NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
568217 |
2m6c   |
19128 | cing | 3-converted-DOCR | STAR | entry | full | 31 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2m6c
# This DOCR archive file contains, for PDB entry <2m6c>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_2m6c
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2m6c"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 2m6c"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2m6c "Master copy" rr_2m6c
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2m6c
_Assembly.ID 1
_Assembly.Name 2m6c
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 937.1165
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 "Contryphan In" 1 $Contryphan_In A . no . . . . . . rr_2m6c 1
stop_
save_
save_Contryphan_In
_Entity.Sf_category entity
_Entity.Sf_framecode Contryphan_In
_Entity.Entry_ID rr_2m6c
_Entity.ID 1
_Entity.Name Contryphan_In
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code GCVXYPWC
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 8
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 937.1165
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . GLY . rr_2m6c 1
2 . CYS . rr_2m6c 1
3 . VAL . rr_2m6c 1
4 . . . rr_2m6c 1
5 . TYR . rr_2m6c 1
6 . PRO . rr_2m6c 1
7 . TRP . rr_2m6c 1
8 . CYS . rr_2m6c 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 rr_2m6c 1
. CYS 2 2 rr_2m6c 1
. VAL 3 3 rr_2m6c 1
. . 4 4 rr_2m6c 1
. TYR 5 5 rr_2m6c 1
. PRO 6 6 rr_2m6c 1
. TRP 7 7 rr_2m6c 1
. CYS 8 8 rr_2m6c 1
stop_
save_
save_chem_comp_DLE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DLE
_Chem_comp.Entry_ID rr_2m6c
_Chem_comp.ID 1
_Chem_comp.Name Dle
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C6 H11 N O"
_Chem_comp.Formula_weight 113.159
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2m6c
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 10
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_2m6c
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Software_ID
_Conformer_family_refinement.Software_label
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . . . rr_2m6c 1
stop_
loop_
_Conformer_family_software.Software_ID
_Conformer_family_software.Software_label
_Conformer_family_software.Method_ID
_Conformer_family_software.Method_label
_Conformer_family_software.Entry_ID
_Conformer_family_software.Conformer_family_coord_set_ID
. . . . rr_2m6c 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 GLY C C 1.928 1.305 -2.006 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6c 1
. 1 . 2 . 1 1 1 GLY CA C 2.071 0.001 -1.247 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6c 1
. 1 . 3 . 1 1 1 GLY H1 H 1.811 -0.001 0.854 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6c 1
. 1 . 4 . 1 1 1 GLY HA2 H 3.116 -0.165 -1.032 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6c 1
. 1 . 5 . 1 1 1 GLY HA3 H 1.710 -0.805 -1.869 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6c 1
. 1 . 6 . 1 1 1 GLY N N 1.330 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6c 1
. 1 . 7 . 1 1 1 GLY O O 1.764 1.307 -3.227 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6c 1
. 1 . 8 . 1 1 2 CYS C C 3.174 4.162 -2.544 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6c 1
. 1 . 9 . 1 1 2 CYS CA C 1.861 3.736 -1.894 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6c 1
. 1 . 10 . 1 1 2 CYS CB C 1.439 4.769 -0.847 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6c 1
. 1 . 11 . 1 1 2 CYS H H 2.120 2.352 -0.313 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6c 1
. 1 . 12 . 1 1 2 CYS HA H 1.099 3.676 -2.656 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6c 1
. 1 . 13 . 1 1 2 CYS HB2 H 0.437 4.540 -0.511 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6c 1
. 1 . 14 . 1 1 2 CYS HB3 H 2.115 4.716 -0.007 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6c 1
. 1 . 15 . 1 1 2 CYS N N 1.988 2.418 -1.283 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6c 1
. 1 . 16 . 1 1 2 CYS O O 4.039 4.750 -1.895 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6c 1
