < 6.517 and attr store1 > 6.477 )
     6.0 0.1 0.1 peak 2405 volume 2.803e+03 ppm1 0.579 ppm2 6.497
ASSI ( attr store1 < 0.725 and attr store1 > 0.685 )
     ( attr store1 < 7.153 and attr store1 > 7.113 )
     6.0 0.1 0.1 peak 2406 volume 3.570e+02 ppm1 0.705 ppm2 7.133
ASSI ( resid 64 and name hd1# )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2407 volume 1.249e+03 ppm1 0.670 ppm2 7.003
ASSI ( resid 131 and name hg2# )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2408 weight 0.100e+02 volume 3.460e+02 ppm1 0.750 ppm2 7.001
ASSI ( resid 131 and name hg1# )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2410 weight 0.100e+02 volume 4.080e+02 ppm1 0.852 ppm2 7.004
ASSI ( resid 49 and name hg1# )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 2414 volume 4.561e+03 ppm1 0.751 ppm2 6.567
ASSI ( resid 31 and name hg2# )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2415 weight 0.100e+02 volume 2.009e+03 ppm1 0.705 ppm2 6.498
ASSI ( resid 31 and name hg1# )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2416 weight 0.100e+02 volume 0.000e+00 ppm1 0.900 ppm2 6.498
ASSI ( resid 25 and name hg2# )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2417 volume 1.984e+04 ppm1 1.064 ppm2 6.497
ASSI ( resid 25 and name hg1# )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2418 volume 5.028e+03 ppm1 1.155 ppm2 6.496
ASSI ( resid 100 and name HB )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2419 volume 9.340e+02 ppm1 1.345 ppm2 6.498
ASSI ( resid 53 and name hg2# )
     ( resid 109 and name HD22 )
     6.0 0.1 0.1 peak 2422 volume 5.260e+02 ppm1 1.180 ppm2 6.605
ASSI ( resid 22 and name hg2# )
     ( resid 109 and name HD22 )
     6.0 0.1 0.1 peak 2423 volume 1.397e+03 ppm1 1.076 ppm2 6.605
ASSI ( attr store1 < 0.925 and attr store1 > 0.885 )
     ( attr store1 < 6.617 and attr store1 > 6.577 )
     6.0 0.1 0.1 peak 2424 volume 9.810e+02 ppm1 0.905 ppm2 6.597
ASSI ( attr store1 < 1.173 and attr store1 > 1.133 )
     ( attr store1 < 6.677 and attr store1 > 6.637 )
     6.0 0.1 0.1 peak 2427 volume 2.060e+02 ppm1 1.153 ppm2 6.657
ASSI ( attr store1 < 0.922 and attr store1 > 0.882 )
     ( attr store1 < 6.743 and attr store1 > 6.703 )
     6.0 0.1 0.1 peak 2428 volume 1.263e+03 ppm1 0.902 ppm2 6.723
ASSI ( attr store1 < 1.022 and attr store1 > 0.982 )
     ( attr store1 < 6.725 and attr store1 > 6.685 )
     6.0 0.1 0.1 peak 2430 volume 1.963e+03 ppm1 1.002 ppm2 6.705
ASSI ( resid 125 and name hg1# )
     ( resid 21 and name he# )
     6.0 0.1 0.1 peak 2432 volume 2.147e+03 ppm1 1.043 ppm2 6.807
ASSI ( resid 55 and name hg# )
     ( resid 56 and name HD22 )
     6.0 0.1 0.1 peak 2433 volume 2.425e+03 ppm1 1.027 ppm2 6.907
ASSI ( attr store1 < 1.028 and attr store1 > 0.988 )
     ( attr store1 < 7.023 and attr store1 > 6.983 )
     6.0 0.1 0.1 peak 2436 volume 8.730e+02 ppm1 1.008 ppm2 7.003
ASSI ( resid 22 and name hg2# )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 2438 volume 7.048e+03 ppm1 1.081 ppm2 7.051
ASSI ( resid 125 and name hg2# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2439 volume 6.680e+02 ppm1 0.925 ppm2 7.138
ASSI ( resid 125 and name hg1# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2440 volume 3.116e+03 ppm1 1.043 ppm2 7.138
ASSI ( resid 114 and name hb# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2441 volume 3.516e+03 ppm1 1.143 ppm2 7.136
ASSI ( attr store1 < 1.294 and attr store1 > 1.254 )
     ( attr store1 < 7.154 and attr store1 > 7.114 )
     6.0 0.1 0.1 peak 2442 volume 2.215e+03 ppm1 1.274 ppm2 7.134
ASSI ( resid 64 and name HG )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2446 volume 3.398e+03 ppm1 1.421 ppm2 7.004
ASSI ( resid 64 and name HB3 )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2447 volume 1.239e+03 ppm1 1.528 ppm2 7.002
ASSI ( resid 97 and name HB )
     ( resid 72 and name HH2 )
     6.0 0.1 0.1 peak 2449 volume 1.137e+03 ppm1 1.253 ppm2 6.946
ASSI ( resid 85 and name hg# )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 2450 volume 4.584e+03 ppm1 1.461 ppm2 6.834
ASSI ( resid 115 and name hg2# )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 2451 volume 5.077e+03 ppm1 1.335 ppm2 6.835
ASSI ( attr store1 < 1.291 and attr store1 > 1.251 )
     ( attr store1 < 6.827 and attr store1 > 6.787 )
     6.0 0.1 0.1 peak 2452 volume 4.556e+03 ppm1 1.271 ppm2 6.807
ASSI ( attr store1 < 1.179 and attr store1 > 1.139 )
     ( attr store1 < 6.826 and attr store1 > 6.786 )
     6.0 0.1 0.1 peak 2453 volume 4.902e+03 ppm1 1.159 ppm2 6.806
ASSI ( resid 114 and name hb# )
     ( resid 98 and name HD1 )
     6.0 0.1 0.1 peak 2455 volume 1.397e+03 ppm1 1.142 ppm2 6.726
ASSI ( resid 97 and name HB )
     ( resid 72 and name HZ3 )
     6.0 0.1 0.1 peak 2456 volume 8.500e+02 ppm1 1.251 ppm2 6.705
ASSI ( attr store1 < 1.436 and attr store1 > 1.396 )
     ( attr store1 < 6.738 and attr store1 > 6.698 )
     6.0 0.1 0.1 peak 2457 volume 3.712e+03 ppm1 1.416 ppm2 6.718
ASSI ( resid 46 and name HB3 )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 2458 volume 2.442e+03 ppm1 1.383 ppm2 6.657
ASSI ( resid 46 and name HB2 )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 2459 volume 1.347e+03 ppm1 1.512 ppm2 6.658
ASSI ( resid 115 and name hg2# )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 2460 volume 6.440e+02 ppm1 1.336 ppm2 6.566
ASSI ( resid 82 and name HG3 )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 2461 volume 0.000e+00 ppm1 1.379 ppm2 6.606
ASSI ( resid 85 and name hg# )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 2462 volume 1.092e+03 ppm1 1.459 ppm2 6.566
ASSI ( resid 25 and name HB )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2465 volume 1.452e+04 ppm1 1.565 ppm2 6.498
ASSI ( attr store1 < 1.605 and attr store1 > 1.565 )
     ( attr store1 < 6.59 and attr store1 > 6.55 )
     6.0 0.1 0.1 peak 2468 volume 2.040e+03 ppm1 1.585 ppm2 6.570
ASSI ( attr store1 < 1.638 and attr store1 > 1.598 )
     ( attr store1 < 6.675 and attr store1 > 6.635 )
     6.0 0.1 0.1 peak 2469 volume 0.000e+00 ppm1 1.618 ppm2 6.655
ASSI ( resid 82 and name HD3 )
     ( resid 78 and name HD21 )
     6.0 0.1 0.1 peak 2471 volume 1.574e+03 ppm1 1.722 ppm2 6.654
ASSI ( attr store1 < 1.75 and attr store1 > 1.71 )
     ( attr store1 < 6.587 and attr store1 > 6.547 )
     6.0 0.1 0.1 peak 2472 volume 7.601e+03 ppm1 1.730 ppm2 6.567
ASSI ( attr store1 < 1.731 and attr store1 > 1.691 )
     ( attr store1 < 6.855 and attr store1 > 6.815 )
     6.0 0.1 0.1 peak 2473 volume 3.309e+03 ppm1 1.711 ppm2 6.835
ASSI ( resid 85 and name hb# )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 2474 volume 4.289e+03 ppm1 1.891 ppm2 6.837
ASSI ( attr store1 < 1.981 and attr store1 > 1.941 )
     ( attr store1 < 6.86 and attr store1 > 6.82 )
     6.0 0.1 0.1 peak 2475 volume 2.278e+03 ppm1 1.961 ppm2 6.840
ASSI ( attr store1 < 2.131 and attr store1 > 2.091 )
     ( attr store1 < 6.823 and attr store1 > 6.783 )
     6.0 0.1 0.1 peak 2477 volume 0.000e+00 ppm1 2.111 ppm2 6.803
ASSI ( attr store1 < 2.116 and attr store1 > 2.076 )
     ( attr store1 < 6.752 and attr store1 > 6.712 )
     6.0 0.1 0.1 peak 2478 volume 1.970e+02 ppm1 2.096 ppm2 6.732
ASSI ( resid 82 and name hb# )
     ( resid 78 and name HD21 )
     6.0 0.1 0.1 peak 2480 volume 1.903e+03 ppm1 1.907 ppm2 6.655
ASSI ( resid 83 and name HB3 )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 2481 volume 2.542e+03 ppm1 2.026 ppm2 6.567
ASSI ( resid 83 and name HB2 )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 2482 volume 7.240e+02 ppm1 2.195 ppm2 6.568
ASSI ( attr store1 < 2.101 and attr store1 > 2.061 )
     ( attr store1 < 6.517 and attr store1 > 6.477 )
     6.0 0.1 0.1 peak 2483 volume 1.897e+03 ppm1 2.081 ppm2 6.497
ASSI ( resid 82 and name hb# )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 2484 volume 1.409e+03 ppm1 1.909 ppm2 6.604
ASSI ( resid 112 and name HB2 )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2486 volume 1.815e+03 ppm1 2.121 ppm2 7.137
ASSI ( attr store1 < 2.089 and attr store1 > 2.049 )
     ( attr store1 < 7.102 and attr store1 > 7.062 )
     6.0 0.1 0.1 peak 2487 volume 3.230e+02 ppm1 2.069 ppm2 7.082
ASSI ( resid 64 and name HB2 )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2490 volume 2.275e+03 ppm1 1.909 ppm2 7.004
ASSI ( attr store1 < 1.939 and attr store1 > 1.899 )
     ( attr store1 < 6.986 and attr store1 > 6.946 )
     6.0 0.1 0.1 peak 2491 volume 1.073e+03 ppm1 1.919 ppm2 6.966
ASSI ( attr store1 < 2.214 and attr store1 > 2.174 )
     ( attr store1 < 6.934 and attr store1 > 6.894 )
     6.0 0.1 0.1 peak 2494 volume 1.900e+02 ppm1 2.194 ppm2 6.914
ASSI ( attr store1 < 2.545 and attr store1 > 2.505 )
     ( attr store1 < 7.121 and attr store1 > 7.081 )
     6.0 0.1 0.1 peak 2496 volume 6.270e+02 ppm1 2.525 ppm2 7.101
ASSI ( resid 86 and name HB3 )
     ( resid 86 and name he# )
     6.0 0.1 0.1 peak 2499 volume 0.000e+00 ppm1 2.319 ppm2 6.658
ASSI ( resid 50 and name HA )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2501 volume 3.100e+02 ppm1 4.782 ppm2 6.497
ASSI ( resid 22 and name HA )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2502 volume 4.146e+03 ppm1 4.953 ppm2 6.496
ASSI ( resid 24 and name HA )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2503 volume 9.633e+03 ppm1 5.033 ppm2 6.498
ASSI ( resid 111 and name HA )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2504 volume 2.847e+03 ppm1 5.129 ppm2 6.496
ASSI ( resid 109 and name HA )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 2505 volume 4.144e+03 ppm1 5.287 ppm2 6.497
ASSI ( resid 114 and name HA )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 2506 volume 6.430e+02 ppm1 5.278 ppm2 6.567
ASSI ( resid 65 and name HA )
     ( resid 72 and name HZ3 )
     6.0 0.1 0.1 peak 2508 volume 1.976e+03 ppm1 4.979 ppm2 6.704
ASSI ( resid 114 and name HA )
     ( resid 47 and name hd# )
     6.0 0.1 0.1 peak 2509 volume 1.099e+03 ppm1 5.284 ppm2 6.836
ASSI ( attr store1 < 5.232 and attr store1 > 5.192 )
     ( attr store1 < 6.859 and attr store1 > 6.819 )
     6.0 0.1 0.1 peak 2510 volume 0.000e+00 ppm1 5.212 ppm2 6.839
ASSI ( attr store1 < 4.996 and attr store1 > 4.956 )
     ( attr store1 < 6.968 and attr store1 > 6.928 )
     6.0 0.1 0.1 peak 2513 volume 2.660e+02 ppm1 4.976 ppm2 6.948
ASSI ( resid 110 and name he# )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 2516 volume 8.099e+03 ppm1 6.318 ppm2 7.049
ASSI ( resid 110 and name he# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2517 volume 6.373e+03 ppm1 6.315 ppm2 7.135
ASSI ( resid 110 and name hd# )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 2518 volume 1.193e+04 ppm1 6.505 ppm2 7.050
ASSI ( resid 110 and name hd# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2519 volume 1.513e+03 ppm1 6.500 ppm2 7.134
ASSI ( resid 21 and name he# )
     ( resid 21 and name hd# )
     6.0 0.1 0.1 peak 2522 volume 0.000e+00 ppm1 6.808 ppm2 7.138
ASSI ( attr store1 < 6.925 and attr store1 > 6.885 )
     ( attr store1 < 7.127 and attr store1 > 7.087 )
     6.0 0.1 0.1 peak 2524 volume 6.300e+02 ppm1 6.905 ppm2 7.107
ASSI ( resid 72 and name HZ3 )
     ( resid 72 and name HE3 )
     6.0 0.1 0.1 peak 2526 volume 0.000e+00 ppm1 6.704 ppm2 7.006
ASSI ( resid 109 and name HA )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 2529 volume 1.125e+03 ppm1 5.288 ppm2 6.311
ASSI ( resid 111 and name HA )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 2532 volume 1.052e+03 ppm1 5.128 ppm2 6.311
ASSI ( resid 24 and name HA )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 2533 volume 2.450e+03 ppm1 5.033 ppm2 6.311
ASSI ( resid 22 and name HA )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 2534 volume 3.299e+03 ppm1 4.957 ppm2 6.312
ASSI ( resid 25 and name HA )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 2536 volume 1.224e+03 ppm1 4.675 ppm2 6.311
ASSI ( resid 70 and name HA )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 2540 weight 0.100e+02 volume 1.610e+03 ppm1 4.583 ppm2 6.197
ASSI ( resid 112 and name hd1# )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 2548 volume 8.374e+04 ppm1 0.496 ppm2 -0.032
ASSI ( resid 61 and name hd2# )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 2549 volume 5.905e+03 ppm1 0.595 ppm2 -0.032
ASSI ( attr store1 < 0.561 and attr store1 > 0.521 )
     ( attr store1 < -0.174 and attr store1 > -0.214 )
     6.0 0.1 0.1 peak 2552 volume 1.955e+03 ppm1 0.541 ppm2 -0.194
ASSI ( attr store1 < 0.61 and attr store1 > 0.57 )
     ( attr store1 < -0.176 and attr store1 > -0.216 )
     6.0 0.1 0.1 peak 2553 volume 3.800e+02 ppm1 0.590 ppm2 -0.196
ASSI ( attr store1 < 0.769 and attr store1 > 0.729 )
     ( attr store1 < -0.013 and attr store1 > -0.053 )
     6.0 0.1 0.1 peak 2556 volume 5.140e+02 ppm1 0.749 ppm2 -0.033
ASSI ( resid 33 and name HG13 )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 2557 volume 4.749e+03 ppm1 0.707 ppm2 0.123
ASSI ( resid 64 and name hd2# )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 2560 volume 1.676e+03 ppm1 0.550 ppm2 -0.537
ASSI ( resid 131 and name hg2# )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 2561 volume 3.732e+03 ppm1 0.745 ppm2 -0.536
ASSI ( attr store1 < 0.872 and attr store1 > 0.832 )
