Content for NMR-STAR saveframe, "peak_list_1_2_3_4_5_6_7_8_9_10"
save_peak_list_1_2_3_4_5_6_7_8_9_10
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10
_Spectral_peak_list.Entry_ID 18729
_Spectral_peak_list.ID 10
_Spectral_peak_list.Sample_ID 2
_Spectral_peak_list.Sample_label $13C_15N
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $Standard
_Spectral_peak_list.Experiment_ID 10
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details 'Default list'
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 1H . . 10000.00000000 . . . . . . . 18729 10
2 . . H 1 1H . . 8333.33333333 . . . . . . . 18729 10
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 18729 10
2 1.0 . . 18729 10
3 1.0 . . 18729 10
4 1.0 . . 18729 10
5 1.0 . . 18729 10
6 1.0 . . 18729 10
7 1.0 . . 18729 10
8 1.0 . . 18729 10
9 1.0 . . 18729 10
10 1.0 . . 18729 10
11 1.0 . . 18729 10
12 1.0 . . 18729 10
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270 1.0 . . 18729 10
271 1.0 . . 18729 10
272 1.0 . . 18729 10
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
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stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
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92 1 7.453 . 17.81970262530 . . . . . . . . . . 1 18729 10
92 2 7.455 . 22.23129073780 . . . . . . . . . . 1 18729 10
93 1 6.936 . 16.81715250020 . . . . . . . . . . 1 18729 10
93 2 6.935 . 18.23479930560 . . . . . . . . . . 1 18729 10
94 1 6.854 . 14.43803310390 . . . . . . . . . . 1 18729 10
94 2 6.854 . 16.75461729370 . . . . . . . . . . 1 18729 10
95 1 6.886 . 14.19425010680 . . . . . . . . . . 1 18729 10
95 2 6.886 . 16.89965526260 . . . . . . . . . . 1 18729 10
129 1 8.258 . 10.28269529340 . . . . . . . . . . 1 18729 10
129 2 3.106 . 18.46651236220 . . . . . . . . . . 1 18729 10
130 1 2.136 . 19.88351345060 . . . . . . . . . . 1 18729 10
130 2 8.811 . 14.11202053230 . . . . . . . . . . 1 18729 10
132 1 8.815 . 11.70009374620 . . . . . . . . . . 1 18729 10
132 2 3.979 . 15.88612794880 . . . . . . . . . . 1 18729 10
133 1 8.999 . 10.54376363750 . . . . . . . . . . 1 18729 10
133 2 2.023 . 33.82911284760 . . . . . . . . . . 1 18729 10
134 1 8.998 . 10.61707735060 . . . . . . . . . . 1 18729 10
134 2 2.218 . 41.17637872700 . . . . . . . . . . 1 18729 10
135 1 2.356 . 14.00709152220 . . . . . . . . . . 1 18729 10
135 2 9.005 . 15.61455428600 . . . . . . . . . . 1 18729 10
136 1 2.200 . 24.53625202180 . . . . . . . . . . 1 18729 10
136 2 8.997 . 25.06213883560 . . . . . . . . . . 1 18729 10
137 1 2.025 . 22.46439456940 . . . . . . . . . . 1 18729 10
137 2 9.002 . 15.54476718110 . . . . . . . . . . 1 18729 10
141 1 9.002 . 12.88861036300 . . . . . . . . . . 1 18729 10
141 2 4.095 . 17.40803321200 . . . . . . . . . . 1 18729 10
144 1 8.706 . 16.62969589230 . . . . . . . . . . 1 18729 10
144 2 2.857 . 37.91203101480 . . . . . . . . . . 1 18729 10
145 1 8.705 . 10.68234443660 . . . . . . . . . . 1 18729 10
145 2 2.213 . 29.01454766590 . . . . . . . . . . 1 18729 10
146 1 8.713 . 10.09672880170 . . . . . . . . . . 1 18729 10
146 2 1.671 . 15.64373572670 . . . . . . . . . . 1 18729 10
147 1 2.861 . 19.45674419400 . . . . . . . . . . 1 18729 10
147 2 7.622 . 18.60583821930 . . . . . . . . . . 1 18729 10
148 1 2.765 . 30.26187419890 . . . . . . . . . . 1 18729 10
148 2 7.624 . 20.78637480740 . . . . . . . . . . 1 18729 10
149 1 2.855 . 19.91331577300 . . . . . . . . . . 1 18729 10
149 2 8.709 . 15.99291960400 . . . . . . . . . . 1 18729 10
150 1 2.761 . 25.28607845310 . . . . . . . . . . 1 18729 10
150 2 8.712 . 16.03824396930 . . . . . . . . . . 1 18729 10
151 1 2.848 . 24.97613430020 . . . . . . . . . . 1 18729 10
151 2 8.437 . 15.19011954470 . . . . . . . . . . 1 18729 10
152 1 9.560 . 12.34650611880 . . . . . . . . . . 1 18729 10
152 2 4.505 . 23.75344435370 . . . . . . . . . . 1 18729 10
153 1 3.586 . 13.58926296230 . . . . . . . . . . 1 18729 10