. 1 . 17 . 1 1 2 CYS SG S 1.440 6.486 -1.454 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6c 1
. 1 . 18 . 1 1 3 VAL C C 4.859 5.691 -4.399 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6c 1
. 1 . 19 . 1 1 3 VAL CA C 4.522 4.214 -4.571 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6c 1
. 1 . 20 . 1 1 3 VAL CB C 4.371 3.905 -6.072 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6c 1
. 1 . 21 . 1 1 3 VAL CG1 C 5.653 4.239 -6.818 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6c 1
. 1 . 22 . 1 1 3 VAL CG2 C 3.989 2.447 -6.279 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6c 1
. 1 . 23 . 1 1 3 VAL H H 2.591 3.392 -4.295 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6c 1
. 1 . 24 . 1 1 3 VAL HA H 5.337 3.621 -4.182 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6c 1
. 1 . 25 . 1 1 3 VAL HB H 3.578 4.523 -6.468 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6c 1
. 1 . 26 . 1 1 3 VAL HG11 H 5.591 5.245 -7.207 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6c 1
. 1 . 27 . 1 1 3 VAL HG12 H 6.493 4.165 -6.143 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6c 1
. 1 . 28 . 1 1 3 VAL HG13 H 5.785 3.546 -7.635 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6c 1
. 1 . 29 . 1 1 3 VAL HG21 H 2.965 2.387 -6.617 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6c 1
. 1 . 30 . 1 1 3 VAL HG22 H 4.639 2.007 -7.020 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6c 1
. 1 . 31 . 1 1 3 VAL HG23 H 4.091 1.911 -5.346 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6c 1
. 1 . 32 . 1 1 3 VAL N N 3.316 3.862 -3.831 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6c 1
. 1 . 33 . 1 1 3 VAL O O 4.216 6.533 -5.025 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6c 1
. 1 . 34 . 1 1 4 . C C 6.810 7.465 -1.900 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6c 1
. 1 . 35 . 1 1 4 . CA C 6.259 7.344 -3.323 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6c 1
. 1 . 36 . 1 1 4 . CB C 7.238 7.809 -4.403 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6c 1
. 1 . 37 . 1 1 4 . CD1 C 6.124 8.605 -6.520 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6c 1
. 1 . 38 . 1 1 4 . CD2 C 7.990 9.967 -5.471 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6c 1
. 1 . 39 . 1 1 4 . CG C 6.807 9.030 -5.219 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6c 1
. 1 . 40 . 1 1 4 . H H 6.368 5.281 -3.060 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6c 1
. 1 . 41 . 1 1 4 . HA H 5.370 7.969 -3.403 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6c 1
. 1 . 42 . 1 1 4 . HB2 H 7.412 6.981 -5.089 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6c 1
. 1 . 43 . 1 1 4 . HB3 H 8.193 8.034 -3.927 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6c 1
. 1 . 44 . 1 1 4 . HD11 H 6.395 9.299 -7.316 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6c 1
. 1 . 45 . 1 1 4 . HD12 H 5.043 8.614 -6.383 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6c 1
. 1 . 46 . 1 1 4 . HD13 H 6.448 7.600 -6.789 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6c 1
. 1 . 47 . 1 1 4 . HD21 H 7.865 10.457 -6.436 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6c 1
. 1 . 48 . 1 1 4 . HD22 H 8.915 9.391 -5.473 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6c 1
. 1 . 49 . 1 1 4 . HD23 H 8.031 10.719 -4.684 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6c 1
. 1 . 50 . 1 1 4 . HG H 6.073 9.587 -4.637 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6c 1
. 1 . 51 . 1 1 4 . N N 5.850 5.971 -3.565 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6c 1
. 1 . 52 . 1 1 4 . O O 7.606 8.348 -1.581 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6c 1
. 1 . 53 . 1 1 5 TYR C C 8.314 6.583 0.449 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6c 1
. 1 . 54 . 1 1 5 TYR CA C 6.793 6.532 0.347 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6c 1
. 1 . 55 . 1 1 5 TYR CB C 6.265 5.279 1.048 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6c 1
. 1 . 56 . 1 1 5 TYR CD1 C 4.067 6.399 1.587 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6c 1