     ( attr store1 < -0.176 and attr store1 > -0.216 )
     6.0 0.1 0.1 peak 2569 volume 3.260e+02 ppm1 0.852 ppm2 -0.196
ASSI ( attr store1 < 0.924 and attr store1 > 0.884 )
     ( attr store1 < -0.173 and attr store1 > -0.213 )
     6.0 0.1 0.1 peak 2570 volume 1.727e+03 ppm1 0.904 ppm2 -0.193
ASSI ( resid 61 and name hd1# )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 2573 volume 2.201e+03 ppm1 0.901 ppm2 -0.032
ASSI ( resid 114 and name hb# )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 2574 volume 9.464e+03 ppm1 1.141 ppm2 -0.033
ASSI ( attr store1 < 1.098 and attr store1 > 1.058 )
     ( attr store1 < -0.013 and attr store1 > -0.053 )
     6.0 0.1 0.1 peak 2575 volume 1.732e+03 ppm1 1.078 ppm2 -0.033
ASSI ( attr store1 < 1.039 and attr store1 > 0.999 )
     ( attr store1 < 0.141 and attr store1 > 0.101 )
     6.0 0.1 0.1 peak 2576 volume 5.005e+03 ppm1 1.019 ppm2 0.121
ASSI ( resid 125 and name hg2# )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 2578 volume 4.750e+02 ppm1 0.926 ppm2 0.182
ASSI ( resid 125 and name hg1# )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 2579 volume 1.566e+03 ppm1 1.040 ppm2 0.182
ASSI ( attr store1 < 1.163 and attr store1 > 1.123 )
     ( attr store1 < 0.198 and attr store1 > 0.158 )
     6.0 0.1 0.1 peak 2580 volume 6.850e+02 ppm1 1.143 ppm2 0.178
ASSI ( resid 112 and name HG )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 2581 volume 4.445e+03 ppm1 1.151 ppm2 0.121
ASSI ( attr store1 < 1.488 and attr store1 > 1.448 )
     ( attr store1 < 0.144 and attr store1 > 0.104 )
     6.0 0.1 0.1 peak 2587 volume 0.000e+00 ppm1 1.468 ppm2 0.124
ASSI ( attr store1 < 1.396 and attr store1 > 1.356 )
     ( attr store1 < -0.013 and attr store1 > -0.053 )
     6.0 0.1 0.1 peak 2588 volume 4.970e+02 ppm1 1.376 ppm2 -0.033
ASSI ( attr store1 < 1.511 and attr store1 > 1.471 )
     ( attr store1 < -0.013 and attr store1 > -0.053 )
     6.0 0.1 0.1 peak 2589 volume 3.140e+02 ppm1 1.491 ppm2 -0.033
ASSI ( attr store1 < 1.593 and attr store1 > 1.553 )
     ( attr store1 < 0.142 and attr store1 > 0.102 )
     6.0 0.1 0.1 peak 2591 volume 1.737e+03 ppm1 1.573 ppm2 0.122
ASSI ( resid 67 and name HB )
     ( resid 67 and name hg1# )
     6.0 0.1 0.1 peak 2593 volume 0.000e+00 ppm1 1.613 ppm2 0.043
ASSI ( resid 67 and name HB )
     ( resid 67 and name hg2# )
     6.0 0.1 0.1 peak 2594 volume 0.000e+00 ppm1 1.613 ppm2 -0.022
ASSI ( attr store1 < 1.905 and attr store1 > 1.865 )
     ( attr store1 < -0.012 and attr store1 > -0.052 )
     6.0 0.1 0.1 peak 2595 volume 5.340e+02 ppm1 1.885 ppm2 -0.032
ASSI ( resid 112 and name HB2 )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 2596 volume 1.066e+03 ppm1 2.109 ppm2 0.123
ASSI ( resid 125 and name HB )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 2599 volume 6.670e+02 ppm1 2.246 ppm2 0.180
ASSI ( resid 76 and name HB2 )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2600 volume 4.120e+02 ppm1 1.893 ppm2 -0.193
ASSI ( resid 76 and name HB3 )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2601 volume 1.980e+02 ppm1 1.792 ppm2 -0.195
ASSI ( resid 76 and name hg# )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2602 volume 5.810e+02 ppm1 1.515 ppm2 -0.193
ASSI ( resid 64 and name HG )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 2606 volume 6.000e+02 ppm1 1.413 ppm2 -0.536
ASSI ( resid 64 and name HB2 )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 2610 volume 8.820e+02 ppm1 1.914 ppm2 -0.533
ASSI ( resid 86 and name HB3 )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 2612 volume 1.020e+03 ppm1 2.322 ppm2 -0.116
ASSI ( resid 86 and name HB3 )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2615 volume 2.560e+02 ppm1 2.324 ppm2 -0.190
ASSI ( resid 86 and name HB3 )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 2616 volume 2.600e+02 ppm1 2.327 ppm2 -0.320
ASSI ( resid 32 and name HB3 )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 2618 volume 5.040e+02 ppm1 2.718 ppm2 -0.536
ASSI ( resid 32 and name HB2 )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 2619 volume 9.260e+02 ppm1 2.850 ppm2 -0.537
ASSI ( resid 96 and name HB2 )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 2623 volume 0.000e+00 ppm1 2.901 ppm2 -0.313
ASSI ( resid 86 and name HB2 )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 2624 volume 4.660e+02 ppm1 2.647 ppm2 -0.314
ASSI ( resid 96 and name HB3 )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2625 volume 2.008e+03 ppm1 2.649 ppm2 -0.194
ASSI ( resid 86 and name HB2 )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 2626 volume 1.056e+03 ppm1 2.647 ppm2 -0.115
ASSI ( resid 96 and name HB2 )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2628 volume 1.914e+03 ppm1 2.903 ppm2 -0.194
ASSI ( resid 96 and name HB2 )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 2629 volume 0.000e+00 ppm1 2.903 ppm2 -0.118
ASSI ( resid 110 and name HB3 )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 2631 volume 8.134e+03 ppm1 2.571 ppm2 0.122
ASSI ( attr store1 < 2.867 and attr store1 > 2.827 )
     ( attr store1 < 0.2 and attr store1 > 0.16 )
     6.0 0.1 0.1 peak 2632 volume 7.060e+02 ppm1 2.847 ppm2 0.180
ASSI ( attr store1 < 2.874 and attr store1 > 2.834 )
     ( attr store1 < 0.145 and attr store1 > 0.105 )
     6.0 0.1 0.1 peak 2633 volume 2.840e+02 ppm1 2.854 ppm2 0.125
ASSI ( attr store1 < 3.043 and attr store1 > 3.003 )
     ( attr store1 < 0.201 and attr store1 > 0.161 )
     6.0 0.1 0.1 peak 2635 volume 1.588e+03 ppm1 3.023 ppm2 0.181
ASSI ( resid 125 and name HA )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 2639 volume 8.930e+02 ppm1 4.077 ppm2 0.183
ASSI ( resid 67 and name HA )
     ( resid 67 and name hg1# )
     6.0 0.1 0.1 peak 2641 volume 0.000e+00 ppm1 4.337 ppm2 0.043
ASSI ( attr store1 < 4.32 and attr store1 > 4.28 )
     ( attr store1 < -0.515 and attr store1 > -0.555 )
     6.0 0.1 0.1 peak 2644 volume 4.660e+02 ppm1 4.300 ppm2 -0.535
ASSI ( attr store1 < 4.502 and attr store1 > 4.462 )
     ( attr store1 < -0.518 and attr store1 > -0.558 )
     6.0 0.1 0.1 peak 2645 volume 6.550e+02 ppm1 4.482 ppm2 -0.538
ASSI ( attr store1 < 4.498 and attr store1 > 4.458 )
     ( attr store1 < -0.297 and attr store1 > -0.337 )
     6.0 0.1 0.1 peak 2646 volume 7.770e+02 ppm1 4.478 ppm2 -0.317
ASSI ( attr store1 < 4.498 and attr store1 > 4.458 )
     ( attr store1 < -0.096 and attr store1 > -0.136 )
     6.0 0.1 0.1 peak 2647 volume 2.930e+02 ppm1 4.478 ppm2 -0.116
ASSI ( attr store1 < 4.586 and attr store1 > 4.546 )
     ( attr store1 < -0.177 and attr store1 > -0.217 )
     6.0 0.1 0.1 peak 2648 volume 1.750e+02 ppm1 4.566 ppm2 -0.197
ASSI ( attr store1 < 5.048 and attr store1 > 5.008 )
     ( attr store1 < 0.137 and attr store1 > 0.097 )
     6.0 0.1 0.1 peak 2657 volume 2.020e+02 ppm1 5.028 ppm2 0.117
ASSI ( resid 112 and name HA )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 2658 volume 5.640e+02 ppm1 5.108 ppm2 0.121
ASSI ( resid 99 and name HA )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 2659 volume 5.950e+02 ppm1 5.236 ppm2 0.121
ASSI ( resid 112 and name HA )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 2661 volume 0.000e+00 ppm1 5.106 ppm2 -0.031
ASSI ( resid 114 and name HA )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 2662 volume 2.723e+03 ppm1 5.275 ppm2 -0.030
ASSI ( resid 110 and name HA )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 2663 volume 3.440e+02 ppm1 5.463 ppm2 0.120
ASSI ( resid 98 and name HA )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2664 volume 1.022e+04 ppm1 5.211 ppm2 -0.191
ASSI ( resid 47 and name HA )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 2665 volume 1.904e+03 ppm1 5.585 ppm2 -0.032
ASSI ( resid 96 and name HA )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 2667 volume 4.920e+02 ppm1 5.742 ppm2 -0.533
ASSI ( resid 96 and name HA )
     ( resid 63 and name hd2# )
     6.0 0.1 0.1 peak 2668 volume 0.000e+00 ppm1 5.742 ppm2 -0.194
ASSI ( resid 59 and name HA )
     ( resid 100 and name hg2# )
     6.0 0.1 0.1 peak 2717 volume 5.290e+02 ppm1 5.446 ppm2 0.453
ASSI ( attr store1 < 5.457 and attr store1 > 5.417 )
     ( attr store1 < 0.746 and attr store1 > 0.706 )
     6.0 0.1 0.1 peak 2719 volume 6.470e+02 ppm1 5.437 ppm2 0.726
ASSI ( attr store1 < 5.284 and attr store1 > 5.244 )
     ( attr store1 < 0.762 and attr store1 > 0.722 )
     6.0 0.1 0.1 peak 2720 volume 8.340e+02 ppm1 5.264 ppm2 0.742
ASSI ( attr store1 < 5.459 and attr store1 > 5.419 )
     ( attr store1 < 0.925 and attr store1 > 0.885 )
     6.0 0.1 0.1 peak 2722 volume 2.092e+03 ppm1 5.439 ppm2 0.905
ASSI ( attr store1 < 5.286 and attr store1 > 5.246 )
     ( attr store1 < 0.875 and attr store1 > 0.835 )
     6.0 0.1 0.1 peak 2723 volume 1.019e+03 ppm1 5.266 ppm2 0.855
ASSI ( attr store1 < 4.99 and attr store1 > 4.95 )
     ( attr store1 < 0.927 and attr store1 > 0.887 )
     6.0 0.1 0.1 peak 2724 volume 1.756e+03 ppm1 4.970 ppm2 0.907
ASSI ( attr store1 < 5.038 and attr store1 > 4.998 )
     ( attr store1 < 0.875 and attr store1 > 0.835 )
     6.0 0.1 0.1 peak 2725 volume 1.782e+03 ppm1 5.018 ppm2 0.855
ASSI ( resid 116 and name HA )
     ( resid 116 and name hg2# )
     6.0 0.1 0.1 peak 2726 volume 0.000e+00 ppm1 4.882 ppm2 0.864
ASSI ( attr store1 < 4.779 and attr store1 > 4.739 )
     ( attr store1 < 0.907 and attr store1 > 0.867 )
     6.0 0.1 0.1 peak 2728 volume 2.667e+03 ppm1 4.759 ppm2 0.887
ASSI ( attr store1 < 4.71 and attr store1 > 4.67 )
     ( attr store1 < 0.89 and attr store1 > 0.85 )
     6.0 0.1 0.1 peak 2729 volume 3.256e+03 ppm1 4.690 ppm2 0.870
ASSI ( attr store1 < 4.698 and attr store1 > 4.658 )
     ( attr store1 < 0.922 and attr store1 > 0.882 )
     6.0 0.1 0.1 peak 2730 volume 4.259e+03 ppm1 4.678 ppm2 0.902
ASSI ( resid 62 and name HA )
     ( resid 62 and name hd1# )
     6.0 0.1 0.1 peak 2731 volume 0.000e+00 ppm1 4.586 ppm2 0.908
ASSI ( attr store1 < 5.129 and attr store1 > 5.089 )
     ( attr store1 < 0.773 and attr store1 > 0.733 )
     6.0 0.1 0.1 peak 2732 volume 8.010e+02 ppm1 5.109 ppm2 0.753
ASSI ( attr store1 < 5.034 and attr store1 > 4.994 )
     ( attr store1 < 0.743 and attr store1 > 0.703 )
     6.0 0.1 0.1 peak 2733 volume 2.628e+03 ppm1 5.014 ppm2 0.723
ASSI ( resid 33 and name HA )
     ( resid 33 and name HG13 )
     6.0 0.1 0.1 peak 2737 volume 0.000e+00 ppm1 4.707 ppm2 0.711
ASSI ( attr store1 < 5.015 and attr store1 > 4.975 )
     ( attr store1 < 0.48 and attr store1 > 0.44 )
     6.0 0.1 0.1 peak 2739 volume 1.910e+03 ppm1 4.995 ppm2 0.460
ASSI ( resid 101 and name HA )
     ( resid 100 and name hg2# )
     6.0 0.1 0.1 peak 2740 volume 5.480e+02 ppm1 4.882 ppm2 0.453
ASSI ( resid 101 and name HA )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 2741 volume 1.339e+03 ppm1 4.884 ppm2 0.577
ASSI ( attr store1 < 4.797 and attr store1 > 4.757 )
     ( attr store1 < 0.612 and attr store1 > 0.572 )
     6.0 0.1 0.1 peak 2742 volume 2.232e+03 ppm1 4.777 ppm2 0.592
ASSI ( attr store1 < 4.798 and attr store1 > 4.758 )
     ( attr store1 < 0.511 and attr store1 > 0.471 )
     6.0 0.1 0.1 peak 2743 volume 4.345e+03 ppm1 4.778 ppm2 0.491
ASSI ( attr store1 < 4.436 and attr store1 > 4.396 )
     ( attr store1 < 0.564 and attr store1 > 0.524 )
     6.0 0.1 0.1 peak 2745 volume 7.610e+02 ppm1 4.416 ppm2 0.544
ASSI ( resid 86 and name HA )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 2746 volume 7.870e+02 ppm1 4.650 ppm2 0.263
ASSI ( attr store1 < 4.446 and attr store1 > 4.406 )
     ( attr store1 < 0.684 and attr store1 > 0.644 )
     6.0 0.1 0.1 peak 2748 volume 6.146e+03 ppm1 4.426 ppm2 0.664
ASSI ( attr store1 < 4.339 and attr store1 > 4.299 )
     ( attr store1 < 0.591 and attr store1 > 0.551 )
     6.0 0.1 0.1 peak 2749 volume 7.510e+02 ppm1 4.319 ppm2 0.571
ASSI ( attr store1 < 4.142 and attr store1 > 4.102 )
     ( attr store1 < 0.617 and attr store1 > 0.577 )
     6.0 0.1 0.1 peak 2750 volume 2.590e+02 ppm1 4.122 ppm2 0.597
ASSI ( resid 83 and name HA )
     ( resid 49 and name hg2# )
     6.0 0.1 0.1 peak 2751 volume 4.431e+03 ppm1 4.124 ppm2 0.472
ASSI ( attr store1 < 4.315 and attr store1 > 4.275 )
     ( attr store1 < 0.762 and attr store1 > 0.722 )
     6.0 0.1 0.1 peak 2754 volume 1.615e+03 ppm1 4.295 ppm2 0.742
ASSI ( attr store1 < 4.117 and attr store1 > 4.077 )
     ( attr store1 < 0.769 and attr store1 > 0.729 )
     6.0 0.1 0.1 peak 2757 volume 2.374e+03 ppm1 4.097 ppm2 0.749
ASSI ( resid 16 and name HD2 )
     ( resid 15 and name hg2# )
     6.0 0.1 0.1 peak 2762 volume 0.000e+00 ppm1 3.872 ppm2 0.947
ASSI ( resid 52 and name HB2 )
     ( resid 80 and name hg2# )
     6.0 0.1 0.1 peak 2763 volume 4.371e+03 ppm1 3.967 ppm2 0.888
ASSI ( resid 16 and name HD2 )
     ( resid 15 and name hd1# )
     6.0 0.1 0.1 peak 2765 volume 0.000e+00 ppm1 3.869 ppm2 0.798
ASSI ( attr store1 < 3.825 and attr store1 > 3.785 )
     ( attr store1 < 0.682 and attr store1 > 0.642 )
     6.0 0.1 0.1 peak 2766 volume 5.540e+02 ppm1 3.805 ppm2 0.662
ASSI ( resid 49 and name HA )
     ( resid 61 and name hd2# )
     6.0 0.1 0.1 peak 2767 volume 2.028e+03 ppm1 3.768 ppm2 0.592
ASSI ( resid 80 and name HA )
     ( resid 50 and name hd2# )
     6.0 0.1 0.1 peak 2769 volume 2.482e+03 ppm1 3.588 ppm2 0.727
