save_theoretical_heteronucl_NOEs_1_600NOE
_Theoretical_heteronucl_NOE_list.Sf_category theoretical_heteronucl_NOEs
_Theoretical_heteronucl_NOE_list.Sf_framecode theoretical_heteronucl_NOEs_1_600NOE
_Theoretical_heteronucl_NOE_list.Entry_ID 50166
_Theoretical_heteronucl_NOE_list.ID 1
_Theoretical_heteronucl_NOE_list.Name 600NOE
_Theoretical_heteronucl_NOE_list.Sample_condition_list_ID 1
_Theoretical_heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1_P2MIN_15N_labelled
_Theoretical_heteronucl_NOE_list.Spectrometer_frequency_1H 600
_Theoretical_heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Theoretical_heteronucl_NOE_list.NOE_ref_val 0
_Theoretical_heteronucl_NOE_list.NOE_ref_description .
_Theoretical_heteronucl_NOE_list.Details .
_Theoretical_heteronucl_NOE_list.Text_data_format text
_Theoretical_heteronucl_NOE_list.Text_data
;
# Parameter description: The steady-state NOE value.
#
# mol_name res_num res_name spin_num spin_name value error
P2MIN 1 M 1 N None None
P2MIN 2 T 2 N None None
P2MIN 3 S 3 N 0.408168332766216 0.0516520117506673
P2MIN 4 E 4 N 0.550105051612314 0.0258164821227176
P2MIN 5 W 5 N -0.0747271266793719 0.0410648640017304
P2MIN 6 E 6 N 1.01138780197346 0.0786396467295454
P2MIN 7 L 7 N 0.724954926437193 0.0441975837674569
P2MIN 8 F 8 N 0.914835093208187 0.0918748972010286
P2MIN 9 I 9 N 1.46968280227289 0.332434536301459
P2MIN 10 Y 10 N 0.862141272702066 0.0594910927268981
P2MIN 11 K 11 N None None
P2MIN 12 L 12 N 0.753430708073777 0.0330542031634837
P2MIN 13 K 13 N None None
P2MIN 14 A 14 N None None
P2MIN 15 D 15 N None None
P2MIN 16 K 16 N None None
P2MIN 17 W 17 N None None
P2MIN 18 C 18 N None None
P2MIN 19 I 19 N 0.867713467522097 0.0473931155619661
P2MIN 20 G 20 N 0.923610757398258 0.0901365757003844
P2MIN 21 E 21 N 0.954480980012895 0.0370779515871281
P2MIN 22 P 22 N None None
P2MIN 23 L 23 N 0.677296801300729 0.033701189745183
P2MIN 24 R 24 N 0.813686559572059 0.055001716174675
P2MIN 25 N 25 N 0.753482538383533 0.0289583591492696
P2MIN 26 L 26 N 0.746898938245744 0.0333227440699607
P2MIN 27 F 27 N 0.912415163941765 0.0630270191606307
P2MIN 28 M 28 N 0.712101018295606 0.0336290535790868
P2MIN 29 P 29 N None None
P2MIN 30 E 30 N 0.7937323912025 0.0426072777486837
P2MIN 31 G 31 N 0.915560540911074 0.0732252154841383
P2MIN 32 T 32 N 0.8772284673331 0.0448431226868174
P2MIN 33 R 33 N 0.67945294744036 0.0249795248583057
P2MIN 34 I 34 N 0.992168811937578 0.0521498191152079
P2MIN 35 A 35 N 0.898083918928079 0.0789617813764811
P2MIN 36 A 36 N 0.997934768731648 0.0551703679576083
P2MIN 37 V 37 N 0.71020113779374 0.0469393407735712
P2MIN 38 F 38 N 0.903080922475033 0.0901705442691541
P2MIN 39 R 39 N 0.700064635743566 0.0539844676073872
P2MIN 40 D 40 N 0.675249979215636 0.0474222866805833
P2MIN 41 N 41 N 1.03926127104834 0.0814737861031112
P2MIN 42 Q 42 N 0.978802240413615 0.0522503574530008
P2MIN 43 L 43 N 0.873802895666369 0.0283953650177034
P2MIN 44 L 44 N 0.95513108134094 0.115230151418209
P2MIN 45 H 45 N 0.86525444259188 0.0489955507900511
P2MIN 46 P 46 N None None
P2MIN 47 S 47 N 0.873846529558498 0.120460629589472
P2MIN 48 G 48 N None None
P2MIN 49 S 49 N 0.793225983162265 0.0478412336306799