. 1 . 57 . 1 1 5 TYR CD2 C 5.021 4.950 3.221 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6c 1
. 1 . 58 . 1 1 5 TYR CE1 C 2.997 6.648 2.426 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6c 1
. 1 . 59 . 1 1 5 TYR CE2 C 3.955 5.192 4.066 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6c 1
. 1 . 60 . 1 1 5 TYR CG C 5.096 5.548 1.969 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6c 1
. 1 . 61 . 1 1 5 TYR CZ C 2.946 6.042 3.664 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6c 1
. 1 . 62 . 1 1 5 TYR H H 5.730 5.872 -1.360 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6c 1
. 1 . 63 . 1 1 5 TYR HA H 6.381 7.405 0.832 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6c 1
. 1 . 64 . 1 1 5 TYR HB2 H 5.944 4.567 0.305 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6c 1
. 1 . 65 . 1 1 5 TYR HB3 H 7.059 4.844 1.638 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6c 1
. 1 . 66 . 1 1 5 TYR HD1 H 4.110 6.872 0.617 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6c 1
. 1 . 67 . 1 1 5 TYR HD2 H 5.813 4.285 3.533 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6c 1
. 1 . 68 . 1 1 5 TYR HE1 H 2.207 7.313 2.111 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6c 1
. 1 . 69 . 1 1 5 TYR HE2 H 3.914 4.717 5.035 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6c 1
. 1 . 70 . 1 1 5 TYR HH H 1.170 5.673 4.301 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6c 1
. 1 . 71 . 1 1 5 TYR N N 6.364 6.550 -1.047 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6c 1
. 1 . 72 . 1 1 5 TYR O O 9.037 6.278 -0.500 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6c 1
. 1 . 73 . 1 1 5 TYR OH O 1.882 6.286 4.501 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6c 1
. 1 . 74 . 1 1 6 PRO C C 7.216 8.654 2.533 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6c 1
. 1 . 75 . 1 1 6 PRO CA C 7.963 7.345 2.766 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6c 1
. 1 . 76 . 1 1 6 PRO CB C 8.958 7.496 3.920 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6c 1
. 1 . 77 . 1 1 6 PRO CD C 10.247 7.099 1.946 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6c 1
. 1 . 78 . 1 1 6 PRO CG C 10.253 7.826 3.262 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6c 1
. 1 . 79 . 1 1 6 PRO HA H 7.254 6.564 2.999 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6c 1
. 1 . 80 . 1 1 6 PRO HB2 H 8.633 8.290 4.577 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6c 1
. 1 . 81 . 1 1 6 PRO HB3 H 9.020 6.569 4.470 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6c 1
. 1 . 82 . 1 1 6 PRO HD2 H 10.760 7.678 1.193 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6c 1
. 1 . 83 . 1 1 6 PRO HD3 H 10.700 6.124 2.051 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6c 1
. 1 . 84 . 1 1 6 PRO HG2 H 10.323 8.891 3.102 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6c 1
. 1 . 85 . 1 1 6 PRO HG3 H 11.074 7.483 3.875 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6c 1
. 1 . 86 . 1 1 6 PRO N N 8.813 6.979 1.630 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6c 1
. 1 . 87 . 1 1 6 PRO O O 6.282 8.985 3.263 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6c 1
. 1 . 88 . 1 1 7 TRP C C 6.040 10.511 0.011 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6c 1
. 1 . 89 . 1 1 7 TRP CA C 7.002 10.667 1.183 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6c 1
. 1 . 90 . 1 1 7 TRP CB C 8.065 11.715 0.849 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6c 1
. 1 . 91 . 1 1 7 TRP CD1 C 8.150 14.165 1.595 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6c 1
. 1 . 92 . 1 1 7 TRP CD2 C 8.221 12.688 3.277 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6c 1
. 1 . 93 . 1 1 7 TRP CE2 C 8.274 13.987 3.818 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6c 1
. 1 . 94 . 1 1 7 TRP CE3 C 8.250 11.595 4.147 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6c 1
. 1 . 95 . 1 1 7 TRP CG C 8.141 12.824 1.854 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6c 1