ASSI ( resid 16 and name HD3 )
     ( resid 15 and name hd1# )
     6.0 0.1 0.1 peak 2770 volume 0.000e+00 ppm1 3.689 ppm2 0.796
ASSI ( attr store1 < 3.608 and attr store1 > 3.568 )
     ( attr store1 < 0.486 and attr store1 > 0.446 )
     6.0 0.1 0.1 peak 2773 volume 0.000e+00 ppm1 3.588 ppm2 0.466
ASSI ( resid 71 and name HA2 )
     ( resid 131 and name hg1# )
     6.0 0.1 0.1 peak 2774 volume 4.280e+02 ppm1 3.611 ppm2 0.840
ASSI ( resid 16 and name HD3 )
     ( resid 15 and name hg2# )
     6.0 0.1 0.1 peak 2775 volume 0.000e+00 ppm1 3.689 ppm2 0.946
ASSI ( resid 52 and name HB3 )
     ( resid 80 and name hg2# )
     6.0 0.1 0.1 peak 2778 volume 4.464e+03 ppm1 3.411 ppm2 0.888
ASSI ( attr store1 < 3.327 and attr store1 > 3.287 )
     ( attr store1 < 0.761 and attr store1 > 0.721 )
     6.0 0.1 0.1 peak 2779 volume 3.825e+03 ppm1 3.307 ppm2 0.741
ASSI ( resid 102 and name HB2 )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 2780 volume 1.934e+03 ppm1 3.307 ppm2 0.578
ASSI ( resid 76 and name he# )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 2783 volume 3.350e+02 ppm1 3.257 ppm2 0.264
ASSI ( resid 86 and name HB3 )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 2785 volume 1.780e+03 ppm1 2.328 ppm2 0.263
ASSI ( resid 86 and name HB2 )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 2788 volume 2.181e+03 ppm1 2.642 ppm2 0.263
ASSI ( resid 32 and name HB3 )
     ( resid 97 and name hg1# )
     6.0 0.1 0.1 peak 2789 volume 2.042e+03 ppm1 2.714 ppm2 0.412
ASSI ( resid 32 and name HB2 )
     ( resid 97 and name hg1# )
     6.0 0.1 0.1 peak 2790 volume 4.453e+03 ppm1 2.853 ppm2 0.413
ASSI ( attr store1 < 3.001 and attr store1 > 2.961 )
     ( attr store1 < 0.464 and attr store1 > 0.424 )
     6.0 0.1 0.1 peak 2791 volume 1.670e+03 ppm1 2.981 ppm2 0.444
ASSI ( attr store1 < 3.001 and attr store1 > 2.961 )
     ( attr store1 < 0.52 and attr store1 > 0.48 )
     6.0 0.1 0.1 peak 2792 volume 9.350e+02 ppm1 2.981 ppm2 0.500
ASSI ( attr store1 < 2.88 and attr store1 > 2.84 )
     ( attr store1 < 0.523 and attr store1 > 0.483 )
     6.0 0.1 0.1 peak 2793 volume 2.101e+03 ppm1 2.860 ppm2 0.503
ASSI ( resid 72 and name HB3 )
     ( resid 64 and name hd2# )
     6.0 0.1 0.1 peak 2794 volume 2.036e+03 ppm1 2.828 ppm2 0.553
ASSI ( attr store1 < 3.0 and attr store1 > 2.96 )
     ( attr store1 < 0.591 and attr store1 > 0.551 )
     6.0 0.1 0.1 peak 2797 volume 6.600e+02 ppm1 2.980 ppm2 0.571
ASSI ( resid 110 and name HB3 )
     ( resid 100 and name hg2# )
     6.0 0.1 0.1 peak 2798 volume 5.109e+03 ppm1 2.573 ppm2 0.454
ASSI ( attr store1 < 2.72 and attr store1 > 2.68 )
     ( attr store1 < 0.487 and attr store1 > 0.447 )
     6.0 0.1 0.1 peak 2799 volume 6.820e+02 ppm1 2.700 ppm2 0.467
ASSI ( resid 78 and name HB2 )
     ( resid 61 and name hd2# )
     6.0 0.1 0.1 peak 2800 volume 8.130e+02 ppm1 3.132 ppm2 0.596
ASSI ( resid 72 and name HB3 )
     ( resid 131 and name hg2# )
     6.0 0.1 0.1 peak 2802 weight 0.100e+02 volume 4.005e+03 ppm1 2.833 ppm2 0.742
ASSI ( attr store1 < 2.851 and attr store1 > 2.811 )
     ( attr store1 < 0.72 and attr store1 > 0.68 )
     6.0 0.1 0.1 peak 2803 volume 0.000e+00 ppm1 2.831 ppm2 0.700
ASSI ( resid 113 and name HB2 )
     ( resid 49 and name hg1# )
     6.0 0.1 0.1 peak 2804 volume 0.000e+00 ppm1 2.692 ppm2 0.744
ASSI ( resid 78 and name HB2 )
     ( resid 61 and name hd1# )
     6.0 0.1 0.1 peak 2806 volume 1.993e+03 ppm1 3.134 ppm2 0.909
ASSI ( resid 72 and name HB2 )
     ( resid 131 and name hg1# )
     6.0 0.1 0.1 peak 2810 weight 0.100e+02 volume 2.107e+03 ppm1 2.906 ppm2 0.841
ASSI ( resid 72 and name HB3 )
     ( resid 131 and name hg1# )
     6.0 0.1 0.1 peak 2811 weight 0.100e+02 volume 1.739e+03 ppm1 2.833 ppm2 0.842
ASSI ( attr store1 < 2.851 and attr store1 > 2.811 )
     ( attr store1 < 0.985 and attr store1 > 0.945 )
     6.0 0.1 0.1 peak 2812 volume 1.166e+03 ppm1 2.831 ppm2 0.965
ASSI ( attr store1 < 2.662 and attr store1 > 2.622 )
     ( attr store1 < 0.929 and attr store1 > 0.889 )
     6.0 0.1 0.1 peak 2814 volume 7.760e+02 ppm1 2.642 ppm2 0.909
ASSI ( resid 78 and name HB3 )
     ( resid 61 and name hd1# )
     6.0 0.1 0.1 peak 2818 volume 1.917e+03 ppm1 2.433 ppm2 0.908
ASSI ( resid 116 and name HB )
     ( resid 116 and name hg2# )
     6.0 0.1 0.1 peak 2819 volume 0.000e+00 ppm1 2.500 ppm2 0.869
ASSI ( resid 113 and name HB3 )
     ( resid 49 and name hg1# )
     6.0 0.1 0.1 peak 2821 volume 0.000e+00 ppm1 2.389 ppm2 0.745
ASSI ( attr store1 < 2.395 and attr store1 > 2.355 )
     ( attr store1 < 0.815 and attr store1 > 0.775 )
     6.0 0.1 0.1 peak 2822 volume 8.230e+02 ppm1 2.375 ppm2 0.795
ASSI ( resid 102 and name HB3 )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 2825 volume 2.928e+03 ppm1 2.420 ppm2 0.576
ASSI ( attr store1 < 2.189 and attr store1 > 2.149 )
     ( attr store1 < 0.876 and attr store1 > 0.836 )
     6.0 0.1 0.1 peak 2829 volume 8.305e+03 ppm1 2.169 ppm2 0.856
ASSI ( attr store1 < 2.085 and attr store1 > 2.045 )
     ( attr store1 < 0.909 and attr store1 > 0.869 )
     6.0 0.1 0.1 peak 2830 volume 0.000e+00 ppm1 2.065 ppm2 0.889
ASSI ( attr store1 < 2.189 and attr store1 > 2.149 )
     ( attr store1 < 0.684 and attr store1 > 0.644 )
     6.0 0.1 0.1 peak 2832 volume 1.133e+03 ppm1 2.169 ppm2 0.664
ASSI ( attr store1 < 2.088 and attr store1 > 2.048 )
     ( attr store1 < 0.596 and attr store1 > 0.556 )
     6.0 0.1 0.1 peak 2833 volume 2.684e+03 ppm1 2.068 ppm2 0.576
ASSI ( resid 76 and name HB2 )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 2835 volume 1.249e+03 ppm1 1.887 ppm2 0.264
ASSI ( resid 76 and name HB3 )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 2836 volume 8.630e+02 ppm1 1.787 ppm2 0.264
ASSI ( resid 76 and name hg# )
     ( resid 63 and name hd1# )
     6.0 0.1 0.1 peak 2837 volume 1.231e+03 ppm1 1.509 ppm2 0.264
ASSI ( attr store1 < 0.923 and attr store1 > 0.883 )
     ( attr store1 < 0.284 and attr store1 > 0.244 )
     6.0 0.1 0.1 peak 2839 volume 5.584e+03 ppm1 0.903 ppm2 0.264
ASSI ( attr store1 < 1.932 and attr store1 > 1.892 )
     ( attr store1 < 0.433 and attr store1 > 0.393 )
     6.0 0.1 0.1 peak 2842 volume 1.227e+03 ppm1 1.912 ppm2 0.413
ASSI ( attr store1 < 1.791 and attr store1 > 1.751 )
     ( attr store1 < 0.431 and attr store1 > 0.391 )
     6.0 0.1 0.1 peak 2843 volume 9.010e+02 ppm1 1.771 ppm2 0.411
ASSI ( attr store1 < 1.791 and attr store1 > 1.751 )
     ( attr store1 < 0.568 and attr store1 > 0.528 )
     6.0 0.1 0.1 peak 2844 volume 5.689e+03 ppm1 1.771 ppm2 0.548
ASSI ( resid 15 and name HB )
     ( resid 15 and name hg2# )
     6.0 0.1 0.1 peak 2848 volume 0.000e+00 ppm1 1.836 ppm2 0.950
ASSI ( resid 33 and name HG12 )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 2850 volume 0.000e+00 ppm1 1.296 ppm2 0.505
ASSI ( resid 50 and name hd1# )
     ( resid 112 and name hd1# )
     6.0 0.1 0.1 peak 2852 volume 8.510e+03 ppm1 1.031 ppm2 0.495
ASSI ( resid 50 and name hd1# )
     ( resid 112 and name hd2# )
     6.0 0.1 0.1 peak 2853 volume 8.975e+03 ppm1 1.026 ppm2 0.453
ASSI ( attr store1 < 1.157 and attr store1 > 1.117 )
     ( attr store1 < 0.465 and attr store1 > 0.425 )
     6.0 0.1 0.1 peak 2854 volume 0.000e+00 ppm1 1.137 ppm2 0.445
ASSI ( resid 77 and name HB2 )
     ( resid 60 and name hg2# )
     6.0 0.1 0.1 peak 2857 volume 2.056e+03 ppm1 2.040 ppm2 1.246
ASSI ( resid 59 and name he# )
     ( resid 25 and name hg2# )
     6.0 0.1 0.1 peak 2859 volume 4.357e+03 ppm1 2.068 ppm2 1.063
ASSI ( resid 59 and name he# )
     ( resid 57 and name hb# )
     6.0 0.1 0.1 peak 2862 volume 1.015e+04 ppm1 2.072 ppm2 1.520
ASSI ( resid 78 and name HB3 )
     ( resid 82 and name HG3 )
     6.0 0.1 0.1 peak 2866 volume 1.263e+03 ppm1 2.444 ppm2 1.377
ASSI ( resid 116 and name HB )
     ( resid 116 and name hg1# )
     6.0 0.1 0.1 peak 2870 volume 0.000e+00 ppm1 2.499 ppm2 1.186
ASSI ( attr store1 < 2.622 and attr store1 > 2.582 )
     ( attr store1 < 1.204 and attr store1 > 1.164 )
     6.0 0.1 0.1 peak 2871 volume 5.190e+02 ppm1 2.602 ppm2 1.184
ASSI ( attr store1 < 2.491 and attr store1 > 2.451 )
     ( attr store1 < 1.126 and attr store1 > 1.086 )
     6.0 0.1 0.1 peak 2872 volume 7.840e+02 ppm1 2.471 ppm2 1.106
ASSI ( resid 102 and name HB3 )
     ( resid 25 and name hg2# )
     6.0 0.1 0.1 peak 2873 volume 2.703e+03 ppm1 2.421 ppm2 1.064
ASSI ( resid 110 and name HB3 )
     ( resid 50 and name hd1# )
     6.0 0.1 0.1 peak 2875 volume 2.050e+03 ppm1 2.565 ppm2 1.011
ASSI ( resid 59 and name HB3 )
     ( resid 57 and name hb# )
     6.0 0.1 0.1 peak 2877 volume 2.215e+03 ppm1 2.507 ppm2 1.518
ASSI ( resid 78 and name HB3 )
     ( resid 82 and name HG2 )
     6.0 0.1 0.1 peak 2878 volume 1.055e+03 ppm1 2.445 ppm2 1.512
ASSI ( attr store1 < 2.449 and attr store1 > 2.409 )
     ( attr store1 < 1.636 and attr store1 > 1.596 )
     6.0 0.1 0.1 peak 2879 volume 8.420e+02 ppm1 2.429 ppm2 1.616
ASSI ( resid 78 and name HB3 )
     ( resid 82 and name HD3 )
     6.0 0.1 0.1 peak 2880 volume 2.660e+03 ppm1 2.444 ppm2 1.720
ASSI ( resid 59 and name HB2 )
     ( resid 57 and name hb# )
     6.0 0.1 0.1 peak 2881 volume 9.400e+02 ppm1 2.704 ppm2 1.517
ASSI ( resid 120 and name he# )
     ( resid 120 and name hg# )
     6.0 0.1 0.1 peak 2885 volume 0.000e+00 ppm1 2.803 ppm2 1.266
ASSI ( attr store1 < 2.845 and attr store1 > 2.805 )
     ( attr store1 < 1.112 and attr store1 > 1.072 )
     6.0 0.1 0.1 peak 2888 volume 2.220e+02 ppm1 2.825 ppm2 1.092
ASSI ( attr store1 < 2.889 and attr store1 > 2.849 )
     ( attr store1 < 1.35 and attr store1 > 1.31 )
     6.0 0.1 0.1 peak 2890 volume 2.422e+03 ppm1 2.869 ppm2 1.330
ASSI ( attr store1 < 2.96 and attr store1 > 2.92 )
     ( attr store1 < 1.35 and attr store1 > 1.31 )
     6.0 0.1 0.1 peak 2891 volume 2.309e+03 ppm1 2.940 ppm2 1.330
ASSI ( attr store1 < 2.951 and attr store1 > 2.911 )
     ( attr store1 < 1.395 and attr store1 > 1.355 )
     6.0 0.1 0.1 peak 2892 volume 2.201e+03 ppm1 2.931 ppm2 1.375
ASSI ( attr store1 < 3.028 and attr store1 > 2.988 )
     ( attr store1 < 1.536 and attr store1 > 1.496 )
     6.0 0.1 0.1 peak 2894 volume 4.823e+03 ppm1 3.008 ppm2 1.516
ASSI ( resid 82 and name he# )
     ( resid 82 and name HG3 )
     6.0 0.1 0.1 peak 2900 volume 2.542e+03 ppm1 3.118 ppm2 1.376
ASSI ( attr store1 < 3.143 and attr store1 > 3.103 )
     ( attr store1 < 1.266 and attr store1 > 1.226 )
     6.0 0.1 0.1 peak 2901 volume 2.890e+02 ppm1 3.123 ppm2 1.246
ASSI ( attr store1 < 3.046 and attr store1 > 3.006 )
     ( attr store1 < 1.202 and attr store1 > 1.162 )
     6.0 0.1 0.1 peak 2902 volume 6.280e+02 ppm1 3.026 ppm2 1.182
ASSI ( attr store1 < 3.029 and attr store1 > 2.989 )
     ( attr store1 < 1.12 and attr store1 > 1.08 )
     6.0 0.1 0.1 peak 2903 volume 5.940e+02 ppm1 3.009 ppm2 1.100
ASSI ( resid 110 and name HB2 )
     ( resid 50 and name hd1# )
     6.0 0.1 0.1 peak 2904 volume 0.000e+00 ppm1 3.007 ppm2 1.015
ASSI ( resid 79 and name HB2 )
     ( resid 80 and name hg1# )
     6.0 0.1 0.1 peak 2906 volume 0.000e+00 ppm1 3.118 ppm2 1.053
ASSI ( attr store1 < 3.05 and attr store1 > 3.01 )
     ( attr store1 < 1.07 and attr store1 > 1.03 )
     6.0 0.1 0.1 peak 2907 volume 1.522e+03 ppm1 3.030 ppm2 1.050
ASSI ( attr store1 < 2.761 and attr store1 > 2.721 )
     ( attr store1 < 1.045 and attr store1 > 1.005 )
     6.0 0.1 0.1 peak 2908 volume 9.260e+02 ppm1 2.741 ppm2 1.025
ASSI ( resid 76 and name he# )
     ( resid 76 and name hd# )
     6.0 0.1 0.1 peak 2909 volume 0.000e+00 ppm1 3.256 ppm2 1.622
ASSI ( resid 76 and name he# )
     ( resid 76 and name hg# )
     6.0 0.1 0.1 peak 2911 volume 0.000e+00 ppm1 3.253 ppm2 1.512
ASSI ( resid 102 and name HB2 )
     ( resid 25 and name hg2# )
     6.0 0.1 0.1 peak 2914 volume 1.608e+03 ppm1 3.307 ppm2 1.062
ASSI ( resid 81 and name HB2 )
     ( resid 80 and name hg1# )
     6.0 0.1 0.1 peak 2915 volume 0.000e+00 ppm1 3.236 ppm2 1.054
ASSI ( resid 80 and name HA )
     ( resid 80 and name hd1# )
     6.0 0.1 0.1 peak 2917 volume 5.598e+03 ppm1 3.587 ppm2 1.458
ASSI ( resid 52 and name HB3 )
     ( resid 57 and name hb# )
     6.0 0.1 0.1 peak 2918 volume 4.056e+03 ppm1 3.415 ppm2 1.518
ASSI ( attr store1 < 3.607 and attr store1 > 3.567 )
     ( attr store1 < 1.535 and attr store1 > 1.495 )
     6.0 0.1 0.1 peak 2920 volume 1.855e+03 ppm1 3.587 ppm2 1.515
ASSI ( attr store1 < 3.729 and attr store1 > 3.689 )
     ( attr store1 < 1.537 and attr store1 > 1.497 )
     6.0 0.1 0.1 peak 2921 volume 5.070e+02 ppm1 3.709 ppm2 1.517
ASSI ( attr store1 < 3.789 and attr store1 > 3.749 )
     ( attr store1 < 1.52 and attr store1 > 1.48 )
     6.0 0.1 0.1 peak 2922 volume 2.450e+02 ppm1 3.769 ppm2 1.500
ASSI ( attr store1 < 3.785 and attr store1 > 3.745 )
     ( attr store1 < 1.497 and attr store1 > 1.457 )
     6.0 0.1 0.1 peak 2923 volume 2.520e+02 ppm1 3.765 ppm2 1.477
ASSI ( resid 83 and name HD3 )
     ( resid 82 and name HG3 )
     6.0 0.1 0.1 peak 2924 volume 0.000e+00 ppm1 3.765 ppm2 1.368
ASSI ( resid 24 and name HB )
     ( resid 107 and name hg2# )
     6.0 0.1 0.1 peak 2925 volume 3.550e+03 ppm1 3.816 ppm2 1.107
ASSI ( attr store1 < 3.683 and attr store1 > 3.643 )
     ( attr store1 < 1.1 and attr store1 > 1.06 )
     6.0 0.1 0.1 peak 2926 volume 3.936e+03 ppm1 3.663 ppm2 1.080