P2MIN 50 T 50 N 0.844641439165626 0.0316079498240142
P2MIN 51 E 51 N 0.77734342755392 0.0388338216291258
P2MIN 52 L 52 N 0.897101189943634 0.0625016519705376
P2MIN 53 C 53 N 0.881930419010421 0.0385759940092716
P2MIN 54 E 54 N 0.716499992319155 0.0491343545085135
P2MIN 55 G 55 N 0.926362673870979 0.0862609683529049
P2MIN 56 D 56 N 0.650944086651054 0.0206403165566622
P2MIN 57 T 57 N 0.948399688599906 0.0785812702186835
P2MIN 58 L 58 N 0.785722831846306 0.0565166406747933
P2MIN 59 C 59 N 0.795479037046074 0.033775510375684
P2MIN 60 V 60 N 0.923339321856594 0.0804772015956116
P2MIN 61 M 61 N 0.721705753332209 0.0540982136297206
P2MIN 62 A 62 N 0.812284320069018 0.045153533552197
P2MIN 63 Q 63 N 0.784922579154148 0.0611098220632476
P2MIN 64 E 64 N 0.714442626860458 0.0214665094535864
P2MIN 65 R 65 N 0.812134616834644 0.0336735550943678
P2MIN 66 D 66 N 0.79841582788558 0.0287697860194147
P2MIN 67 L 67 N 0.835180829052231 0.0266505019689028
P2MIN 68 E 68 N 0.630737757320036 0.0462401605448341
P2MIN 69 S 69 N 0.861602263397083 0.0358959620686097
P2MIN 70 L 70 N 0.407307756569433 0.0323490670840826
P2MIN 71 S 71 N 0.798697278406852 0.0340519938896348
P2MIN 72 R 72 N 0.729163813957734 0.0734352874119625
P2MIN 73 L 73 N 0.736189647672901 0.0342522585864279
P2MIN 74 F 74 N 0.942989627510091 0.0913004015022672
P2MIN 75 S 75 N None None
P2MIN 76 E 76 N None None
P2MIN 77 A 77 N 0.623776042789975 0.0377660779325227
P2MIN 78 P 78 N None None
P2MIN 79 E 79 N None None
P2MIN 80 K 80 N 0.33007628979411 0.0266597972683399
P2MIN 81 A 81 N 0.780377429509992 0.0564261243354598
P2MIN 82 S 82 N 0.809977835524304 0.0639309844085826
P2MIN 83 L 83 N None None
P2MIN 84 A 84 N 0.751306877585345 0.0422362037900142
P2MIN 85 R 85 N 0.763102070802149 0.0600680063202804
P2MIN 86 F 86 N 0.69150402347397 0.0562146221596181
P2MIN 87 F 87 N 0.722573694298636 0.0803708772610199
P2MIN 88 G 88 N None None
P2MIN 89 D 89 N 0.512163102933864 0.0581037897495044
P2MIN 90 F 90 N 2.7568135220283 0.762584981119854
P2MIN 91 F 91 N 0.678049741340881 0.0651328446643643
P2MIN 92 L 92 N 0.539219056130341 0.101532976401544
P2MIN 93 D 93 N 0.875677110693124 0.0390417583970861
P2MIN 94 I 94 N 0.665609517583433 0.0337490320937822
P2MIN 95 E 95 N 0.746937244922107 0.0236299307528267
P2MIN 96 A 96 N 0.732562758294293 0.0181591387811448
P2MIN 97 K 97 N 0.800266215200003 0.0267828338322618
P2MIN 98 L 98 N 0.798861314927412 0.0160903982790532
P2MIN 99 Q 99 N 0.888303247125652 0.0633161547657181
P2MIN 100 D 100 N 0.819201329592584 0.0256239145778285
P2MIN 101 V 101 N 0.704073610912947 0.0177916729521685
P2MIN 102 A 102 N 0.762818027995693 0.0402412528834013
P2MIN 103 L 103 N 0.689084167216945 0.0246747329290955
P2MIN 104 L 104 N 0.671208121072398 0.0465753362813919
P2MIN 105 Y 105 N 0.85008624639517 0.0459867189708528
P2MIN 106 G 106 N 0.677761994518353 0.0286002197334557
P2MIN 107 L 107 N 0.851434383835598 0.0235484570415223
P2MIN 108 D 108 N 0.889536879706927 0.0302442922432555
P2MIN 109 L 109 N 0.657064227295632 0.0241174590151239
P2MIN 110 G 110 N 0.778977314173171 0.0534240408344066
P2MIN 111 E 111 N 0.994729446249612 0.0295318368693631
P2MIN 112 L 112 N 0.573609579492728 0.0311829793123168