. 1 . 96 . 1 1 7 TRP CH2 C 8.383 13.132 6.017 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6c 1
. 1 . 97 . 1 1 7 TRP CZ2 C 8.356 14.220 5.188 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6c 1
. 1 . 98 . 1 1 7 TRP CZ3 C 8.331 11.828 5.507 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6c 1
. 1 . 99 . 1 1 7 TRP H H 8.383 9.076 0.966 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6c 1
. 1 . 100 . 1 1 7 TRP HA H 6.446 10.994 2.049 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6c 1
. 1 . 101 . 1 1 7 TRP HB2 H 9.032 11.237 0.807 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6c 1
. 1 . 102 . 1 1 7 TRP HB3 H 7.840 12.151 -0.113 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6c 1
. 1 . 103 . 1 1 7 TRP HD1 H 8.103 14.594 0.606 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6c 1
. 1 . 104 . 1 1 7 TRP HE1 H 8.252 15.848 2.849 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6c 1
. 1 . 105 . 1 1 7 TRP HE3 H 8.211 10.582 3.773 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6c 1
. 1 . 106 . 1 1 7 TRP HH2 H 8.447 13.266 7.086 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6c 1
. 1 . 107 . 1 1 7 TRP HZ2 H 8.396 15.220 5.597 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6c 1
. 1 . 108 . 1 1 7 TRP HZ3 H 8.356 10.995 6.195 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6c 1
. 1 . 109 . 1 1 7 TRP N N 7.633 9.394 1.512 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6c 1
. 1 . 110 . 1 1 7 TRP NE1 N 8.231 14.871 2.772 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6c 1
. 1 . 111 . 1 1 7 TRP O O 6.425 10.670 -1.148 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6c 1
. 1 . 112 . 1 1 8 CYS C C 3.130 11.356 -1.081 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6c 1
. 1 . 113 . 1 1 8 CYS CA C 3.767 10.020 -0.709 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6c 1
. 1 . 114 . 1 1 8 CYS CB C 2.690 9.046 -0.226 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6c 1
. 1 . 115 . 1 1 8 CYS H H 4.538 10.085 1.261 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6c 1
. 1 . 116 . 1 1 8 CYS HA H 4.246 9.608 -1.584 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6c 1
. 1 . 117 . 1 1 8 CYS HB2 H 3.008 8.604 0.707 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6c 1
. 1 . 118 . 1 1 8 CYS HB3 H 1.770 9.589 -0.066 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6c 1
. 1 . 119 . 1 1 8 CYS N N 4.785 10.198 0.319 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6c 1
. 1 . 120 . 1 1 8 CYS O O 2.597 11.516 -2.179 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6c 1
. 1 . 121 . 1 1 8 CYS SG S 2.339 7.690 -1.390 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6c 1
. 2 . 122 . 1 1 1 GLY C C 1.135 1.483 -1.156 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6c 1
. 2 . 123 . 1 1 1 GLY CA C 1.439 0.144 -0.515 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6c 1
. 2 . 124 . 1 1 1 GLY H1 H -0.445 -0.101 0.421 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6c 1
. 2 . 125 . 1 1 1 GLY HA2 H 2.445 0.163 -0.124 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6c 1
. 2 . 126 . 1 1 1 GLY HA3 H 1.372 -0.627 -1.269 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6c 1
. 2 . 127 . 1 1 1 GLY N N 0.522 -0.176 0.564 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6c 1
. 2 . 128 . 1 1 1 GLY O O -0.023 1.801 -1.429 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6c 1
. 2 . 129 . 1 1 2 CYS C C 3.321 4.049 -2.651 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6c 1
. 2 . 130 . 1 1 2 CYS CA C 2.017 3.586 -2.008 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6c 1
. 2 . 131 . 1 1 2 CYS CB C 1.560 4.605 -0.963 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6c 1
. 2 . 132 . 1 1 2 CYS H H 3.076 1.963 -1.157 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6c 1
. 2 . 133 . 1 1 2 CYS HA H 1.261 3.505 -2.775 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6c 1
. 2 . 134 . 1 1 2 CYS HB2 H 0.563 4.349 -0.633 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6c 1