ASSI ( resid 83 and name HD2 )
     ( resid 82 and name HG3 )
     6.0 0.1 0.1 peak 2929 volume 0.000e+00 ppm1 3.994 ppm2 1.370
ASSI ( attr store1 < 4.215 and attr store1 > 4.175 )
     ( attr store1 < 1.4 and attr store1 > 1.36 )
     6.0 0.1 0.1 peak 2931 volume 1.506e+03 ppm1 4.195 ppm2 1.380
ASSI ( attr store1 < 4.197 and attr store1 > 4.157 )
     ( attr store1 < 1.523 and attr store1 > 1.483 )
     6.0 0.1 0.1 peak 2934 volume 2.524e+03 ppm1 4.177 ppm2 1.503
ASSI ( resid 115 and name HB )
     ( resid 115 and name hg2# )
     6.0 0.1 0.1 peak 2935 volume 0.000e+00 ppm1 4.285 ppm2 1.327
ASSI ( resid 120 and name HA )
     ( resid 120 and name hg# )
     6.0 0.1 0.1 peak 2938 volume 0.000e+00 ppm1 4.347 ppm2 1.265
ASSI ( resid 53 and name HA )
     ( resid 53 and name hg2# )
     6.0 0.1 0.1 peak 2940 volume 0.000e+00 ppm1 4.248 ppm2 1.181
ASSI ( attr store1 < 4.338 and attr store1 > 4.298 )
     ( attr store1 < 1.697 and attr store1 > 1.657 )
     6.0 0.1 0.1 peak 2943 volume 4.584e+03 ppm1 4.318 ppm2 1.677
ASSI ( resid 83 and name HA )
     ( resid 49 and name HB )
     6.0 0.1 0.1 peak 2944 volume 2.847e+03 ppm1 4.125 ppm2 1.580
ASSI ( resid 52 and name HB2 )
     ( resid 57 and name hb# )
     6.0 0.1 0.1 peak 2945 volume 5.735e+03 ppm1 3.963 ppm2 1.517
ASSI ( attr store1 < 4.595 and attr store1 > 4.555 )
     ( attr store1 < 1.057 and attr store1 > 1.017 )
     6.0 0.1 0.1 peak 2948 volume 0.000e+00 ppm1 4.575 ppm2 1.037
ASSI ( resid 33 and name HA )
     ( resid 33 and name HG12 )
     6.0 0.1 0.1 peak 2950 volume 0.000e+00 ppm1 4.707 ppm2 1.294
ASSI ( attr store1 < 4.619 and attr store1 > 4.579 )
     ( attr store1 < 1.345 and attr store1 > 1.305 )
     6.0 0.1 0.1 peak 2951 volume 2.242e+03 ppm1 4.599 ppm2 1.325
ASSI ( attr store1 < 4.762 and attr store1 > 4.722 )
     ( attr store1 < 1.197 and attr store1 > 1.157 )
     6.0 0.1 0.1 peak 2952 volume 6.620e+03 ppm1 4.742 ppm2 1.177
ASSI ( resid 116 and name HA )
     ( resid 116 and name hg1# )
     6.0 0.1 0.1 peak 2955 volume 0.000e+00 ppm1 4.879 ppm2 1.186
ASSI ( resid 111 and name HA )
     ( resid 22 and name hg2# )
     6.0 0.1 0.1 peak 2956 volume 4.965e+03 ppm1 5.128 ppm2 1.078
ASSI ( resid 112 and name HA )
     ( resid 50 and name hd1# )
     6.0 0.1 0.1 peak 2957 volume 2.101e+03 ppm1 5.110 ppm2 1.012
ASSI ( resid 50 and name HA )
     ( resid 50 and name hd1# )
     6.0 0.1 0.1 peak 2959 volume 0.000e+00 ppm1 4.776 ppm2 1.014
ASSI ( attr store1 < 4.924 and attr store1 > 4.884 )
     ( attr store1 < 1.124 and attr store1 > 1.084 )
     6.0 0.1 0.1 peak 2960 volume 1.087e+03 ppm1 4.904 ppm2 1.104
ASSI ( resid 109 and name HA )
     ( resid 24 and name HB )
     6.0 0.1 0.1 peak 2961 volume 1.581e+03 ppm1 5.289 ppm2 3.814
ASSI ( resid 59 and name HA )
     ( resid 60 and name HB )
     6.0 0.1 0.1 peak 2962 volume 5.160e+02 ppm1 5.439 ppm2 3.614
ASSI ( attr store1 < 5.48 and attr store1 > 5.44 )
     ( attr store1 < 3.574 and attr store1 > 3.534 )
     6.0 0.1 0.1 peak 2963 volume 2.120e+02 ppm1 5.460 ppm2 3.554
ASSI ( resid 110 and name HA )
     ( resid 52 and name HB3 )
     6.0 0.1 0.1 peak 2964 volume 5.700e+02 ppm1 5.463 ppm2 3.416
ASSI ( attr store1 < 5.631 and attr store1 > 5.591 )
     ( attr store1 < 3.274 and attr store1 > 3.234 )
     6.0 0.1 0.1 peak 2965 volume 5.350e+02 ppm1 5.611 ppm2 3.254
ASSI ( attr store1 < 5.684 and attr store1 > 5.644 )
     ( attr store1 < 3.259 and attr store1 > 3.219 )
     6.0 0.1 0.1 peak 2966 volume 8.140e+02 ppm1 5.664 ppm2 3.239
ASSI ( attr store1 < 5.705 and attr store1 > 5.665 )
     ( attr store1 < 3.572 and attr store1 > 3.532 )
     6.0 0.1 0.1 peak 2967 volume 1.598e+03 ppm1 5.685 ppm2 3.552
ASSI ( resid 111 and name HA )
     ( resid 22 and name HB )
     6.0 0.1 0.1 peak 2968 volume 1.206e+03 ppm1 5.136 ppm2 3.980
ASSI ( resid 79 and name HA )
     ( resid 80 and name HA )
     6.0 0.1 0.1 peak 2969 volume 0.000e+00 ppm1 5.010 ppm2 3.586
ASSI ( resid 51 and name HA )
     ( resid 52 and name HB3 )
     6.0 0.1 0.1 peak 2970 volume 7.730e+02 ppm1 5.262 ppm2 3.415
ASSI ( resid 22 and name HA )
     ( resid 111 and name HB2 )
     6.0 0.1 0.1 peak 2971 volume 3.760e+02 ppm1 4.955 ppm2 3.660
ASSI ( resid 101 and name HA )
     ( resid 102 and name HB2 )
     6.0 0.1 0.1 peak 2972 volume 0.000e+00 ppm1 4.884 ppm2 3.302
ASSI ( resid 111 and name HA )
     ( resid 21 and name HB2 )
     6.0 0.1 0.1 peak 2973 volume 2.150e+02 ppm1 5.134 ppm2 3.253
ASSI ( resid 111 and name HA )
     ( resid 110 and name HB2 )
     6.0 0.1 0.1 peak 2974 volume 0.000e+00 ppm1 5.134 ppm2 3.008
ASSI ( resid 96 and name HA )
     ( resid 96 and name HB2 )
     6.0 0.1 0.1 peak 2975 volume 0.000e+00 ppm1 5.743 ppm2 2.895
ASSI ( attr store1 < 4.569 and attr store1 > 4.529 )
     ( attr store1 < 4.354 and attr store1 > 4.314 )
     6.0 0.1 0.1 peak 2977 volume 2.250e+02 ppm1 4.549 ppm2 4.334
ASSI ( resid 106 and name HA )
     ( resid 105 and name HB2 )
     6.0 0.1 0.1 peak 2978 volume 0.000e+00 ppm1 4.503 ppm2 3.996
ASSI ( attr store1 < 4.509 and attr store1 > 4.469 )
     ( attr store1 < 3.32 and attr store1 > 3.28 )
     6.0 0.1 0.1 peak 2981 volume 4.789e+03 ppm1 4.489 ppm2 3.300
ASSI ( attr store1 < 4.384 and attr store1 > 4.344 )
     ( attr store1 < 3.428 and attr store1 > 3.388 )
     6.0 0.1 0.1 peak 2984 volume 1.845e+03 ppm1 4.364 ppm2 3.408
ASSI ( resid 105 and name HA )
     ( resid 27 and name HA2 )
     6.0 0.1 0.1 peak 2985 volume 3.644e+03 ppm1 4.194 ppm2 3.410
ASSI ( resid 15 and name HA )
     ( resid 16 and name HD3 )
     6.0 0.1 0.1 peak 2986 volume 0.000e+00 ppm1 4.476 ppm2 3.683
ASSI ( attr store1 < 4.367 and attr store1 > 4.327 )
     ( attr store1 < 3.652 and attr store1 > 3.612 )
     6.0 0.1 0.1 peak 2987 volume 1.222e+03 ppm1 4.347 ppm2 3.632
ASSI ( resid 81 and name HA )
     ( resid 80 and name HA )
     6.0 0.1 0.1 peak 2988 volume 0.000e+00 ppm1 4.098 ppm2 3.583
ASSI ( attr store1 < 4.269 and attr store1 > 4.229 )
     ( attr store1 < 3.039 and attr store1 > 2.999 )
     6.0 0.1 0.1 peak 2990 volume 2.950e+02 ppm1 4.249 ppm2 3.019
ASSI ( resid 111 and name HB2 )
     ( resid 51 and name HB2 )
     6.0 0.1 0.1 peak 2992 volume 6.930e+02 ppm1 3.657 ppm2 3.334
ASSI ( resid 111 and name HB3 )
     ( resid 51 and name HB2 )
     6.0 0.1 0.1 peak 2993 volume 5.850e+02 ppm1 3.549 ppm2 3.334
ASSI ( resid 111 and name HB2 )
     ( resid 51 and name HB3 )
     6.0 0.1 0.1 peak 2994 volume 8.390e+02 ppm1 3.657 ppm2 3.087
ASSI ( attr store1 < 3.603 and attr store1 > 3.563 )
     ( attr store1 < 3.149 and attr store1 > 3.109 )
     6.0 0.1 0.1 peak 2995 volume 3.660e+02 ppm1 3.583 ppm2 3.129
ASSI ( resid 111 and name HB3 )
     ( resid 51 and name HB3 )
     6.0 0.1 0.1 peak 2996 volume 8.630e+02 ppm1 3.549 ppm2 3.087
ASSI ( resid 90 and name HB2 )
     ( resid 90 and name HB3 )
     6.0 0.1 0.1 peak 2999 volume 0.000e+00 ppm1 3.162 ppm2 2.966
ASSI ( resid 96 and name HA )
     ( resid 96 and name HB3 )
     6.0 0.1 0.1 peak 3001 volume 0.000e+00 ppm1 5.743 ppm2 2.650
ASSI ( resid 110 and name HA )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3004 volume 3.305e+03 ppm1 5.463 ppm2 2.070
ASSI ( attr store1 < 5.604 and attr store1 > 5.564 )
     ( attr store1 < 2.12 and attr store1 > 2.08 )
     6.0 0.1 0.1 peak 3005 volume 2.950e+02 ppm1 5.584 ppm2 2.100
ASSI ( attr store1 < 5.701 and attr store1 > 5.661 )
     ( attr store1 < 2.463 and attr store1 > 2.423 )
     6.0 0.1 0.1 peak 3006 volume 2.900e+02 ppm1 5.681 ppm2 2.443
ASSI ( resid 77 and name HA )
     ( resid 76 and name HB2 )
     6.0 0.1 0.1 peak 3007 volume 0.000e+00 ppm1 5.670 ppm2 1.865
ASSI ( resid 77 and name HA )
     ( resid 76 and name hd# )
     6.0 0.1 0.1 peak 3008 volume 0.000e+00 ppm1 5.670 ppm2 1.626
ASSI ( resid 77 and name HA )
     ( resid 76 and name hg# )
     6.0 0.1 0.1 peak 3009 volume 0.000e+00 ppm1 5.670 ppm2 1.527
ASSI ( attr store1 < 5.126 and attr store1 > 5.086 )
     ( attr store1 < 2.695 and attr store1 > 2.655 )
     6.0 0.1 0.1 peak 3013 volume 7.350e+02 ppm1 5.106 ppm2 2.675
ASSI ( resid 110 and name HB3 )
     ( resid 111 and name HA )
     6.0 0.1 0.1 peak 3014 volume 0.000e+00 ppm1 5.129 ppm2 2.562
ASSI ( resid 24 and name HA )
     ( resid 109 and name HB2 )
     6.0 0.1 0.1 peak 3015 volume 4.560e+02 ppm1 5.031 ppm2 2.598
ASSI ( resid 24 and name HA )
     ( resid 109 and name HB2 )
     6.0 0.1 0.1 peak 3016 volume 4.870e+02 ppm1 5.035 ppm2 2.836
ASSI ( resid 102 and name HA )
     ( resid 59 and name HB2 )
     6.0 0.1 0.1 peak 3017 volume 3.072e+03 ppm1 4.985 ppm2 2.698
ASSI ( resid 108 and name HA )
     ( resid 109 and name HB3 )
     6.0 0.1 0.1 peak 3018 volume 3.900e+02 ppm1 4.905 ppm2 2.606
ASSI ( resid 102 and name HA )
     ( resid 59 and name HB3 )
     6.0 0.1 0.1 peak 3019 volume 1.188e+03 ppm1 4.983 ppm2 2.518
ASSI ( attr store1 < 5.126 and attr store1 > 5.086 )
     ( attr store1 < 2.394 and attr store1 > 2.354 )
     6.0 0.1 0.1 peak 3020 volume 3.890e+02 ppm1 5.106 ppm2 2.374
ASSI ( attr store1 < 4.684 and attr store1 > 4.644 )
     ( attr store1 < 2.486 and attr store1 > 2.446 )
     6.0 0.1 0.1 peak 3021 volume 9.630e+02 ppm1 4.664 ppm2 2.466
ASSI ( attr store1 < 4.797 and attr store1 > 4.757 )
     ( attr store1 < 2.216 and attr store1 > 2.176 )
     6.0 0.1 0.1 peak 3023 volume 3.930e+02 ppm1 4.777 ppm2 2.196
ASSI ( resid 101 and name HA )
     ( resid 30 and name HG2 )
     6.0 0.1 0.1 peak 3024 volume 4.630e+02 ppm1 4.883 ppm2 2.170
ASSI ( attr store1 < 5.0 and attr store1 > 4.96 )
     ( attr store1 < 2.213 and attr store1 > 2.173 )
     6.0 0.1 0.1 peak 3025 volume 1.929e+03 ppm1 4.980 ppm2 2.193
ASSI ( resid 101 and name HA )
     ( resid 30 and name HG3 )
     6.0 0.1 0.1 peak 3026 volume 2.930e+02 ppm1 4.881 ppm2 2.119
ASSI ( resid 108 and name HA )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3027 volume 1.438e+03 ppm1 4.909 ppm2 2.072
ASSI ( attr store1 < 5.003 and attr store1 > 4.963 )
     ( attr store1 < 2.092 and attr store1 > 2.052 )
     6.0 0.1 0.1 peak 3028 volume 8.510e+02 ppm1 4.983 ppm2 2.072
ASSI ( resid 52 and name HA )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3029 volume 1.024e+03 ppm1 4.765 ppm2 2.072
ASSI ( resid 101 and name HA )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 3030 volume 5.680e+02 ppm1 4.880 ppm2 1.989
ASSI ( resid 104 and name hb# )
     ( resid 58 and name HB3 )
     6.0 0.1 0.1 peak 3031 volume 1.335e+03 ppm1 4.167 ppm2 2.519
ASSI ( resid 57 and name HA )
     ( resid 58 and name HB3 )
     6.0 0.1 0.1 peak 3033 volume 0.000e+00 ppm1 4.030 ppm2 2.517
ASSI ( resid 104 and name hb# )
     ( resid 58 and name HB2 )
     6.0 0.1 0.1 peak 3035 volume 1.652e+03 ppm1 4.169 ppm2 2.791
ASSI ( attr store1 < 4.319 and attr store1 > 4.279 )
     ( attr store1 < 2.927 and attr store1 > 2.887 )
     6.0 0.1 0.1 peak 3038 volume 6.460e+02 ppm1 4.299 ppm2 2.907
ASSI ( attr store1 < 3.367 and attr store1 > 3.327 )
     ( attr store1 < 2.816 and attr store1 > 2.776 )
     6.0 0.1 0.1 peak 3041 volume 6.070e+02 ppm1 3.347 ppm2 2.796
ASSI ( attr store1 < 3.324 and attr store1 > 3.284 )
     ( attr store1 < 2.724 and attr store1 > 2.684 )
     6.0 0.1 0.1 peak 3042 volume 7.490e+02 ppm1 3.304 ppm2 2.704
ASSI ( resid 29 and name HA2 )
     ( resid 26 and name hb# )
     6.0 0.1 0.1 peak 3043 volume 9.570e+02 ppm1 3.551 ppm2 2.466
ASSI ( attr store1 < 3.326 and attr store1 > 3.286 )
     ( attr store1 < 2.526 and attr store1 > 2.486 )
     6.0 0.1 0.1 peak 3044 volume 3.560e+02 ppm1 3.306 ppm2 2.506
ASSI ( resid 108 and name HB2 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3045 volume 5.945e+03 ppm1 3.705 ppm2 2.071
ASSI ( resid 108 and name HB3 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3046 volume 5.672e+03 ppm1 3.562 ppm2 2.072
ASSI ( resid 52 and name HB3 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3047 volume 2.546e+03 ppm1 3.414 ppm2 2.070
ASSI ( resid 60 and name HB )
     ( resid 101 and name HB2 )
     6.0 0.1 0.1 peak 3048 volume 2.679e+03 ppm1 3.611 ppm2 1.855
ASSI ( attr store1 < 3.019 and attr store1 > 2.979 )
     ( attr store1 < 2.311 and attr store1 > 2.271 )
     6.0 0.1 0.1 peak 3060 volume 6.710e+02 ppm1 2.999 ppm2 2.291
ASSI ( resid 110 and name HB2 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3061 volume 2.916e+03 ppm1 3.015 ppm2 2.070
ASSI ( attr store1 < 2.92 and attr store1 > 2.88 )
     ( attr store1 < 2.122 and attr store1 > 2.082 )
     6.0 0.1 0.1 peak 3062 volume 1.538e+03 ppm1 2.900 ppm2 2.102
ASSI ( attr store1 < 2.938 and attr store1 > 2.898 )
     ( attr store1 < 2.003 and attr store1 > 1.963 )
     6.0 0.1 0.1 peak 3063 volume 1.260e+03 ppm1 2.918 ppm2 1.983
ASSI ( resid 59 and name HB2 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3065 volume 0.000e+00 ppm1 2.701 ppm2 2.072
ASSI ( resid 110 and name HB3 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3066 weight 0.100e+02 volume 3.225e+03 ppm1 2.565 ppm2 2.072
ASSI ( resid 78 and name HB3 )
     ( resid 82 and name hb# )
     6.0 0.1 0.1 peak 3067 volume 8.680e+02 ppm1 2.443 ppm2 1.908
ASSI ( attr store1 < 2.849 and attr store1 > 2.809 )
     ( attr store1 < 2.744 and attr store1 > 2.704 )
     6.0 0.1 0.1 peak 3070 volume 1.911e+04 ppm1 2.829 ppm2 2.724
ASSI ( resid 77 and name HA )
     ( resid 60 and name hg2# )