153 2 8.324 . 16.73462490240 . . . . . . . . . . 1 18729 10
154 1 8.325 . 18.05573701860 . . . . . . . . . . 1 18729 10
154 2 4.310 . 16.47373040520 . . . . . . . . . . 1 18729 10
157 1 8.434 . 13.20213079450 . . . . . . . . . . 1 18729 10
157 2 3.560 . 44.11588112510 . . . . . . . . . . 1 18729 10
158 1 3.378 . 32.97030925750 . . . . . . . . . . 1 18729 10
158 2 8.431 . 12.45674987630 . . . . . . . . . . 1 18729 10
159 1 2.591 . 25.16031265260 . . . . . . . . . . 1 18729 10
159 2 8.124 . 21.24284704530 . . . . . . . . . . 1 18729 10
166 1 6.936 . 11.05517148970 . . . . . . . . . . 1 18729 10
166 2 2.951 . 17.48452583950 . . . . . . . . . . 1 18729 10
187 1 2.074 . 22.60923385620 . . . . . . . . . . 1 18729 10
187 2 8.740 . 12.39950458210 . . . . . . . . . . 1 18729 10
193 1 7.452 . 10.65433025360 . . . . . . . . . . 1 18729 10
193 2 4.416 . 15.23246367770 . . . . . . . . . . 1 18729 10
194 1 7.928 . 10.72287559510 . . . . . . . . . . 1 18729 10
194 2 4.803 . 16.79360866550 . . . . . . . . . . 1 18729 10
195 1 1.759 . 14.37127590180 . . . . . . . . . . 1 18729 10
195 2 7.933 . 14.99156157180 . . . . . . . . . . 1 18729 10
200 1 8.609 . 14.42551612850 . . . . . . . . . . 1 18729 10
200 2 2.344 . 22.65870571140 . . . . . . . . . . 1 18729 10
201 1 8.611 . 18.31203699110 . . . . . . . . . . 1 18729 10
201 2 3.813 . 27.02871958410 . . . . . . . . . . 1 18729 10
202 1 2.389 . 25.90537071230 . . . . . . . . . . 1 18729 10
202 2 8.604 . 13.06198537350 . . . . . . . . . . 1 18729 10
203 1 8.225 . 11.99811697010 . . . . . . . . . . 1 18729 10
203 2 3.032 . 22.36862977350 . . . . . . . . . . 1 18729 10
204 1 8.225 . 17.38399267200 . . . . . . . . . . 1 18729 10
204 2 4.883 . 26.88740690550 . . . . . . . . . . 1 18729 10
211 1 2.700 . 20.13385295870 . . . . . . . . . . 1 18729 10
211 2 9.448 . 15.02198477590 . . . . . . . . . . 1 18729 10
213 1 9.264 . 20.09004354480 . . . . . . . . . . 1 18729 10
213 2 3.272 . 28.75278393430 . . . . . . . . . . 1 18729 10
214 1 2.747 . 14.58883285520 . . . . . . . . . . 1 18729 10
214 2 9.260 . 15.54166277250 . . . . . . . . . . 1 18729 10
215 1 8.887 . 26.73506736760 . . . . . . . . . . 1 18729 10
215 2 3.818 . 20.07633447650 . . . . . . . . . . 1 18729 10
216 1 8.878 . 16.08312129970 . . . . . . . . . . 1 18729 10
216 2 3.044 . 26.18332703910 . . . . . . . . . . 1 18729 10
217 1 8.995 . 14.19454813000 . . . . . . . . . . 1 18729 10
217 2 1.206 . 13.86900742850 . . . . . . . . . . 1 18729 10
218 1 0.984 . 14.59121704100 . . . . . . . . . . 1 18729 10
218 2 9.262 . 15.44641951720 . . . . . . . . . . 1 18729 10
221 1 9.152 . 17.75339245800 . . . . . . . . . . 1 18729 10
221 2 1.652 . 21.01957798000 . . . . . . . . . . 1 18729 10
222 1 10.614 . 15.62938094140 . . . . . . . . . . 1 18729 10
222 2 4.857 . 24.10337328910 . . . . . . . . . . 1 18729 10
223 1 10.617 . 15.06239175800 . . . . . . . . . . 1 18729 10
223 2 3.444 . 19.04616753260 . . . . . . . . . . 1 18729 10
224 1 2.705 . 39.19720649720 . . . . . . . . . . 1 18729 10
224 2 10.614 . 13.71676723160 . . . . . . . . . . 1 18729 10
225 1 3.456 . 21.15309238430 . . . . . . . . . . 1 18729 10
225 2 10.616 . 16.46137485900 . . . . . . . . . . 1 18729 10
226 1 1.795 . 20.19226551060 . . . . . . . . . . 1 18729 10
226 2 8.744 . 26.08212331930 . . . . . . . . . . 1 18729 10
232 1 8.762 . 31.05342388150 . . . . . . . . . . 1 18729 10
232 2 1.792 . 33.57529640200 . . . . . . . . . . 1 18729 10
233 1 7.863 . 16.90477132800 . . . . . . . . . . 1 18729 10
233 2 8.763 . 17.23493138950 . . . . . . . . . . 1 18729 10
234 1 8.764 . 19.40846443180 . . . . . . . . . . 1 18729 10
234 2 7.870 . 17.95738935470 . . . . . . . . . . 1 18729 10
240 1 3.290 . 16.32988452910 . . . . . . . . . . 1 18729 10
240 2 7.999 . 21.01063728330 . . . . . . . . . . 1 18729 10
241 1 2.907 . 10.42366027830 . . . . . . . . . . 1 18729 10
241 2 7.999 . 16.38904213910 . . . . . . . . . . 1 18729 10
242 1 7.876 . 11.80142164230 . . . . . . . . . . 1 18729 10