P2MIN 113 E 113 N 0.616210444293733 0.0293790216635415
P2MIN 114 A 114 N 0.929637261274218 0.0490928443777844
P2MIN 115 D 115 N 0.732909932878365 0.0172474270894286
P2MIN 116 A 116 N 0.514971081869799 0.0140600445073491
P2MIN 117 K 117 N 0.761792919847748 0.0359561835778344
P2MIN 118 L 118 N 0.694271819214304 0.0368698826020395
P2MIN 119 K 119 N 0.880947038900819 0.0370204058398231
P2MIN 120 D 120 N 1.05514905649428 0.0398789369759905
P2MIN 121 L 121 N 0.611677782888684 0.0175243067474736
P2MIN 122 V 122 N 0.749205732706723 0.0252360380866383
P2MIN 123 L 123 N 0.87225629533526 0.0203461935276183
P2MIN 124 E 124 N 0.696591388771634 0.0334384817593859
P2MIN 125 H 125 N 0.64600153787005 0.0258707377427923
P2MIN 126 L 126 N 0.887115817725048 0.0361556221434038
P2MIN 127 G 127 N 0.832715711278093 0.0289561793463974
P2MIN 128 E 128 N 0.820238435161197 0.0176180429946915
P2MIN 129 T 129 N 0.775461033898761 0.0221117870125338
P2MIN 130 P 130 N None None
P2MIN 131 V 131 N 0.979341092774525 0.0440300600894662
P2MIN 132 L 132 N 0.759145231662112 0.0334721578415053
P2MIN 133 G 133 N None None
P2MIN 134 D 134 N 0.817720049343299 0.0324949647864668
P2MIN 135 Y 135 N -3.48834166071853 2.24482539200333
P2MIN 136 F 136 N 0.953590696894306 0.0401715943256237
P2MIN 137 E 137 N 0.939855282199711 0.0458992674393296
P2MIN 138 W 138 N 0.828665380386299 0.035027122743496
P2MIN 139 H 139 N 0.6009307167131 0.0371471169766764
P2MIN 140 G 140 N 0.808277002219677 0.0280552897058938
P2MIN 141 L 141 N 1.0200731167724 0.0388496146780288
P2MIN 142 Q 142 N 1.20295612901668 0.0982293972278105
P2MIN 143 W 143 N 0.788407014176314 0.0264801460005058
P2MIN 144 V 144 N 0.986473743148465 0.107625750130406
P2MIN 145 V 145 N 0.770535680340646 0.0499154256578031
P2MIN 146 A 146 N 0.693799569726744 0.0677410047232487
P2MIN 147 D 147 N 0.860828965770551 0.0484643656619603
P2MIN 148 V 148 N 0.674356303457989 0.018403165329136
P2MIN 149 V 149 N 0.75669283546642 0.0215098993444653
P2MIN 150 D 150 N 0.715721741193216 0.0379233896334442
P2MIN 151 W 151 N 0.695568695135144 0.0261543725894913
P2MIN 152 K 152 N 0.545955079870876 0.0175941702329156
P2MIN 153 V 153 N 0.696825303159945 0.0233748723565011
P2MIN 154 T 154 N 0.863017919787617 0.0325624609271253
P2MIN 155 K 155 N 0.94955499165777 0.0384698890921791
P2MIN 156 I 156 N 0.851855385736343 0.0592521463181984
P2MIN 157 G 157 N None None
P2MIN 158 L 158 N None None
P2MIN 159 R 159 N 1.07410708601261 0.161950412080326
P2MIN 160 E 160 N 0.927046069552541 0.0594048241760847
P2MIN 161 N 161 N 0.714166300963367 0.0667663246854461
P2MIN 162 L 162 N 1.09472027873781 0.108320873649327
P2MIN 163 Y 163 N 0.461598953284206 0.0388265139764186
P2MIN 164 F 164 N 0.940108078581322 0.0696179103984296
P2MIN 165 Q 165 N 0.213625710012162 0.0247768256409197
;
loop_
_Theoretical_heteronucl_NOE_software.Software_ID
_Theoretical_heteronucl_NOE_software.Software_label
_Theoretical_heteronucl_NOE_software.Method_ID
_Theoretical_heteronucl_NOE_software.Method_label
_Theoretical_heteronucl_NOE_software.Entry_ID
_Theoretical_heteronucl_NOE_software.Theoretical_heteronucl_NOE_list_ID
7 $software_8_Relax . . 50166 1
stop_
save_