     6.0 0.1 0.1 peak 3071 volume 3.418e+03 ppm1 5.671 ppm2 1.249
ASSI ( attr store1 < 5.637 and attr store1 > 5.597 )
     ( attr store1 < 1.293 and attr store1 > 1.253 )
     6.0 0.1 0.1 peak 3072 volume 2.155e+03 ppm1 5.617 ppm2 1.273
ASSI ( resid 59 and name HA )
     ( resid 60 and name hg2# )
     6.0 0.1 0.1 peak 3073 volume 2.650e+02 ppm1 5.443 ppm2 1.250
ASSI ( resid 99 and name HA )
     ( resid 100 and name HB )
     6.0 0.1 0.1 peak 3074 volume 0.000e+00 ppm1 5.250 ppm2 1.341
ASSI ( attr store1 < 5.623 and attr store1 > 5.583 )
     ( attr store1 < 1.2 and attr store1 > 1.16 )
     6.0 0.1 0.1 peak 3075 volume 2.473e+03 ppm1 5.603 ppm2 1.180
ASSI ( attr store1 < 5.631 and attr store1 > 5.591 )
     ( attr store1 < 1.159 and attr store1 > 1.119 )
     6.0 0.1 0.1 peak 3076 volume 1.191e+03 ppm1 5.611 ppm2 1.139
ASSI ( resid 77 and name HA )
     ( resid 62 and name hd1# )
     6.0 0.1 0.1 peak 3080 volume 4.266e+03 ppm1 5.669 ppm2 0.909
ASSI ( resid 77 and name HA )
     ( resid 62 and name hg1# )
     6.0 0.1 0.1 peak 3081 volume 4.206e+03 ppm1 5.665 ppm2 0.859
ASSI ( attr store1 < 5.635 and attr store1 > 5.595 )
     ( attr store1 < 0.764 and attr store1 > 0.724 )
     6.0 0.1 0.1 peak 3082 volume 5.028e+03 ppm1 5.615 ppm2 0.744
ASSI ( attr store1 < 5.64 and attr store1 > 5.6 )
     ( attr store1 < 0.722 and attr store1 > 0.682 )
     6.0 0.1 0.1 peak 3083 volume 8.620e+02 ppm1 5.620 ppm2 0.702
ASSI ( resid 77 and name HA )
     ( resid 62 and name hg2# )
     6.0 0.1 0.1 peak 3084 volume 1.523e+03 ppm1 5.669 ppm2 0.697
ASSI ( resid 110 and name HA )
     ( resid 50 and name hd1# )
     6.0 0.1 0.1 peak 3085 volume 1.321e+03 ppm1 5.463 ppm2 1.012
ASSI ( resid 109 and name HA )
     ( resid 24 and name hg2# )
     6.0 0.1 0.1 peak 3086 volume 2.960e+03 ppm1 5.289 ppm2 1.062
ASSI ( attr store1 < 5.28 and attr store1 > 5.24 )
     ( attr store1 < 1.032 and attr store1 > 0.992 )
     6.0 0.1 0.1 peak 3087 volume 0.000e+00 ppm1 5.260 ppm2 1.012
ASSI ( attr store1 < 5.266 and attr store1 > 5.226 )
     ( attr store1 < 0.916 and attr store1 > 0.876 )
     6.0 0.1 0.1 peak 3088 volume 4.053e+03 ppm1 5.246 ppm2 0.896
ASSI ( attr store1 < 4.789 and attr store1 > 4.749 )
     ( attr store1 < 1.16 and attr store1 > 1.12 )
     6.0 0.1 0.1 peak 3089 volume 3.317e+03 ppm1 4.769 ppm2 1.140
ASSI ( resid 30 and name HA )
     ( resid 25 and name hd1# )
     6.0 0.1 0.1 peak 3091 volume 3.726e+03 ppm1 5.688 ppm2 0.577
ASSI ( attr store1 < 5.638 and attr store1 > 5.598 )
     ( attr store1 < 0.521 and attr store1 > 0.481 )
     6.0 0.1 0.1 peak 3092 volume 1.327e+03 ppm1 5.618 ppm2 0.501
ASSI ( resid 30 and name HA )
     ( resid 100 and name hg2# )
     6.0 0.1 0.1 peak 3094 volume 2.201e+03 ppm1 5.688 ppm2 0.456
ASSI ( attr store1 < 4.648 and attr store1 > 4.608 )
     ( attr store1 < -0.102 and attr store1 > -0.142 )
     6.0 0.1 0.1 peak 3099 volume 3.240e+02 ppm1 4.628 ppm2 -0.122
ASSI ( attr store1 < 0.595 and attr store1 > 0.555 )
     ( attr store1 < 6.33 and attr store1 > 6.29 )
     6.0 0.1 0.1 peak 3101 volume 1.606e+03 ppm1 0.575 ppm2 6.310
ASSI ( resid 112 and name hd1# )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3102 volume 4.364e+04 ppm1 0.496 ppm2 6.311
ASSI ( resid 31 and name hg2# )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3103 volume 7.843e+03 ppm1 0.705 ppm2 6.312
ASSI ( resid 31 and name hg1# )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3104 volume 0.000e+00 ppm1 0.900 ppm2 6.310
ASSI ( resid 25 and name hg1# )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3105 volume 4.816e+03 ppm1 1.154 ppm2 6.312
ASSI ( resid 25 and name hg2# )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3106 volume 2.755e+03 ppm1 1.065 ppm2 6.311
ASSI ( attr store1 < 1.642 and attr store1 > 1.602 )
     ( attr store1 < 7.028 and attr store1 > 6.988 )
     6.0 0.1 0.1 peak 3108 volume 2.570e+02 ppm1 1.622 ppm2 7.008
ASSI ( attr store1 < 2.125 and attr store1 > 2.085 )
     ( attr store1 < 6.333 and attr store1 > 6.293 )
     6.0 0.1 0.1 peak 3111 volume 8.230e+02 ppm1 2.105 ppm2 6.313
ASSI ( resid 25 and name HB )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3113 volume 8.529e+03 ppm1 1.561 ppm2 6.311
ASSI ( attr store1 < 2.146 and attr store1 > 2.106 )
     ( attr store1 < 6.517 and attr store1 > 6.477 )
     6.0 0.1 0.1 peak 3114 volume 9.210e+02 ppm1 2.126 ppm2 6.497
ASSI ( resid 23 and name HA1 )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3115 volume 2.794e+03 ppm1 3.972 ppm2 6.312
ASSI ( resid 110 and name HA )
     ( resid 52 and name HB2 )
     6.0 0.1 0.1 peak 3116 volume 3.550e+02 ppm1 5.462 ppm2 3.967
ASSI ( resid 96 and name HA )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 3117 volume 0.000e+00 ppm1 5.742 ppm2 8.742
ASSI ( resid 77 and name HA )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 3118 volume 1.614e+03 ppm1 5.672 ppm2 8.746
ASSI ( resid 33 and name HG12 )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 3126 volume 0.000e+00 ppm1 1.313 ppm2 9.072
ASSI ( resid 32 and name HA )
     ( resid 32 and name HB3 )
     6.0 0.1 0.1 peak 3127 volume 0.000e+00 ppm1 5.639 ppm2 2.727
ASSI ( resid 33 and name HG12 )
     ( resid 33 and name HG13 )
     6.0 0.1 0.1 peak 3128 volume 0.000e+00 ppm1 1.298 ppm2 0.708
ASSI ( resid 33 and name HG12 )
     ( resid 33 and name hg2# )
     6.0 0.1 0.1 peak 3129 volume 0.000e+00 ppm1 1.293 ppm2 0.182
ASSI ( resid 108 and name HN )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 3130 volume 3.647e+03 ppm1 8.649 ppm2 9.251
ASSI ( resid 22 and name HA )
     ( resid 111 and name HA )
     6.0 0.1 0.1 peak 3132 volume 5.737e+03 ppm1 4.955 ppm2 5.132
ASSI ( resid 31 and name HN )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 3133 volume 8.540e+03 ppm1 8.861 ppm2 9.377
ASSI ( resid 97 and name HN )
     ( resid 64 and name HN )
     6.0 0.1 0.1 peak 3134 volume 4.388e+03 ppm1 8.741 ppm2 9.504
ASSI ( resid 85 and name HA )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 3136 volume 3.360e+02 ppm1 5.440 ppm2 6.567
ASSI ( attr store1 < 3.784 and attr store1 > 3.744 )
     ( attr store1 < 8.215 and attr store1 > 8.175 )
     6.0 0.1 0.1 peak 3137 volume 4.010e+02 ppm1 3.764 ppm2 8.195
ASSI ( resid 49 and name HA )
     ( resid 48 and name hb# )
     6.0 0.1 0.1 peak 3138 volume 1.595e+03 ppm1 3.763 ppm2 -0.030
ASSI ( resid 99 and name HA )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 3139 volume 9.703e+03 ppm1 5.243 ppm2 5.630
ASSI ( resid 32 and name HA )
     ( resid 100 and name HN )
     6.0 0.1 0.1 peak 3140 volume 0.000e+00 ppm1 5.632 ppm2 9.376
ASSI ( resid 99 and name HA )
     ( resid 33 and name HN )
     6.0 0.1 0.1 peak 3141 volume 0.000e+00 ppm1 5.243 ppm2 9.073
ASSI ( resid 101 and name HA )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 3142 volume 4.816e+03 ppm1 4.891 ppm2 5.686
ASSI ( resid 29 and name HN )
     ( resid 102 and name HN )
     6.0 0.1 0.1 peak 3143 volume 0.000e+00 ppm1 8.214 ppm2 8.840
ASSI ( resid 52 and name HA )
     ( resid 110 and name HA )
     6.0 0.1 0.1 peak 3145 volume 2.752e+03 ppm1 4.757 ppm2 5.457
ASSI ( resid 111 and name HN )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 3146 volume 2.303e+03 ppm1 8.654 ppm2 9.272
ASSI ( resid 62 and name HA )
     ( resid 77 and name HA )
     6.0 0.1 0.1 peak 3148 volume 1.024e+04 ppm1 4.592 ppm2 5.673
ASSI ( resid 76 and name HN )
     ( resid 63 and name HN )
     6.0 0.1 0.1 peak 3150 volume 1.281e+03 ppm1 7.465 ppm2 8.746
ASSI ( resid 60 and name HN )
     ( resid 103 and name HN )
     6.0 0.1 0.1 peak 3151 volume 2.013e+03 ppm1 8.846 ppm2 9.065
ASSI ( resid 24 and name HA )
     ( resid 109 and name HA )
     6.0 0.1 0.1 peak 3152 volume 5.411e+03 ppm1 5.036 ppm2 5.285
ASSI ( attr store1 < 1.68 and attr store1 > 1.64 )
     ( attr store1 < 7.287 and attr store1 > 7.247 )
     6.0 0.1 0.1 peak 3154 volume 1.462e+03 ppm1 1.660 ppm2 7.267
ASSI ( resid 65 and name HA )
     ( resid 96 and name HN )
     6.0 0.1 0.1 peak 3156 volume 0.000e+00 ppm1 4.985 ppm2 8.273
ASSI ( resid 102 and name HA )
     ( resid 59 and name HA )
     6.0 0.1 0.1 peak 3157 volume 1.049e+04 ppm1 4.986 ppm2 5.440
ASSI ( resid 65 and name HA )
     ( resid 96 and name HA )
     6.0 0.1 0.1 peak 3158 volume 2.431e+03 ppm1 4.981 ppm2 5.741
ASSI ( resid 48 and name HA )
     ( resid 114 and name HA )
     6.0 0.1 0.1 peak 3159 volume 2.001e+03 ppm1 4.769 ppm2 5.274
ASSI ( resid 85 and name HA )
     ( resid 47 and name HA )
     6.0 0.1 0.1 peak 3160 volume 6.544e+03 ppm1 5.434 ppm2 5.580
ASSI ( resid 100 and name HA )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 3161 volume 2.561e+03 ppm1 4.481 ppm2 9.903
ASSI ( resid 62 and name HN )
     ( resid 99 and name HN )
     6.0 0.1 0.1 peak 3162 volume 1.536e+03 ppm1 9.902 ppm2 9.980
ASSI ( resid 61 and name HA )
     ( resid 101 and name HN )
     6.0 0.1 0.1 peak 3163 volume 2.550e+03 ppm1 5.028 ppm2 8.897
ASSI ( resid 51 and name HB3 )
     ( resid 52 and name HN )
     6.0 0.1 0.1 peak 3164 volume 5.948e+03 ppm1 3.084 ppm2 9.134
ASSI ( resid 23 and name HA2 )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 3165 volume 1.214e+03 ppm1 3.791 ppm2 6.499
ASSI ( resid 23 and name HA1 )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 3168 volume 1.201e+03 ppm1 3.973 ppm2 6.499
ASSI ( resid 21 and name HB3 )
     ( resid 110 and name hd# )
     6.0 0.1 0.1 peak 3169 volume 0.000e+00 ppm1 2.878 ppm2 6.499
ASSI ( resid 21 and name HB3 )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3170 volume 0.000e+00 ppm1 2.878 ppm2 6.312
ASSI ( resid 100 and name HB )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3171 volume 4.580e+02 ppm1 1.345 ppm2 6.310
ASSI ( resid 27 and name HA1 )
     ( resid 102 and name HD21 )
     6.0 0.1 0.1 peak 3172 volume 1.786e+03 ppm1 3.638 ppm2 7.082
ASSI ( resid 62 and name hd1# )
     ( resid 62 and name HN )
     6.0 0.1 0.1 peak 3173 volume 7.969e+03 ppm1 0.905 ppm2 9.901
ASSI ( resid 61 and name HG )
     ( resid 78 and name HN )
     6.0 0.1 0.1 peak 3174 volume 6.210e+02 ppm1 1.105 ppm2 9.782
ASSI ( resid 33 and name hg2# )
     ( resid 21 and name he# )
     6.0 0.1 0.1 peak 3177 volume 1.988e+03 ppm1 0.191 ppm2 6.807
ASSI ( resid 49 and name hg2# )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 3179 volume 4.391e+03 ppm1 0.474 ppm2 8.387
ASSI ( resid 49 and name hg1# )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 3180 volume 2.349e+03 ppm1 0.754 ppm2 8.387
ASSI ( resid 76 and name hd# )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 3181 volume 0.000e+00 ppm1 1.626 ppm2 8.245
ASSI ( resid 76 and name HB3 )
     ( resid 77 and name HN )
     6.0 0.1 0.1 peak 3182 volume 0.000e+00 ppm1 1.792 ppm2 8.245
ASSI ( resid 51 and name HB3 )
     ( resid 111 and name HN )
     6.0 0.1 0.1 peak 3183 volume 3.940e+02 ppm1 3.089 ppm2 8.654
ASSI ( resid 32 and name HA )
     ( resid 97 and name hg1# )
     6.0 0.1 0.1 peak 3184 volume 1.544e+03 ppm1 5.627 ppm2 0.415
ASSI ( attr store1 < 5.647 and attr store1 > 5.607 )
     ( attr store1 < -0.514 and attr store1 > -0.554 )
     6.0 0.1 0.1 peak 3185 volume 3.220e+02 ppm1 5.627 ppm2 -0.534
ASSI ( resid 112 and name HA )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 3186 volume 4.310e+02 ppm1 5.108 ppm2 8.354
ASSI ( resid 47 and name HA )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 3188 volume 6.170e+02 ppm1 5.591 ppm2 6.659
ASSI ( attr store1 < 5.711 and attr store1 > 5.671 )
     ( attr store1 < 1.086 and attr store1 > 1.046 )
     6.0 0.1 0.1 peak 3189 volume 0.000e+00 ppm1 5.691 ppm2 1.066
ASSI ( resid 20 and name HA )
     ( resid 21 and name he# )
     6.0 0.1 0.1 peak 3190 volume 3.670e+02 ppm1 5.606 ppm2 6.807
ASSI ( attr store1 < 7.641 and attr store1 > 7.601 )
     ( attr store1 < 8.411 and attr store1 > 8.371 )
     6.0 0.1 0.1 peak 3191 volume 2.480e+02 ppm1 7.621 ppm2 8.391
ASSI ( attr store1 < 0.455 and attr store1 > 0.415 )
     ( attr store1 < 6.967 and attr store1 > 6.927 )
     6.0 0.1 0.1 peak 3192 volume 1.153e+03 ppm1 0.435 ppm2 6.947
ASSI ( resid 72 and name HZ3 )
     ( resid 72 and name HZ2 )
     6.0 0.1 0.1 peak 3193 volume 0.000e+00 ppm1 6.707 ppm2 7.447
ASSI ( resid 72 and name HD1 )
     ( resid 72 and name HZ2 )
     6.0 0.1 0.1 peak 3194 volume 0.000e+00 ppm1 7.236 ppm2 7.447
ASSI ( resid 82 and name HD3 )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 3197 volume 1.852e+03 ppm1 1.722 ppm2 6.606
ASSI ( resid 82 and name HA )
     ( resid 78 and name HD21 )
     6.0 0.1 0.1 peak 3198 volume 4.480e+02 ppm1 4.979 ppm2 6.655
ASSI ( resid 82 and name HA )
     ( resid 78 and name HD22 )
     6.0 0.1 0.1 peak 3199 volume 4.340e+02 ppm1 4.979 ppm2 6.604
ASSI ( resid 131 and name hg1# )
     ( resid 72 and name HE1 )
     6.0 0.1 0.1 peak 3200 weight 0.100e+02 volume 2.170e+02 ppm1 0.853 ppm2 10.287
ASSI ( resid 131 and name hg1# )
     ( resid 72 and name HN )
     6.0 0.1 0.1 peak 3201 weight 0.100e+02 volume 8.710e+02 ppm1 0.853 ppm2 8.166
ASSI ( resid 46 and name hd2# )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 3202 volume 1.478e+03 ppm1 -0.314 ppm2 7.191
ASSI ( resid 46 and name hd1# )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 3203 volume 1.823e+03 ppm1 -0.109 ppm2 7.191
ASSI ( resid 46 and name hd2# )