242 2 1.929 . 18.23057730990 . . . . . . . . . . 1 18729 10
243 1 7.879 . 9.78261232376 . . . . . . . . . . 1 18729 10
243 2 1.849 . 15.78927040100 . . . . . . . . . . 1 18729 10
244 1 7.865 . 11.00629568100 . . . . . . . . . . 1 18729 10
244 2 5.042 . 16.97863141700 . . . . . . . . . . 1 18729 10
245 1 1.919 . 12.32504844670 . . . . . . . . . . 1 18729 10
245 2 7.870 . 19.37473813690 . . . . . . . . . . 1 18729 10
250 1 8.995 . 10.93536615370 . . . . . . . . . . 1 18729 10
250 2 5.264 . 13.49026958150 . . . . . . . . . . 1 18729 10
251 1 2.779 . 20.14279365540 . . . . . . . . . . 1 18729 10
251 2 8.989 . 19.32544012860 . . . . . . . . . . 1 18729 10
253 1 2.082 . 7.73489475250 . . . . . . . . . . 1 18729 10
253 2 9.610 . 17.33899116520 . . . . . . . . . . 1 18729 10
260 1 7.296 . 12.84837722780 . . . . . . . . . . 1 18729 10
260 2 2.868 . 26.90404653550 . . . . . . . . . . 1 18729 10
261 1 7.297 . 17.55684614180 . . . . . . . . . . 1 18729 10
261 2 3.377 . 15.47038555150 . . . . . . . . . . 1 18729 10
262 1 7.627 . 17.07226037980 . . . . . . . . . . 1 18729 10
262 2 7.505 . 18.41907699900 . . . . . . . . . . 1 18729 10
263 1 7.558 . 11.79337501530 . . . . . . . . . . 1 18729 10
263 2 7.343 . 21.94344997410 . . . . . . . . . . 1 18729 10
264 1 7.346 . 15.88225364690 . . . . . . . . . . 1 18729 10
264 2 7.557 . 21.68069283170 . . . . . . . . . . 1 18729 10
265 1 7.351 . 20.08497715000 . . . . . . . . . . 1 18729 10
265 2 7.222 . 39.53228394190 . . . . . . . . . . 1 18729 10
266 1 7.237 . 22.70042896270 . . . . . . . . . . 1 18729 10
266 2 7.363 . 28.02858750030 . . . . . . . . . . 1 18729 10
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 1 . . 7.995 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10
1 2 1 . . 6.852 . . 1 . 1 1 27 ASN HD21 . . . . . . . . . . 65 . 18729 10
2 1 1 . . 6.853 . . 1 . 1 1 27 ASN HD21 . . . . . . . . . . 65 . 18729 10
2 2 1 . . 7.994 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10
4 1 1 . . 8.994 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10
4 1 2 . . 8.994 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 10
5 1 1 . . 9.622 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 10
6 1 1 . . 9.565 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 10
7 1 1 . . 9.563 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 10
8 1 1 . . 9.616 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 10
9 1 1 . . 10.617 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 10
10 1 1 . . 9.450 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 10
11 1 1 . . 9.445 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 10
12 1 1 . . 8.997 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10
12 2 2 . . 3.979 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 228 . 18729 10
13 1 1 . . 8.709 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10
13 1 2 . . 8.709 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10
14 1 1 . . 9.816 . . 1 . 1 1 19 TRP HE1 . . . . . . . . . . 32 . 18729 10
14 2 1 . . 9.816 . . 1 . 1 1 19 TRP HE1 . . . . . . . . . . 32 . 18729 10
15 1 1 . . 9.618 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 10
15 2 1 . . 9.619 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 10
16 1 1 . . 9.567 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 10
16 2 1 . . 9.568 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 10
17 1 1 . . 10.615 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 10
17 2 1 . . 10.616 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 10
18 1 1 . . 9.815 . . 1 . 1 1 19 TRP HE1 . . . . . . . . . . 32 . 18729 10
18 2 1 . . 6.885 . . 1 . 1 1 19 TRP HD1 . . . . . . . . . . 300 . 18729 10
19 1 1 . . 6.888 . . 1 . 1 1 19 TRP HD1 . . . . . . . . . . 300 . 18729 10
19 2 1 . . 9.816 . . 1 . 1 1 19 TRP HE1 . . . . . . . . . . 32 . 18729 10
20 1 1 . . 9.815 . . 1 . 1 1 19 TRP HE1 . . . . . . . . . . 32 . 18729 10
21 2 1 . . 9.619 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 10
22 1 1 . . 9.267 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 10
22 1 2 . . 9.267 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 10
23 1 1 . . 9.260 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 10
24 1 1 . . 9.280 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 10
25 1 1 . . 9.278 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 10
26 1 1 . . 8.764 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 10
27 1 1 . . 9.272 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 10
27 2 1 . . 9.273 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 10
28 1 1 . . 9.261 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 10
28 2 1 . . 9.261 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 10
29 1 1 . . 9.447 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 10
29 2 1 . . 9.448 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 10
30 1 1 . . 9.149 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 10
30 2 1 . . 9.151 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 10
31 1 1 . . 9.150 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 10
32 1 1 . . 9.001 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10
32 2 1 . . 9.000 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10
33 1 1 . . 8.991 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 10
33 2 1 . . 8.992 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 10
34 1 1 . . 8.993 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 10
34 1 2 . . 8.993 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10
35 1 1 . . 8.881 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 10
35 2 1 . . 8.881 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 10
36 1 1 . . 8.811 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 10
36 2 1 . . 8.812 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 10
37 1 1 . . 8.765 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 10
37 2 1 . . 8.768 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 10
38 1 1 . . 8.741 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 10
38 2 1 . . 8.741 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 10
39 1 1 . . 8.739 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 10
39 2 1 . . 7.451 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 10
40 1 1 . . 8.740 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 10
41 1 1 . . 8.810 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 10
41 2 1 . . 2.145 . . 1 . 1 1 4 VAL HB . . . . . . . . . . 227 . 18729 10
42 1 1 . . 8.810 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 10
42 2 1 . . 0.978 . . 1 . 1 1 4 VAL MG1 . . . . . . . . . . 247 . 18729 10
43 1 1 . . 8.812 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 10
44 1 1 . . 8.707 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10
44 2 1 . . 8.707 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10
45 1 1 . . 8.694 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10
45 2 1 . . 8.695 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10
46 1 1 . . 8.695 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10
46 1 2 . . 8.695 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10
47 1 1 . . 8.694 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10
47 1 2 . . 8.694 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10
48 1 1 . . 8.709 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10
48 1 2 . . 8.709 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10
49 1 1 . . 8.609 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 10
49 2 1 . . 8.609 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 10
50 1 1 . . 8.426 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 10
50 2 1 . . 8.429 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 10
51 1 1 . . 8.412 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 10
51 2 1 . . 8.410 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 10