     ( resid 98 and name HZ3 )
     6.0 0.1 0.1 peak 3204 volume 2.412e+03 ppm1 -0.314 ppm2 6.838
ASSI ( resid 46 and name hd1# )
     ( resid 98 and name HZ3 )
     6.0 0.1 0.1 peak 3205 volume 6.036e+03 ppm1 -0.109 ppm2 6.838
ASSI ( resid 46 and name hd2# )
     ( resid 98 and name HH2 )
     6.0 0.1 0.1 peak 3206 volume 1.125e+03 ppm1 -0.314 ppm2 6.656
ASSI ( resid 46 and name hd2# )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 3207 volume 7.950e+02 ppm1 -0.315 ppm2 7.319
ASSI ( resid 46 and name hd1# )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 3208 volume 9.330e+02 ppm1 -0.113 ppm2 7.319
ASSI ( resid 63 and name hd1# )
     ( resid 46 and name hd2# )
     6.0 0.1 0.1 peak 3209 volume 1.033e+03 ppm1 0.267 ppm2 -0.309
ASSI ( resid 63 and name hd1# )
     ( resid 46 and name hd1# )
     6.0 0.1 0.1 peak 3210 volume 2.570e+03 ppm1 0.267 ppm2 -0.115
ASSI ( resid 63 and name hd1# )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 3211 volume 4.010e+02 ppm1 0.264 ppm2 9.162
ASSI ( resid 52 and name HB2 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3212 volume 3.732e+03 ppm1 3.974 ppm2 2.072
ASSI ( resid 59 and name HB3 )
     ( resid 59 and name he# )
     6.0 0.1 0.1 peak 3213 volume 0.000e+00 ppm1 2.514 ppm2 2.072
ASSI ( resid 130 and name HD3 )
     ( resid 130 and name hb# )
     6.0 0.1 0.1 peak 3215 volume 0.000e+00 ppm1 3.687 ppm2 2.294
ASSI ( resid 130 and name HD2 )
     ( resid 130 and name hb# )
     6.0 0.1 0.1 peak 3216 volume 0.000e+00 ppm1 3.872 ppm2 2.294
ASSI ( resid 72 and name HZ3 )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 3217 volume 0.000e+00 ppm1 6.708 ppm2 8.741
ASSI ( resid 110 and name HB2 )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 3218 volume 9.350e+02 ppm1 3.007 ppm2 0.122
ASSI ( resid 98 and name HB3 )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 3219 volume 0.000e+00 ppm1 2.840 ppm2 7.269
ASSI ( resid 61 and name hd2# )
     ( resid 98 and name HE3 )
     6.0 0.1 0.1 peak 3220 volume 0.000e+00 ppm1 0.598 ppm2 7.268
ASSI ( resid 67 and name HB )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 3221 volume 5.430e+02 ppm1 1.613 ppm2 6.197
ASSI ( resid 71 and name HA1 )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 3222 volume 4.350e+02 ppm1 4.222 ppm2 6.198
ASSI ( resid 67 and name HA )
     ( resid 66 and name HD22 )
     6.0 0.1 0.1 peak 3223 volume 5.160e+02 ppm1 4.337 ppm2 6.198
ASSI ( resid 79 and name HA )
     ( resid 60 and name hg2# )
     6.0 0.1 0.1 peak 3224 volume 0.000e+00 ppm1 5.020 ppm2 1.247
ASSI ( resid 67 and name hg2# )
     ( resid 67 and name HN )
     6.0 0.1 0.1 peak 3225 volume 0.000e+00 ppm1 -0.019 ppm2 8.271
ASSI ( resid 67 and name hg1# )
     ( resid 67 and name HN )
     6.0 0.1 0.1 peak 3226 volume 0.000e+00 ppm1 0.044 ppm2 8.270
ASSI ( resid 67 and name HB )
     ( resid 67 and name HN )
     6.0 0.1 0.1 peak 3227 volume 0.000e+00 ppm1 1.613 ppm2 8.270
ASSI ( resid 67 and name HA )
     ( resid 67 and name HN )
     6.0 0.1 0.1 peak 3228 volume 0.000e+00 ppm1 4.337 ppm2 8.271
ASSI ( resid 67 and name HA )
     ( resid 67 and name HB )
     6.0 0.1 0.1 peak 3229 volume 0.000e+00 ppm1 4.337 ppm2 1.614
ASSI ( resid 67 and name HA )
     ( resid 67 and name hg2# )
     6.0 0.1 0.1 peak 3230 volume 0.000e+00 ppm1 4.337 ppm2 -0.019
ASSI ( attr store1 < 1.633 and attr store1 > 1.593 )
     ( attr store1 < 6.968 and attr store1 > 6.928 )
     6.0 0.1 0.1 peak 3232 volume 2.900e+02 ppm1 1.613 ppm2 6.948
ASSI ( attr store1 < 4.354 and attr store1 > 4.314 )
     ( attr store1 < 7.025 and attr store1 > 6.985 )
     6.0 0.1 0.1 peak 3233 volume 4.400e+02 ppm1 4.334 ppm2 7.005
ASSI ( attr store1 < 4.359 and attr store1 > 4.319 )
     ( attr store1 < 6.726 and attr store1 > 6.686 )
     6.0 0.1 0.1 peak 3234 volume 5.730e+02 ppm1 4.339 ppm2 6.706
ASSI ( resid 72 and name HZ3 )
     ( resid 96 and name HN )
     6.0 0.1 0.1 peak 3235 volume 7.280e+02 ppm1 6.704 ppm2 8.271
ASSI ( resid 25 and name hg2# )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 3237 volume 4.274e+03 ppm1 1.077 ppm2 6.571
ASSI ( resid 25 and name hg1# )
     ( resid 102 and name HD22 )
     6.0 0.1 0.1 peak 3238 volume 1.601e+03 ppm1 1.155 ppm2 6.571
ASSI ( resid 63 and name hd1# )
     ( resid 96 and name HH2 )
     6.0 0.1 0.1 peak 3242 volume 2.430e+02 ppm1 0.269 ppm2 7.037
ASSI ( resid 33 and name hg2# )
     ( resid 98 and name HD1 )
     6.0 0.1 0.1 peak 3244 volume 2.368e+03 ppm1 0.189 ppm2 6.724
ASSI ( attr store1 < 0.286 and attr store1 > 0.246 )
     ( attr store1 < 7.217 and attr store1 > 7.177 )
     6.0 0.1 0.1 peak 3245 volume 0.000e+00 ppm1 0.266 ppm2 7.197
ASSI ( resid 63 and name hd2# )
     ( resid 98 and name HZ2 )
     6.0 0.1 0.1 peak 3246 volume 6.340e+02 ppm1 -0.188 ppm2 7.192
ASSI ( resid 78 and name HA )
     ( resid 77 and name HA )
     6.0 0.1 0.1 peak 3254 volume 0.000e+00 ppm1 5.038 ppm2 5.667
ASSI ( resid 112 and name HA )
     ( resid 113 and name HA )
     6.0 0.1 0.1 peak 3255 volume 0.000e+00 ppm1 5.110 ppm2 5.609
ASSI ( resid 109 and name HA )
     ( resid 110 and name HA )
     6.0 0.1 0.1 peak 3256 volume 0.000e+00 ppm1 5.286 ppm2 5.459
ASSI ( resid 86 and name HA )
     ( resid 85 and name HA )
     6.0 0.1 0.1 peak 3257 volume 0.000e+00 ppm1 4.651 ppm2 5.434
ASSI ( resid 84 and name HA )
     ( resid 85 and name HA )
     6.0 0.1 0.1 peak 3258 volume 0.000e+00 ppm1 4.490 ppm2 5.435
ASSI ( resid 31 and name HA )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 3259 volume 0.000e+00 ppm1 4.309 ppm2 5.683
ASSI ( resid 31 and name HA )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 3260 volume 0.000e+00 ppm1 4.299 ppm2 5.631
ASSI ( attr store1 < 4.444 and attr store1 > 4.404 )
     ( attr store1 < 5.295 and attr store1 > 5.255 )
     6.0 0.1 0.1 peak 3262 volume 0.000e+00 ppm1 4.424 ppm2 5.275
ASSI ( resid 15 and name HA )
     ( resid 15 and name HG13 )
     6.0 0.1 0.1 peak 3264 volume 0.000e+00 ppm1 4.479 ppm2 1.154
ASSI ( resid 15 and name HA )
     ( resid 16 and name HD2 )
     6.0 0.1 0.1 peak 3265 volume 0.000e+00 ppm1 4.476 ppm2 3.876
ASSI ( resid 15 and name HA )
     ( resid 15 and name HG12 )
     6.0 0.1 0.1 peak 3266 volume 0.000e+00 ppm1 4.481 ppm2 1.482
ASSI ( resid 15 and name HA )
     ( resid 15 and name HB )
     6.0 0.1 0.1 peak 3267 volume 0.000e+00 ppm1 4.481 ppm2 1.841
ASSI ( resid 15 and name hg2# )
     ( resid 15 and name hd1# )
     6.0 0.1 0.1 peak 3268 volume 0.000e+00 ppm1 0.948 ppm2 0.798
ASSI ( resid 15 and name HG12 )
     ( resid 15 and name hg2# )
     6.0 0.1 0.1 peak 3269 volume 0.000e+00 ppm1 1.486 ppm2 0.947
ASSI ( resid 100 and name hg2# )
     ( resid 110 and name he# )
     6.0 0.1 0.1 peak 3270 volume 2.614e+03 ppm1 0.465 ppm2 6.310
ASSI ( resid 100 and name hg2# )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 3271 volume 2.050e+03 ppm1 0.453 ppm2 8.843
ASSI ( attr store1 < 0.591 and attr store1 > 0.551 )
     ( attr store1 < 8.869 and attr store1 > 8.829 )
     6.0 0.1 0.1 peak 3272 volume 4.113e+03 ppm1 0.571 ppm2 8.849
ASSI ( resid 90 and name he# )
     ( resid 90 and name hd# )
     6.0 0.1 0.1 peak 3273 volume 0.000e+00 ppm1 6.869 ppm2 7.197
ASSI ( resid 45 and name HA )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 3274 volume 0.000e+00 ppm1 4.477 ppm2 9.162
ASSI ( resid 45 and name HB3 )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 3275 volume 0.000e+00 ppm1 1.966 ppm2 9.160
ASSI ( resid 89 and name HB2 )
     ( resid 90 and name HN )
     6.0 0.1 0.1 peak 3276 volume 0.000e+00 ppm1 2.907 ppm2 8.356
ASSI ( resid 96 and name HB2 )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 3277 volume 0.000e+00 ppm1 2.898 ppm2 8.745
ASSI ( resid 96 and name HB3 )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 3278 volume 0.000e+00 ppm1 2.652 ppm2 7.322
ASSI ( attr store1 < 4.192 and attr store1 > 4.152 )
     ( attr store1 < 9.095 and attr store1 > 9.055 )
     6.0 0.1 0.1 peak 3280 volume 3.806e+03 ppm1 4.172 ppm2 9.075
ASSI ( resid 72 and name HB2 )
     ( resid 131 and name hg2# )
     6.0 0.1 0.1 peak 3282 weight 0.100e+02 volume 1.846e+03 ppm1 2.908 ppm2 0.742
ASSI ( resid 58 and name HB3 )
     ( resid 104 and name HN )
     6.0 0.1 0.1 peak 3283 volume 7.410e+02 ppm1 2.526 ppm2 7.914
ASSI ( resid 82 and name he# )
     ( resid 82 and name hb# )
     6.0 0.1 0.1 peak 3284 volume 1.423e+03 ppm1 3.118 ppm2 1.907
ASSI ( resid 82 and name he# )
     ( resid 82 and name HD3 )
     6.0 0.1 0.1 peak 3285 volume 3.857e+03 ppm1 3.118 ppm2 1.721
ASSI ( resid 82 and name he# )
     ( resid 82 and name HG2 )
     6.0 0.1 0.1 peak 3286 volume 3.715e+03 ppm1 3.118 ppm2 1.511
ASSI ( resid 33 and name hg2# )
     ( resid 124 and name HN )
     6.0 0.1 0.1 peak 3287 volume 5.600e+02 ppm1 0.193 ppm2 8.138
ASSI ( resid 76 and name he# )
     ( resid 76 and name HB3 )
     6.0 0.1 0.1 peak 3289 volume 0.000e+00 ppm1 3.256 ppm2 1.786
ASSI ( resid 76 and name he# )
     ( resid 76 and name HB2 )
     6.0 0.1 0.1 peak 3290 volume 0.000e+00 ppm1 3.256 ppm2 1.891
ASSI ( attr store1 < 1.445 and attr store1 > 1.405 )
     ( attr store1 < 0.438 and attr store1 > 0.398 )
     6.0 0.1 0.1 peak 3291 volume 3.650e+03 ppm1 1.425 ppm2 0.418
ASSI ( attr store1 < 0.969 and attr store1 > 0.929 )
     ( attr store1 < -0.515 and attr store1 > -0.555 )
     6.0 0.1 0.1 peak 3292 volume 3.177e+03 ppm1 0.949 ppm2 -0.535
ASSI ( attr store1 < 4.052 and attr store1 > 4.012 )
     ( attr store1 < 3.029 and attr store1 > 2.989 )
     6.0 0.1 0.1 peak 3294 volume 7.060e+02 ppm1 4.032 ppm2 3.009
ASSI ( resid 57 and name HA )
     ( resid 58 and name HB2 )
     6.0 0.1 0.1 peak 3295 volume 0.000e+00 ppm1 4.030 ppm2 2.780
ASSI ( resid 97 and name HB )
     ( resid 97 and name HN )
     6.0 0.1 0.1 peak 3296 volume 0.000e+00 ppm1 1.254 ppm2 8.723
ASSI ( resid 97 and name HB )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 3297 volume 0.000e+00 ppm1 1.254 ppm2 -0.533
ASSI ( resid 97 and name HB )
     ( resid 97 and name hg1# )
     6.0 0.1 0.1 peak 3298 volume 0.000e+00 ppm1 1.258 ppm2 0.418
ASSI ( resid 97 and name HA )
     ( resid 97 and name HB )
     6.0 0.1 0.1 peak 3299 volume 0.000e+00 ppm1 4.425 ppm2 1.258
ASSI ( resid 60 and name HG1 )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 3300 volume 0.000e+00 ppm1 5.846 ppm2 8.843
ASSI ( resid 60 and name HG1 )
     ( resid 60 and name HB )
     6.0 0.1 0.1 peak 3301 volume 0.000e+00 ppm1 5.846 ppm2 3.614
ASSI ( resid 60 and name HG1 )
     ( resid 60 and name hg2# )
     6.0 0.1 0.1 peak 3302 volume 0.000e+00 ppm1 5.846 ppm2 1.249
ASSI ( resid 116 and name HA )
     ( resid 116 and name HB )
     6.0 0.1 0.1 peak 3303 volume 0.000e+00 ppm1 4.879 ppm2 2.501
ASSI ( resid 116 and name hg2# )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 3304 volume 0.000e+00 ppm1 0.875 ppm2 9.135
ASSI ( resid 28 and name HD2 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 3305 volume 0.000e+00 ppm1 1.512 ppm2 8.427
ASSI ( resid 28 and name HA )
     ( resid 28 and name HD2 )
     6.0 0.1 0.1 peak 3306 volume 0.000e+00 ppm1 4.347 ppm2 1.504
ASSI ( resid 28 and name HB2 )
     ( resid 28 and name HD2 )
     6.0 0.1 0.1 peak 3307 volume 0.000e+00 ppm1 2.071 ppm2 1.506
ASSI ( resid 82 and name HA )
     ( resid 82 and name HD2 )
     6.0 0.1 0.1 peak 3308 volume 0.000e+00 ppm1 4.977 ppm2 1.789
ASSI ( resid 82 and name he# )
     ( resid 82 and name HD2 )
     6.0 0.1 0.1 peak 3309 volume 0.000e+00 ppm1 3.117 ppm2 1.789
ASSI ( resid 86 and name HB2 )
     ( resid 86 and name he# )
     6.0 0.1 0.1 peak 3313 volume 0.000e+00 ppm1 2.644 ppm2 6.659
ASSI ( resid 78 and name HB3 )
     ( resid 82 and name HD2 )
     6.0 0.1 0.1 peak 3314 volume 0.000e+00 ppm1 2.443 ppm2 1.789
ASSI ( resid 82 and name HD2 )
     ( resid 82 and name HN )
     6.0 0.1 0.1 peak 3315 volume 0.000e+00 ppm1 1.790 ppm2 7.618
ASSI ( resid 112 and name HA )
     ( resid 112 and name HG )
     6.0 0.1 0.1 peak 3316 volume 0.000e+00 ppm1 5.111 ppm2 1.081
ASSI ( resid 112 and name HB2 )
     ( resid 112 and name HG )
     6.0 0.1 0.1 peak 3317 volume 0.000e+00 ppm1 2.112 ppm2 1.081
ASSI ( resid 112 and name HB3 )
     ( resid 112 and name hd1# )
     6.0 0.1 0.1 peak 3318 volume 0.000e+00 ppm1 1.143 ppm2 0.495
ASSI ( resid 112 and name HB3 )
     ( resid 112 and name hd2# )
     6.0 0.1 0.1 peak 3319 volume 0.000e+00 ppm1 1.143 ppm2 0.446
ASSI ( resid 112 and name HG )
     ( resid 112 and name hd1# )
     6.0 0.1 0.1 peak 3320 volume 0.000e+00 ppm1 1.079 ppm2 0.495
ASSI ( resid 112 and name HG )
     ( resid 112 and name hd2# )
     6.0 0.1 0.1 peak 3321 volume 0.000e+00 ppm1 1.082 ppm2 0.446
ASSI ( resid 29 and name HA1 )
     ( resid 26 and name hb# )
     6.0 0.1 0.1 peak 3322 volume 1.120e+03 ppm1 4.336 ppm2 2.466
ASSI ( resid 120 and name HA )
     ( resid 120 and name HB2 )
     6.0 0.1 0.1 peak 3325 volume 0.000e+00 ppm1 4.347 ppm2 1.680
ASSI ( resid 120 and name HA )
     ( resid 120 and name hd# )
     6.0 0.1 0.1 peak 3326 volume 0.000e+00 ppm1 4.347 ppm2 1.198
ASSI ( resid 120 and name he# )
     ( resid 120 and name hd# )
     6.0 0.1 0.1 peak 3327 volume 0.000e+00 ppm1 2.803 ppm2 1.198
ASSI ( resid 120 and name he# )
     ( resid 120 and name HB3 )
     6.0 0.1 0.1 peak 3328 volume 0.000e+00 ppm1 2.806 ppm2 1.610