52 1 1 . . 8.429 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 10
52 1 2 . . 8.429 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 10
53 1 1 . . 8.434 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 10
53 1 2 . . 8.434 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 10
54 1 1 . . 8.432 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 10
54 1 2 . . 8.432 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 10
55 1 1 . . 8.328 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 10
55 2 1 . . 8.328 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 10
56 1 1 . . 8.373 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 10
56 2 1 . . 8.372 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 10
57 1 1 . . 8.373 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 10
58 1 1 . . 8.368 . . 1 . 1 1 27 ASN H . . . . . . . . . . 1 . 18729 10
59 1 1 . . 8.331 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 10
60 1 1 . . 8.322 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 10
61 1 2 . . 8.262 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 10
61 2 1 . . 8.262 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 10
62 1 1 . . 8.225 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 10
62 2 1 . . 8.224 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 10
63 1 1 . . 8.263 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 10
64 1 1 . . 8.122 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10
65 1 1 . . 8.123 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10
66 1 1 . . 8.122 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10
67 1 1 . . 8.122 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10
68 1 1 . . 8.125 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10
69 1 1 . . 8.123 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10
69 2 1 . . 8.123 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10
70 1 1 . . 7.023 . . 1 . 1 1 31 ASN HD22 . . . . . . . . . . 67 . 18729 10
70 2 1 . . 7.643 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 10
71 1 1 . . 7.034 . . 1 . 1 1 6 ASN HD22 . . . . . . . . . . 11 . 18729 10
71 2 1 . . 7.620 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 10
72 1 1 . . 7.619 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 10
72 2 1 . . 7.034 . . 1 . 1 1 6 ASN HD22 . . . . . . . . . . 11 . 18729 10
73 1 1 . . 7.645 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 10
73 2 1 . . 7.021 . . 1 . 1 1 31 ASN HD22 . . . . . . . . . . 67 . 18729 10
74 1 1 . . 7.995 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10
74 2 1 . . 7.993 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10
75 1 1 . . 7.932 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 10
75 2 1 . . 7.932 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 10
76 1 1 . . 7.873 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10
76 2 1 . . 7.874 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10
77 1 1 . . 7.994 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10
78 1 1 . . 7.997 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10
79 1 1 . . 7.994 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10
80 1 1 . . 7.928 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 10
80 2 1 . . 7.460 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 10
81 1 1 . . 7.930 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 10
81 2 1 . . 7.662 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 10
82 1 1 . . 9.447 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 10
82 2 1 . . 8.227 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 10
83 1 1 . . 9.565 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 10
83 2 1 . . 8.329 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 10
84 1 1 . . 7.662 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 10
84 2 1 . . 7.661 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 10
85 1 1 . . 7.644 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 10
85 2 1 . . 7.643 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 10
86 1 1 . . 7.622 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 10
86 2 1 . . 7.622 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 10
87 1 1 . . 7.668 . . 1 . 1 1 17 GLY H . . . . . . . . . . 20 . 18729 10
88 1 1 . . 7.620 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 10
89 1 1 . . 7.457 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 10
89 2 1 . . 7.934 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 10
90 1 1 . . 7.459 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 10
90 2 1 . . 8.746 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 10
91 1 1 . . 6.946 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 10
92 1 1 . . 7.453 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 10
92 2 1 . . 7.455 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 10
93 1 1 . . 6.936 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 10
93 2 1 . . 6.935 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 10
94 1 1 . . 6.854 . . 1 . 1 1 27 ASN HD21 . . . . . . . . . . 65 . 18729 10
94 2 1 . . 6.854 . . 1 . 1 1 27 ASN HD21 . . . . . . . . . . 65 . 18729 10
95 1 1 . . 6.886 . . 1 . 1 1 19 TRP HD1 . . . . . . . . . . 300 . 18729 10
95 2 1 . . 6.886 . . 1 . 1 1 19 TRP HD1 . . . . . . . . . . 300 . 18729 10
129 1 1 . . 8.258 . . 1 . 1 1 3 CYS H . . . . . . . . . . 54 . 18729 10
130 2 1 . . 8.811 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 10
132 1 1 . . 8.815 . . 1 . 1 1 4 VAL H . . . . . . . . . . 42 . 18729 10
132 2 1 . . 3.979 . . 1 . 1 1 4 VAL HA . . . . . . . . . . 228 . 18729 10
133 1 1 . . 8.999 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10
133 2 1 . . 2.023 . . 1 . 1 1 5 GLU HB2 . . . . . . . . . . 224 . 18729 10
134 1 1 . . 8.998 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10
134 2 1 . . 2.218 . . 1 . 1 1 5 GLU HB3 . . . . . . . . . . 225 . 18729 10
135 2 1 . . 9.005 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10
136 2 1 . . 8.997 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10
137 2 1 . . 9.002 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10
141 1 1 . . 9.002 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10
141 2 1 . . 4.095 . . 1 . 1 1 5 GLU HA . . . . . . . . . . 226 . 18729 10
144 1 1 . . 8.706 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10
144 1 2 . . 8.706 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10
145 1 1 . . 8.705 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10
145 1 2 . . 8.705 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10
146 1 1 . . 8.713 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10
146 1 2 . . 8.713 . . 1 . 1 1 31 ASN H . . . . . . . . . . 24 . 18729 10
147 1 1 . . 2.861 . . 1 . 1 1 6 ASN HB2 . . . . . . . . . . 222 . 18729 10
147 1 2 . . 2.861 . . 1 . 1 1 31 ASN HB2 . . . . . . . . . . 159 . 18729 10
148 2 1 . . 7.624 . . 1 . 1 1 6 ASN HD21 . . . . . . . . . . 7 . 18729 10
148 2 2 . . 7.624 . . 1 . 1 1 31 ASN HD21 . . . . . . . . . . 58 . 18729 10
149 2 1 . . 8.709 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10
150 2 1 . . 8.712 . . 1 . 1 1 6 ASN H . . . . . . . . . . 63 . 18729 10
151 1 1 . . 2.848 . . 1 . 1 1 9 PHE HB3 . . . . . . . . . . 214 . 18729 10
151 2 1 . . 8.437 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 10
152 1 1 . . 9.560 . . 1 . 1 1 7 GLY H . . . . . . . . . . 50 . 18729 10
153 2 1 . . 8.324 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 10
154 1 1 . . 8.325 . . 1 . 1 1 8 GLY H . . . . . . . . . . 28 . 18729 10
157 1 1 . . 8.434 . . 1 . 1 1 32 GLY H . . . . . . . . . . 44 . 18729 10
158 1 1 . . 3.378 . . 1 . 1 1 9 PHE HB2 . . . . . . . . . . 215 . 18729 10
158 2 1 . . 8.431 . . 1 . 1 1 9 PHE H . . . . . . . . . . 36 . 18729 10
159 2 1 . . 8.124 . . 1 . 1 1 12 ASP H . . . . . . . . . . 14 . 18729 10
166 1 1 . . 6.936 . . 1 . 1 1 10 CYS H . . . . . . . . . . 9 . 18729 10