ASSI ( resid 120 and name he# )
     ( resid 120 and name HB2 )
     6.0 0.1 0.1 peak 3329 volume 0.000e+00 ppm1 2.806 ppm2 1.680
ASSI ( resid 120 and name HB2 )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 3330 volume 0.000e+00 ppm1 1.680 ppm2 8.536
ASSI ( resid 120 and name HA )
     ( resid 120 and name he# )
     6.0 0.1 0.1 peak 3331 volume 0.000e+00 ppm1 4.347 ppm2 2.805
ASSI ( resid 120 and name HA )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 3332 volume 0.000e+00 ppm1 4.347 ppm2 8.537
ASSI ( resid 121 and name HA )
     ( resid 121 and name hb# )
     6.0 0.1 0.1 peak 3334 volume 0.000e+00 ppm1 4.291 ppm2 2.292
ASSI ( resid 121 and name HA )
     ( resid 121 and name hg# )
     6.0 0.1 0.1 peak 3335 volume 0.000e+00 ppm1 4.291 ppm2 1.898
ASSI ( resid 121 and name hb# )
     ( resid 121 and name hg# )
     6.0 0.1 0.1 peak 3336 volume 0.000e+00 ppm1 2.294 ppm2 1.898
ASSI ( resid 120 and name HA )
     ( resid 121 and name HN )
     6.0 0.1 0.1 peak 3337 volume 0.000e+00 ppm1 4.345 ppm2 8.376
ASSI ( resid 118 and name HA )
     ( resid 118 and name HB2 )
     6.0 0.1 0.1 peak 3338 volume 0.000e+00 ppm1 4.750 ppm2 2.764
ASSI ( resid 118 and name HA )
     ( resid 118 and name HB3 )
     6.0 0.1 0.1 peak 3339 volume 0.000e+00 ppm1 4.750 ppm2 2.511
ASSI ( resid 118 and name HB3 )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 3340 volume 0.000e+00 ppm1 2.511 ppm2 8.011
ASSI ( resid 118 and name HB3 )
     ( resid 119 and name HN )
     6.0 0.1 0.1 peak 3341 volume 0.000e+00 ppm1 2.509 ppm2 8.393
ASSI ( resid 118 and name HA )
     ( resid 119 and name HN )
     6.0 0.1 0.1 peak 3342 volume 0.000e+00 ppm1 4.750 ppm2 8.393
ASSI ( resid 119 and name HB2 )
     ( resid 119 and name HB3 )
     6.0 0.1 0.1 peak 3343 volume 0.000e+00 ppm1 2.678 ppm2 2.586
ASSI ( resid 16 and name hb# )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 3344 volume 0.000e+00 ppm1 2.114 ppm2 8.461
ASSI ( resid 59 and name he# )
     ( resid 25 and name HN )
     6.0 0.1 0.1 peak 3345 volume 4.180e+02 ppm1 2.071 ppm2 9.254
ASSI ( resid 50 and name HA )
     ( resid 50 and name hd2# )
     6.0 0.1 0.1 peak 3346 volume 0.000e+00 ppm1 4.776 ppm2 0.726
ASSI ( resid 50 and name HG )
     ( resid 50 and name hd1# )
     6.0 0.1 0.1 peak 3347 volume 0.000e+00 ppm1 1.481 ppm2 1.013
ASSI ( resid 50 and name HG )
     ( resid 50 and name hd2# )
     6.0 0.1 0.1 peak 3348 volume 0.000e+00 ppm1 1.482 ppm2 0.726
ASSI ( resid 50 and name hd1# )
     ( resid 50 and name hd2# )
     6.0 0.1 0.1 peak 3349 volume 0.000e+00 ppm1 1.013 ppm2 0.726
ASSI ( resid 50 and name hd2# )
     ( resid 50 and name HN )
     6.0 0.1 0.1 peak 3350 volume 0.000e+00 ppm1 0.727 ppm2 8.387
ASSI ( resid 50 and name hd1# )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 3351 volume 0.000e+00 ppm1 1.013 ppm2 9.271
ASSI ( resid 50 and name hd2# )
     ( resid 51 and name HN )
     6.0 0.1 0.1 peak 3352 volume 0.000e+00 ppm1 0.727 ppm2 9.271
ASSI ( attr store1 < 2.096 and attr store1 > 2.056 )
     ( attr store1 < 1.029 and attr store1 > 0.989 )
     6.0 0.1 0.1 peak 3353 volume 2.002e+03 ppm1 2.076 ppm2 1.009
ASSI ( resid 115 and name HB )
     ( resid 115 and name HN )
     6.0 0.1 0.1 peak 3354 volume 0.000e+00 ppm1 4.285 ppm2 8.770
ASSI ( resid 115 and name HA )
     ( resid 115 and name HN )
     6.0 0.1 0.1 peak 3355 volume 0.000e+00 ppm1 4.863 ppm2 8.770
ASSI ( resid 115 and name hg2# )
     ( resid 115 and name HN )
     6.0 0.1 0.1 peak 3356 volume 0.000e+00 ppm1 1.332 ppm2 8.770
ASSI ( resid 115 and name HA )
     ( resid 115 and name hg2# )
     6.0 0.1 0.1 peak 3357 volume 0.000e+00 ppm1 4.864 ppm2 1.331
ASSI ( resid 114 and name HA )
     ( resid 115 and name HN )
     6.0 0.1 0.1 peak 3358 volume 0.000e+00 ppm1 5.280 ppm2 8.770
ASSI ( resid 119 and name HA )
     ( resid 120 and name HN )
     6.0 0.1 0.1 peak 3365 volume 0.000e+00 ppm1 4.530 ppm2 8.536
ASSI ( resid 83 and name HA )
     ( resid 49 and name hg1# )
     6.0 0.1 0.1 peak 3375 volume 1.840e+03 ppm1 4.124 ppm2 0.752
ASSI ( attr store1 < 3.584 and attr store1 > 3.544 )
     ( attr store1 < 0.599 and attr store1 > 0.559 )
     6.0 0.1 0.1 peak 3376 volume 1.197e+03 ppm1 3.564 ppm2 0.579
ASSI ( attr store1 < 4.113 and attr store1 > 4.073 )
     ( attr store1 < 8.633 and attr store1 > 8.593 )
     6.0 0.1 0.1 peak 3377 volume 3.261e+03 ppm1 4.093 ppm2 8.613
ASSI ( attr store1 < 4.113 and attr store1 > 4.073 )
     ( attr store1 < 7.307 and attr store1 > 7.267 )
     6.0 0.1 0.1 peak 3378 volume 0.000e+00 ppm1 4.093 ppm2 7.287
ASSI ( resid 63 and name hd1# )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 3380 volume 0.000e+00 ppm1 0.266 ppm2 7.463
ASSI ( resid 74 and name HA )
     ( resid 76 and name HN )
     6.0 0.1 0.1 peak 3381 volume 0.000e+00 ppm1 4.423 ppm2 7.465
ASSI ( resid 80 and name HA )
     ( resid 50 and name hb# )
     6.0 0.1 0.1 peak 3382 volume 1.914e+03 ppm1 3.587 ppm2 1.708
ASSI ( resid 21 and name HB2 )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 3383 volume 1.942e+03 ppm1 3.260 ppm2 0.506
ASSI ( resid 85 and name HN )
     ( resid 86 and name HN )
     6.0 0.1 0.1 peak 3384 volume 0.000e+00 ppm1 8.200 ppm2 8.870
ASSI ( attr store1 < 2.87 and attr store1 > 2.83 )
     ( attr store1 < 0.925 and attr store1 > 0.885 )
     6.0 0.1 0.1 peak 3385 volume 5.038e+03 ppm1 2.850 ppm2 0.905
ASSI ( attr store1 < 2.986 and attr store1 > 2.946 )
     ( attr store1 < 0.922 and attr store1 > 0.882 )
     6.0 0.1 0.1 peak 3386 volume 9.480e+02 ppm1 2.966 ppm2 0.902
ASSI ( resid 101 and name HA )
     ( resid 30 and name HB3 )
     6.0 0.1 0.1 peak 3387 volume 3.830e+02 ppm1 4.883 ppm2 1.735
ASSI ( attr store1 < 8.45 and attr store1 > 8.41 )
     ( attr store1 < 8.86 and attr store1 > 8.82 )
     6.0 0.1 0.1 peak 3392 volume 7.450e+02 ppm1 8.430 ppm2 8.840
ASSI ( attr store1 < 9.336 and attr store1 > 9.296 )
     ( attr store1 < 9.595 and attr store1 > 9.555 )
     6.0 0.1 0.1 peak 3393 volume 7.450e+02 ppm1 9.316 ppm2 9.575
ASSI ( attr store1 < 8.293 and attr store1 > 8.253 )
     ( attr store1 < 8.949 and attr store1 > 8.909 )
     6.0 0.1 0.1 peak 3394 volume 2.470e+02 ppm1 8.273 ppm2 8.929
ASSI ( attr store1 < 0.921 and attr store1 > 0.881 )
     ( attr store1 < 6.86 and attr store1 > 6.82 )
     6.0 0.1 0.1 peak 3396 volume 1.001e+04 ppm1 0.901 ppm2 6.840
ASSI ( resid 61 and name hd1# )
     ( resid 112 and name hd1# )
     6.0 0.1 0.1 peak 3404 volume 9.782e+03 ppm1 0.902 ppm2 0.496
ASSI ( attr store1 < 0.922 and attr store1 > 0.882 )
     ( attr store1 < 6.678 and attr store1 > 6.638 )
     6.0 0.1 0.1 peak 3405 volume 4.249e+03 ppm1 0.902 ppm2 6.658
ASSI ( resid 61 and name hd1# )
     ( resid 112 and name hd2# )
     6.0 0.1 0.1 peak 3406 volume 4.817e+03 ppm1 0.902 ppm2 0.447
ASSI ( resid 113 and name HB3 )
     ( resid 49 and name HN )
     6.0 0.1 0.1 peak 3408 volume 4.380e+02 ppm1 2.392 ppm2 8.354
ASSI ( resid 116 and name hg2# )
     ( resid 118 and name HN )
     6.0 0.1 0.1 peak 3409 volume 6.560e+02 ppm1 0.872 ppm2 8.012
ASSI ( resid 56 and name HA )
     ( resid 55 and name HB )
     6.0 0.1 0.1 peak 3410 volume 0.000e+00 ppm1 4.878 ppm2 2.193
ASSI ( resid 56 and name HA )
     ( resid 55 and name hg# )
     6.0 0.1 0.1 peak 3411 volume 0.000e+00 ppm1 4.878 ppm2 1.024
ASSI ( resid 125 and name HA )
     ( resid 33 and name hd1# )
     6.0 0.1 0.1 peak 3413 volume 9.680e+02 ppm1 4.077 ppm2 0.506
ASSI ( resid 113 and name HB2 )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 3414 volume 6.390e+02 ppm1 2.680 ppm2 6.569
ASSI ( resid 113 and name HB3 )
     ( resid 47 and name he# )
     6.0 0.1 0.1 peak 3415 volume 1.948e+03 ppm1 2.392 ppm2 6.569
ASSI ( resid 102 and name HB3 )
     ( resid 25 and name hg1# )
     6.0 0.1 0.1 peak 3416 volume 5.130e+02 ppm1 2.421 ppm2 1.153
ASSI ( resid 102 and name HB2 )
     ( resid 25 and name hg1# )
     6.0 0.1 0.1 peak 3417 volume 3.470e+02 ppm1 3.307 ppm2 1.153
ASSI ( attr store1 < 1.48 and attr store1 > 1.44 )
     ( attr store1 < 9.925 and attr store1 > 9.885 )
     6.0 0.1 0.1 peak 3418 volume 3.657e+03 ppm1 1.460 ppm2 9.905
ASSI ( attr store1 < 4.013 and attr store1 > 3.973 )
     ( attr store1 < 0.491 and attr store1 > 0.451 )
     6.0 0.1 0.1 peak 3419 volume 1.171e+03 ppm1 3.993 ppm2 0.471
ASSI ( attr store1 < 4.646 and attr store1 > 4.606 )
     ( attr store1 < 5.619 and attr store1 > 5.579 )
     6.0 0.1 0.1 peak 3426 volume 0.000e+00 ppm1 4.626 ppm2 5.599
ASSI ( resid 108 and name HA )
     ( resid 109 and name HB2 )
     6.0 0.1 0.1 peak 3429 volume 4.500e+02 ppm1 4.903 ppm2 2.837
ASSI ( attr store1 < 4.745 and attr store1 > 4.705 )
     ( attr store1 < 1.345 and attr store1 > 1.305 )
     6.0 0.1 0.1 peak 3443 volume 2.921e+03 ppm1 4.725 ppm2 1.325
ASSI ( attr store1 < 4.755 and attr store1 > 4.715 )
     ( attr store1 < 1.533 and attr store1 > 1.493 )
     6.0 0.1 0.1 peak 3444 volume 3.373e+03 ppm1 4.735 ppm2 1.513
ASSI ( attr store1 < 5.128 and attr store1 > 5.088 )
     ( attr store1 < 0.613 and attr store1 > 0.573 )
     6.0 0.1 0.1 peak 3445 volume 0.000e+00 ppm1 5.108 ppm2 0.593
ASSI ( attr store1 < 2.837 and attr store1 > 2.797 )
     ( attr store1 < 0.682 and attr store1 > 0.642 )
     6.0 0.1 0.1 peak 3448 volume 1.204e+03 ppm1 2.817 ppm2 0.662
ASSI ( attr store1 < 1.283 and attr store1 > 1.243 )
     ( attr store1 < 0.886 and attr store1 > 0.846 )
     6.0 0.1 0.1 peak 3449 volume 0.000e+00 ppm1 1.263 ppm2 0.866
ASSI ( attr store1 < 1.938 and attr store1 > 1.898 )
     ( attr store1 < 0.49 and attr store1 > 0.45 )
     6.0 0.1 0.1 peak 3451 volume 5.100e+03 ppm1 1.918 ppm2 0.470
ASSI ( attr store1 < 1.733 and attr store1 > 1.693 )
     ( attr store1 < 0.49 and attr store1 > 0.45 )
     6.0 0.1 0.1 peak 3452 volume 5.582e+03 ppm1 1.713 ppm2 0.470
ASSI ( resid 131 and name hg1# )
     ( resid 97 and name hg2# )
     6.0 0.1 0.1 peak 3453 volume 4.860e+02 ppm1 0.850 ppm2 -0.534
ASSI ( attr store1 < 0.695 and attr store1 > 0.655 )
     ( attr store1 < -0.514 and attr store1 > -0.554 )
     6.0 0.1 0.1 peak 3454 volume 3.150e+02 ppm1 0.675 ppm2 -0.534
ASSI ( attr store1 < 0.922 and attr store1 > 0.882 )
     ( attr store1 < 9.997 and attr store1 > 9.957 )
     6.0 0.1 0.1 peak 3457 volume 1.415e+03 ppm1 0.902 ppm2 9.977
ASSI ( attr store1 < 5.659 and attr store1 > 5.619 )
     ( attr store1 < 9.999 and attr store1 > 9.959 )
     6.0 0.1 0.1 peak 3458 volume 2.080e+02 ppm1 5.639 ppm2 9.979
ASSI ( resid 45 and name HN )
     ( resid 46 and name HN )
     6.0 0.1 0.1 peak 3460 volume 1.920e+02 ppm1 8.372 ppm2 9.161
ASSI ( attr store1 < 1.085 and attr store1 > 1.045 )
     ( attr store1 < 9.089 and attr store1 > 9.049 )
     6.0 0.1 0.1 peak 3463 volume 3.132e+03 ppm1 1.065 ppm2 9.069
ASSI ( attr store1 < 1.276 and attr store1 > 1.236 )
     ( attr store1 < 8.963 and attr store1 > 8.923 )
     6.0 0.1 0.1 peak 3465 volume 3.390e+02 ppm1 1.256 ppm2 8.943
ASSI ( attr store1 < 0.208 and attr store1 > 0.168 )
     ( attr store1 < 9.227 and attr store1 > 9.187 )
     6.0 0.1 0.1 peak 3467 volume 2.790e+02 ppm1 0.188 ppm2 9.207
ASSI ( attr store1 < 0.872 and attr store1 > 0.832 )
     ( attr store1 < 8.706 and attr store1 > 8.666 )
     6.0 0.1 0.1 peak 3469 volume 1.373e+03 ppm1 0.852 ppm2 8.686
ASSI ( attr store1 < 1.755 and attr store1 > 1.715 )
     ( attr store1 < 8.88 and attr store1 > 8.84 )
     6.0 0.1 0.1 peak 3470 volume 4.867e+03 ppm1 1.735 ppm2 8.860
ASSI ( attr store1 < 1.856 and attr store1 > 1.816 )
     ( attr store1 < 8.686 and attr store1 > 8.646 )
     6.0 0.1 0.1 peak 3471 volume 3.417e+03 ppm1 1.836 ppm2 8.666
ASSI ( attr store1 < 2.079 and attr store1 > 2.039 )
     ( attr store1 < 8.668 and attr store1 > 8.628 )
     6.0 0.1 0.1 peak 3474 volume 3.535e+03 ppm1 2.059 ppm2 8.648
ASSI ( attr store1 < 4.752 and attr store1 > 4.712 )
     ( attr store1 < 7.112 and attr store1 > 7.072 )
     6.0 0.1 0.1 peak 3481 volume 8.720e+02 ppm1 4.732 ppm2 7.092
ASSI ( attr store1 < 0.141 and attr store1 > 0.101 )
     ( attr store1 < 7.157 and attr store1 > 7.117 )
     6.0 0.1 0.1 peak 3491 volume 7.660e+02 ppm1 0.121 ppm2 7.137
ASSI ( attr store1 < 1.276 and attr store1 > 1.236 )
     ( attr store1 < 7.118 and attr store1 > 7.078 )
     6.0 0.1 0.1 peak 3492 volume 1.484e+03 ppm1 1.256 ppm2 7.098
ASSI ( attr store1 < 1.164 and attr store1 > 1.124 )
     ( attr store1 < 7.106 and attr store1 > 7.066 )
     6.0 0.1 0.1 peak 3496 volume 3.520e+02 ppm1 1.144 ppm2 7.086
ASSI ( attr store1 < 1.93 and attr store1 > 1.89 )
     ( attr store1 < 6.591 and attr store1 > 6.551 )
     6.0 0.1 0.1 peak 3497 volume 1.143e+03 ppm1 1.910 ppm2 6.571
ASSI ( attr store1 < 1.268 and attr store1 > 1.228 )
     ( attr store1 < 7.025 and attr store1 > 6.985 )
     6.0 0.1 0.1 peak 3499 volume 1.700e+02 ppm1 1.248 ppm2 7.005
ASSI ( attr store1 < 2.847 and attr store1 > 2.807 )
     ( attr store1 < 7.025 and attr store1 > 6.985 )
     6.0 0.1 0.1 peak 3500 volume 2.952e+03 ppm1 2.827 ppm2 7.005
ASSI ( attr store1 < 2.548 and attr store1 > 2.508 )
     ( attr store1 < 6.89 and attr store1 > 6.85 )
     6.0 0.1 0.1 peak 3503 volume 4.970e+02 ppm1 2.528 ppm2 6.870
ASSI ( attr store1 < 3.789 and attr store1 > 3.749 )
     ( attr store1 < 6.675 and attr store1 > 6.635 )
     6.0 0.1 0.1 peak 3511 volume 1.870e+02 ppm1 3.769 ppm2 6.655