187 2 1 . . 8.740 . . 1 . 1 1 14 GLU H . . . . . . . . . . 48 . 18729 10
193 1 1 . . 7.452 . . 1 . 1 1 15 LYS H . . . . . . . . . . 18 . 18729 10
194 1 1 . . 7.928 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 10
195 2 1 . . 7.933 . . 1 . 1 1 16 MET H . . . . . . . . . . 38 . 18729 10
200 1 1 . . 8.609 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 10
201 1 1 . . 8.611 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 10
202 2 1 . . 8.604 . . 1 . 1 1 18 ASP H . . . . . . . . . . 56 . 18729 10
203 1 1 . . 8.225 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 10
204 1 1 . . 8.225 . . 1 . 1 1 19 TRP H . . . . . . . . . . 46 . 18729 10
211 2 1 . . 9.448 . . 1 . 1 1 20 CYS H . . . . . . . . . . 30 . 18729 10
213 1 1 . . 9.264 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 10
213 1 2 . . 9.264 . . 1 . 1 1 26 ARG H . . . . . . . . . . 26 . 18729 10
214 2 1 . . 9.260 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 10
215 1 1 . . 8.887 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 10
216 1 1 . . 8.878 . . 1 . 1 1 22 GLY H . . . . . . . . . . 16 . 18729 10
217 1 1 . . 8.995 . . 1 . 1 1 5 GLU H . . . . . . . . . . 5 . 18729 10
218 2 1 . . 9.262 . . 1 . 1 1 21 CYS H . . . . . . . . . . 3 . 18729 10
221 1 1 . . 9.152 . . 1 . 1 1 23 ARG H . . . . . . . . . . 52 . 18729 10
222 1 1 . . 10.614 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 10
222 2 1 . . 4.857 . . 1 . 1 1 23 ARG HA . . . . . . . . . . 182 . 18729 10
223 1 1 . . 10.617 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 10
224 2 1 . . 10.614 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 10
225 2 1 . . 10.616 . . 1 . 1 1 24 CYS H . . . . . . . . . . 40 . 18729 10
226 2 1 . . 8.744 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 10
232 1 1 . . 8.762 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 10
233 1 1 . . 7.863 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10
233 2 1 . . 8.763 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 10
234 1 1 . . 8.764 . . 1 . 1 1 25 ILE H . . . . . . . . . . 12 . 18729 10
234 2 1 . . 7.870 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10
240 2 1 . . 7.999 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10
241 2 1 . . 7.999 . . 1 . 1 1 27 ASN HD22 . . . . . . . . . . 34 . 18729 10
242 1 1 . . 7.876 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10
243 1 1 . . 7.879 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10
244 1 1 . . 7.865 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10
245 2 1 . . 7.870 . . 1 . 1 1 28 GLU H . . . . . . . . . . 22 . 18729 10
250 1 1 . . 8.995 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 10
251 2 1 . . 8.989 . . 1 . 1 1 29 CYS H . . . . . . . . . . 61 . 18729 10
253 2 1 . . 9.610 . . 1 . 1 1 30 ARG H . . . . . . . . . . 59 . 18729 10
260 1 1 . . 7.296 . . 1 . 1 1 9 PHE QD . . . . . . . . . . 303 . 18729 10
260 2 1 . . 2.868 . . 1 . 1 1 9 PHE HB3 . . . . . . . . . . 214 . 18729 10
261 1 1 . . 7.297 . . 1 . 1 1 9 PHE QD . . . . . . . . . . 303 . 18729 10
261 2 1 . . 3.377 . . 1 . 1 1 9 PHE HB2 . . . . . . . . . . 215 . 18729 10
262 1 1 . . 7.627 . . 1 . 1 1 19 TRP HE3 . . . . . . . . . . 309 . 18729 10
262 2 1 . . 7.505 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 10
263 1 1 . . 7.558 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 10
263 2 1 . . 7.343 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 10
264 1 1 . . 7.346 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 10
264 2 1 . . 7.557 . . 1 . 1 1 19 TRP HZ2 . . . . . . . . . . 306 . 18729 10
265 1 1 . . 7.351 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 10
265 2 1 . . 7.222 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 10
266 1 1 . . 7.237 . . 1 . 1 1 19 TRP HZ3 . . . . . . . . . . 312 . 18729 10
266 2 1 . . 7.363 . . 1 . 1 1 19 TRP HH2 . . . . . . . . . . 311 . 18729 10
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