ASSI ( attr store1 < 1.686 and attr store1 > 1.646 )
     ( attr store1 < -0.516 and attr store1 > -0.556 )
     6.0 0.1 0.1 peak 3522 volume 5.090e+02 ppm1 1.666 ppm2 -0.536
ASSI ( attr store1 < 5.262 and attr store1 > 5.222 )
     ( attr store1 < 0.435 and attr store1 > 0.395 )
     6.0 0.1 0.1 peak 3525 volume 2.270e+03 ppm1 5.242 ppm2 0.415
ASSI ( attr store1 < 5.296 and attr store1 > 5.256 )
     ( attr store1 < -0.174 and attr store1 > -0.214 )
     6.0 0.1 0.1 peak 3528 volume 4.420e+02 ppm1 5.276 ppm2 -0.194
ASSI ( attr store1 < 2.993 and attr store1 > 2.953 )
     ( attr store1 < 0.432 and attr store1 > 0.392 )
     6.0 0.1 0.1 peak 3531 volume 6.660e+02 ppm1 2.973 ppm2 0.412
ASSI ( attr store1 < 2.869 and attr store1 > 2.829 )
     ( attr store1 < 0.464 and attr store1 > 0.424 )
     6.0 0.1 0.1 peak 3532 volume 2.883e+03 ppm1 2.849 ppm2 0.444
ASSI ( attr store1 < 0.554 and attr store1 > 0.514 )
     ( attr store1 < 0.284 and attr store1 > 0.244 )
     6.0 0.1 0.1 peak 3537 volume 3.494e+03 ppm1 0.534 ppm2 0.264
ASSI ( attr store1 < 0.609 and attr store1 > 0.569 )
     ( attr store1 < 0.284 and attr store1 > 0.244 )
     6.0 0.1 0.1 peak 3538 volume 1.100e+03 ppm1 0.589 ppm2 0.264
ASSI ( attr store1 < 0.466 and attr store1 > 0.426 )
     ( attr store1 < 0.2 and attr store1 > 0.16 )
     6.0 0.1 0.1 peak 3539 volume 2.056e+03 ppm1 0.446 ppm2 0.180
ASSI ( attr store1 < 0.695 and attr store1 > 0.655 )
     ( attr store1 < 0.428 and attr store1 > 0.388 )
     6.0 0.1 0.1 peak 3547 volume 1.852e+03 ppm1 0.675 ppm2 0.408
ASSI ( attr store1 < 0.754 and attr store1 > 0.714 )
     ( attr store1 < 0.436 and attr store1 > 0.396 )
     6.0 0.1 0.1 peak 3548 volume 2.366e+03 ppm1 0.734 ppm2 0.416
ASSI ( attr store1 < 0.875 and attr store1 > 0.835 )
     ( attr store1 < 0.574 and attr store1 > 0.534 )
     6.0 0.1 0.1 peak 3549 volume 3.988e+03 ppm1 0.855 ppm2 0.554
ASSI ( attr store1 < 3.287 and attr store1 > 3.247 )
     ( attr store1 < 1.166 and attr store1 > 1.126 )
     6.0 0.1 0.1 peak 3552 volume 3.100e+02 ppm1 3.267 ppm2 1.146
ASSI ( attr store1 < 2.897 and attr store1 > 2.857 )
     ( attr store1 < 1.046 and attr store1 > 1.006 )
     6.0 0.1 0.1 peak 3554 volume 3.810e+02 ppm1 2.877 ppm2 1.026
ASSI ( attr store1 < 1.874 and attr store1 > 1.834 )
     ( attr store1 < 0.746 and attr store1 > 0.706 )
     6.0 0.1 0.1 peak 3556 volume 1.914e+03 ppm1 1.854 ppm2 0.726
ASSI ( attr store1 < 3.722 and attr store1 > 3.682 )
     ( attr store1 < 1.085 and attr store1 > 1.045 )
     6.0 0.1 0.1 peak 3557 volume 1.025e+03 ppm1 3.702 ppm2 1.065
ASSI ( attr store1 < 5.269 and attr store1 > 5.229 )
     ( attr store1 < 0.726 and attr store1 > 0.686 )
     6.0 0.1 0.1 peak 3558 volume 1.097e+03 ppm1 5.249 ppm2 0.706
ASSI ( attr store1 < 4.752 and attr store1 > 4.712 )
     ( attr store1 < 0.758 and attr store1 > 0.718 )
     6.0 0.1 0.1 peak 3559 volume 5.321e+03 ppm1 4.732 ppm2 0.738
ASSI ( attr store1 < 4.493 and attr store1 > 4.453 )
     ( attr store1 < 0.758 and attr store1 > 0.718 )
     6.0 0.1 0.1 peak 3560 volume 3.040e+03 ppm1 4.473 ppm2 0.738
ASSI ( attr store1 < 4.483 and attr store1 > 4.443 )
     ( attr store1 < 0.718 and attr store1 > 0.678 )
     6.0 0.1 0.1 peak 3561 volume 6.927e+03 ppm1 4.463 ppm2 0.698
ASSI ( attr store1 < 4.382 and attr store1 > 4.342 )
     ( attr store1 < 1.085 and attr store1 > 1.045 )
     6.0 0.1 0.1 peak 3564 volume 1.857e+03 ppm1 4.362 ppm2 1.065
ASSI ( attr store1 < 4.52 and attr store1 > 4.48 )
     ( attr store1 < 1.122 and attr store1 > 1.082 )
     6.0 0.1 0.1 peak 3565 volume 4.382e+03 ppm1 4.500 ppm2 1.102
ASSI ( attr store1 < 5.602 and attr store1 > 5.562 )
     ( attr store1 < 1.474 and attr store1 > 1.434 )
     6.0 0.1 0.1 peak 3566 volume 5.530e+02 ppm1 5.582 ppm2 1.454
ASSI ( attr store1 < 5.463 and attr store1 > 5.423 )
     ( attr store1 < 2.322 and attr store1 > 2.282 )
     6.0 0.1 0.1 peak 3568 volume 9.330e+02 ppm1 5.443 ppm2 2.302
ASSI ( attr store1 < 1.985 and attr store1 > 1.945 )
     ( attr store1 < 1.583 and attr store1 > 1.543 )
     6.0 0.1 0.1 peak 3582 volume 7.140e+02 ppm1 1.965 ppm2 1.563
ASSI ( attr store1 < 3.04 and attr store1 > 3.0 )
     ( attr store1 < 2.904 and attr store1 > 2.864 )
     6.0 0.1 0.1 peak 3584 volume 6.323e+03 ppm1 3.020 ppm2 2.884
ASSI ( attr store1 < 3.598 and attr store1 > 3.558 )
     ( attr store1 < 3.055 and attr store1 > 3.015 )
     6.0 0.1 0.1 peak 3587 volume 2.150e+02 ppm1 3.578 ppm2 3.035
ASSI ( attr store1 < 4.048 and attr store1 > 4.008 )
     ( attr store1 < 2.751 and attr store1 > 2.711 )
     6.0 0.1 0.1 peak 3590 volume 1.940e+02 ppm1 4.028 ppm2 2.731
ASSI ( resid 130 and name HD2 )
     ( resid 130 and name HD3 )
     6.0 0.1 0.1 peak 3592 volume 0.000e+00 ppm1 3.872 ppm2 3.688
ASSI ( attr store1 < 3.892 and attr store1 > 3.852 )
     ( attr store1 < 3.708 and attr store1 > 3.668 )
     6.0 0.1 0.1 peak 3593 volume 0.000e+00 ppm1 3.872 ppm2 3.688
ASSI ( attr store1 < 0.87 and attr store1 > 0.83 )
     ( attr store1 < 9.803 and attr store1 > 9.763 )
     6.0 0.1 0.1 peak 3594 volume 6.920e+02 ppm1 0.850 ppm2 9.783
ASSI ( resid 97 and name HA )
     ( resid 98 and name HN )
     6.0 0.1 0.1 peak 3596 volume 0.000e+00 ppm1 4.421 ppm2 9.210
ASSI ( attr store1 < 1.036 and attr store1 > 0.996 )
     ( attr store1 < 6.519 and attr store1 > 6.479 )
     6.0 0.1 0.1 peak 3597 volume 0.000e+00 ppm1 1.016 ppm2 6.499
ASSI ( attr store1 < 1.036 and attr store1 > 0.996 )
     ( attr store1 < 6.332 and attr store1 > 6.292 )
     6.0 0.1 0.1 peak 3598 volume 0.000e+00 ppm1 1.016 ppm2 6.312
ASSI ( resid 103 and name HD21 )
     ( resid 60 and name HN )
     6.0 0.1 0.1 peak 3599 volume 1.234e+03 ppm1 7.111 ppm2 8.843
ASSI ( resid 80 and name hd1# )
     ( resid 80 and name hg1# )
     6.0 0.1 0.1 peak 3600 volume 0.000e+00 ppm1 1.459 ppm2 1.051
ASSI ( resid 80 and name hd1# )
     ( resid 80 and name HN )
     6.0 0.1 0.1 peak 3601 volume 0.000e+00 ppm1 1.459 ppm2 7.818
ASSI ( attr store1 < 3.61 and attr store1 > 3.57 )
     ( attr store1 < 8.413 and attr store1 > 8.373 )
     6.0 0.1 0.1 peak 3602 volume 0.000e+00 ppm1 3.590 ppm2 8.393
ASSI ( attr store1 < 3.636 and attr store1 > 3.596 )
     ( attr store1 < 1.323 and attr store1 > 1.283 )
     6.0 0.1 0.1 peak 3603 volume 1.630e+03 ppm1 3.616 ppm2 1.303
ASSI ( resid 28 and name HB3 )
     ( resid 28 and name hg# )
     6.0 0.1 0.1 peak 3604 volume 0.000e+00 ppm1 1.979 ppm2 1.128
ASSI ( resid 28 and name HB3 )
     ( resid 28 and name HD3 )
     6.0 0.1 0.1 peak 3605 volume 0.000e+00 ppm1 1.979 ppm2 1.378
ASSI ( resid 28 and name HB3 )
     ( resid 28 and name HD2 )
     6.0 0.1 0.1 peak 3606 volume 0.000e+00 ppm1 1.979 ppm2 1.505
ASSI ( resid 28 and name HA )
     ( resid 28 and name HB3 )
     6.0 0.1 0.1 peak 3607 volume 0.000e+00 ppm1 4.346 ppm2 1.979
ASSI ( resid 28 and name he# )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 3608 volume 0.000e+00 ppm1 2.882 ppm2 2.070
ASSI ( resid 28 and name he# )
     ( resid 28 and name HB3 )
     6.0 0.1 0.1 peak 3609 volume 0.000e+00 ppm1 2.882 ppm2 1.979
ASSI ( resid 28 and name he# )
     ( resid 28 and name HD2 )
     6.0 0.1 0.1 peak 3610 volume 0.000e+00 ppm1 2.882 ppm2 1.505
ASSI ( resid 28 and name he# )
     ( resid 28 and name HD3 )
     6.0 0.1 0.1 peak 3611 volume 0.000e+00 ppm1 2.882 ppm2 1.379
ASSI ( resid 28 and name he# )
     ( resid 28 and name hg# )
     6.0 0.1 0.1 peak 3612 volume 0.000e+00 ppm1 2.882 ppm2 1.128
ASSI ( resid 28 and name HB3 )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 3613 volume 0.000e+00 ppm1 1.979 ppm2 8.427
ASSI ( resid 91 and name hg2# )
     ( resid 91 and name HN )
     6.0 0.1 0.1 peak 3614 volume 0.000e+00 ppm1 1.207 ppm2 8.295
ASSI ( resid 90 and name HB2 )
     ( resid 91 and name HN )
     6.0 0.1 0.1 peak 3615 volume 0.000e+00 ppm1 3.166 ppm2 8.295
ASSI ( resid 91 and name HB )
     ( resid 91 and name HN )
     6.0 0.1 0.1 peak 3616 volume 0.000e+00 ppm1 4.154 ppm2 8.297
ASSI ( resid 91 and name HA )
     ( resid 91 and name HN )
     6.0 0.1 0.1 peak 3617 volume 0.000e+00 ppm1 4.259 ppm2 8.296
ASSI ( resid 90 and name HA )
     ( resid 91 and name HN )
     6.0 0.1 0.1 peak 3618 volume 0.000e+00 ppm1 4.663 ppm2 8.295
ASSI ( resid 91 and name HA )
     ( resid 91 and name hg2# )
     6.0 0.1 0.1 peak 3619 volume 0.000e+00 ppm1 4.259 ppm2 1.214
ASSI ( resid 91 and name HB )
     ( resid 91 and name hg2# )
     6.0 0.1 0.1 peak 3620 volume 0.000e+00 ppm1 4.154 ppm2 1.214
ASSI ( resid 91 and name HA )
     ( resid 91 and name HB )
     6.0 0.1 0.1 peak 3621 volume 0.000e+00 ppm1 4.259 ppm2 4.153
ASSI ( resid 96 and name HZ3 )
     ( resid 96 and name HE3 )
     6.0 0.1 0.1 peak 3622 volume 0.000e+00 ppm1 6.796 ppm2 7.321
ASSI ( resid 96 and name HZ3 )
     ( resid 96 and name HH2 )
     6.0 0.1 0.1 peak 3623 volume 0.000e+00 ppm1 6.796 ppm2 7.039
ASSI ( resid 24 and name HA )
     ( resid 110 and name HN )
     6.0 0.1 0.1 peak 3624 volume 2.932e+03 ppm1 5.033 ppm2 8.640
ASSI ( attr store1 < 2.215 and attr store1 > 2.175 )
     ( attr store1 < 9.319 and attr store1 > 9.279 )
     6.0 0.1 0.1 peak 3625 volume 0.000e+00 ppm1 2.195 ppm2 9.299
ASSI ( attr store1 < 2.215 and attr store1 > 2.175 )
     ( attr store1 < 0.493 and attr store1 > 0.453 )
     6.0 0.1 0.1 peak 3628 volume 0.000e+00 ppm1 2.195 ppm2 0.473
ASSI ( attr store1 < 4.9 and attr store1 > 4.86 )
     ( attr store1 < 4.042 and attr store1 > 4.002 )
     6.0 0.1 0.1 peak 3629 volume 0.000e+00 ppm1 4.880 ppm2 4.022
ASSI ( attr store1 < 6.598 and attr store1 > 6.558 )
     ( attr store1 < 9.319 and attr store1 > 9.279 )
     6.0 0.1 0.1 peak 3630 volume 0.000e+00 ppm1 6.578 ppm2 9.299
ASSI ( resid 84 and name HG )
     ( resid 85 and name HN )
     6.0 0.1 0.1 peak 3631 volume 0.000e+00 ppm1 1.626 ppm2 8.196
ASSI ( resid 89 and name hd# )
     ( resid 89 and name HN )
     6.0 0.1 0.1 peak 3632 volume 0.000e+00 ppm1 6.963 ppm2 8.525
ASSI ( resid 19 and name HA )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 3633 volume 0.000e+00 ppm1 4.654 ppm2 3.564
ASSI ( resid 124 and name HA )
     ( resid 124 and name hb# )
     6.0 0.1 0.1 peak 3634 volume 0.000e+00 ppm1 4.503 ppm2 3.022
ASSI ( resid 117 and name HD2 )
     ( resid 117 and name HN )
     6.0 0.1 0.1 peak 3635 volume 0.000e+00 ppm1 7.034 ppm2 9.138
ASSI ( resid 117 and name HD2 )
     ( resid 117 and name HE1 )
     6.0 0.1 0.1 peak 3636 volume 0.000e+00 ppm1 7.032 ppm2 8.003
ASSI ( resid 117 and name HB2 )
     ( resid 117 and name HD2 )
     6.0 0.1 0.1 peak 3637 volume 0.000e+00 ppm1 3.302 ppm2 7.035
ASSI ( resid 31 and name hg1# )
     ( resid 100 and name hd1# )
     6.0 0.1 0.1 peak 3639 volume 2.936e+03 ppm1 0.901 ppm2 0.122
ASSI ( resid 72 and name HB2 )
     ( resid 64 and name hd2# )
     6.0 0.1 0.1 peak 3640 volume 8.170e+02 ppm1 2.901 ppm2 0.553
ASSI ( attr store1 < 4.275 and attr store1 > 4.235 )
     ( attr store1 < 7.023 and attr store1 > 6.983 )
     6.0 0.1 0.1 peak 3641 volume 0.000e+00 ppm1 4.255 ppm2 7.003
ASSI ( resid 129 and name HB3 )
     ( resid 129 and name HN )
     6.0 0.1 0.1 peak 3642 volume 0.000e+00 ppm1 2.843 ppm2 8.991
ASSI ( resid 129 and name HB2 )
     ( resid 129 and name HN )
     6.0 0.1 0.1 peak 3643 volume 0.000e+00 ppm1 2.918 ppm2 8.991
ASSI ( resid 129 and name HA )
     ( resid 129 and name HN )
     6.0 0.1 0.1 peak 3644 volume 0.000e+00 ppm1 4.489 ppm2 8.991
ASSI ( resid 128 and name HN )
     ( resid 129 and name HN )
     6.0 0.1 0.1 peak 3645 volume 0.000e+00 ppm1 7.371 ppm2 8.991
ASSI ( resid 129 and name HA )
     ( resid 129 and name HB2 )
     6.0 0.1 0.1 peak 3646 volume 0.000e+00 ppm1 4.489 ppm2 2.916
ASSI ( resid 129 and name HA )
     ( resid 129 and name HB3 )
     6.0 0.1 0.1 peak 3647 volume 0.000e+00 ppm1 4.489 ppm2 2.841
ASSI ( resid 128 and name HA )
     ( resid 128 and name HN )
     6.0 0.1 0.1 peak 3648 volume 0.000e+00 ppm1 4.478 ppm2 7.368
ASSI ( resid 128 and name hb# )
     ( resid 128 and name HN )
     6.0 0.1 0.1 peak 3649 volume 0.000e+00 ppm1 1.732 ppm2 7.368
ASSI ( resid 128 and name hd# )
     ( resid 128 and name HN )
     6.0 0.1 0.1 peak 3650 volume 0.000e+00 ppm1 1.357 ppm2 7.368
ASSI ( resid 128 and name hg# )
     ( resid 128 and name HN )
     6.0 0.1 0.1 peak 3651 volume 0.000e+00 ppm1 1.249 ppm2 7.368
ASSI ( resid 128 and name hb# )
     ( resid 129 and name HN )
     6.0 0.1 0.1 peak 3652 volume 0.000e+00 ppm1 1.734 ppm2 8.991
ASSI ( resid 128 and name hd# )
     ( resid 129 and name HN )
     6.0 0.1 0.1 peak 3653 volume 0.000e+00 ppm1 1.357 ppm2 8.991
ASSI ( resid 128 and name hg# )
     ( resid 129 and name HN )
     6.0 0.1 0.1 peak 3654 volume 0.000e+00 ppm1 1.249 ppm2 8.991
ASSI ( resid 128 and name HN )
     ( resid 127 and name HN )
     6.0 0.1 0.1 peak 3655 volume 0.000e+00 ppm1 7.371 ppm2 8.725
ASSI ( resid 127 and name HB )
     ( resid 127 and name HN )
     6.0 0.1 0.1 peak 3656 volume 0.000e+00 ppm1 4.170 ppm2 8.723
ASSI ( resid 127 and name HB )
     ( resid 128 and name HN )
     6.0 0.1 0.1 peak 3657 volume 0.000e+00 ppm1 4.170 ppm2 7.368
ASSI ( resid 127 and name HB )
     ( resid 127 and name hg2# )
     6.0 0.1 0.1 peak 3658 volume 0.000e+00 ppm1 4.170 ppm2 1.249

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