. 2 . 135 . 1 1 2 CYS HB3 H 2.233 4.571 -0.120 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6c 1
. 2 . 136 . 1 1 2 CYS N N 2.177 2.272 -1.397 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6c 1
. 2 . 137 . 1 1 2 CYS O O 4.165 4.660 -1.996 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6c 1
. 2 . 138 . 1 1 2 CYS SG S 1.516 6.323 -1.570 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6c 1
. 2 . 139 . 1 1 3 VAL C C 4.973 5.627 -4.495 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6c 1
. 2 . 140 . 1 1 3 VAL CA C 4.677 4.142 -4.670 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6c 1
. 2 . 141 . 1 1 3 VAL CB C 4.543 3.830 -6.172 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6c 1
. 2 . 142 . 1 1 3 VAL CG1 C 5.817 4.207 -6.912 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6c 1
. 2 . 143 . 1 1 3 VAL CG2 C 4.209 2.361 -6.383 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6c 1
. 2 . 144 . 1 1 3 VAL H H 2.769 3.265 -4.406 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6c 1
. 2 . 145 . 1 1 3 VAL HA H 5.507 3.571 -4.278 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6c 1
. 2 . 146 . 1 1 3 VAL HB H 3.733 4.422 -6.571 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6c 1
. 2 . 147 . 1 1 3 VAL HG11 H 6.661 3.717 -6.448 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6c 1
. 2 . 148 . 1 1 3 VAL HG12 H 5.741 3.895 -7.944 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6c 1
. 2 . 149 . 1 1 3 VAL HG13 H 5.955 5.277 -6.869 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6c 1
. 2 . 150 . 1 1 3 VAL HG21 H 3.217 2.159 -6.008 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6c 1
. 2 . 151 . 1 1 3 VAL HG22 H 4.249 2.131 -7.438 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6c 1
. 2 . 152 . 1 1 3 VAL HG23 H 4.925 1.748 -5.854 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6c 1
. 2 . 153 . 1 1 3 VAL N N 3.478 3.754 -3.938 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6c 1
. 2 . 154 . 1 1 3 VAL O O 4.310 6.451 -5.123 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6c 1
. 2 . 155 . 1 1 4 . C C 6.859 7.451 -1.983 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6c 1
. 2 . 156 . 1 1 4 . CA C 6.320 7.317 -3.409 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6c 1
. 2 . 157 . 1 1 4 . CB C 7.292 7.810 -4.483 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6c 1
. 2 . 158 . 1 1 4 . CD1 C 5.993 9.238 -6.106 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6c 1
. 2 . 159 . 1 1 4 . CD2 C 8.363 9.873 -5.462 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6c 1
. 2 . 160 . 1 1 4 . CG C 7.053 9.229 -5.003 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6c 1
. 2 . 161 . 1 1 4 . H H 6.484 5.257 -3.147 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6c 1
. 2 . 162 . 1 1 4 . HA H 5.414 7.917 -3.494 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6c 1
. 2 . 163 . 1 1 4 . HB2 H 7.249 7.123 -5.328 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6c 1
. 2 . 164 . 1 1 4 . HB3 H 8.304 7.758 -4.081 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6c 1
. 2 . 165 . 1 1 4 . HD11 H 5.125 9.806 -5.771 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6c 1
. 2 . 166 . 1 1 4 . HD12 H 5.693 8.214 -6.329 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6c 1
. 2 . 167 . 1 1 4 . HD13 H 6.406 9.699 -7.003 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6c 1
. 2 . 168 . 1 1 4 . HD21 H 9.190 9.471 -4.876 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6c 1
. 2 . 169 . 1 1 4 . HD22 H 8.307 10.952 -5.319 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6c 1
. 2 . 170 . 1 1 4 . HD23 H 8.525 9.654 -6.517 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6c 1
. 2 . 171 . 1 1 4 . HG H 6.668 9.834 -4.182 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6c 1
. 2 . 172 . 1 1 4 . N N 5.950 5.933 -3.655 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6c 1
. 2 . 173 . 1 1 4 . O O 7.629 8.355 -1.659 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6c 1
. 2 . 174 . 1 1 5 TYR C C 8.373 6.609 0.374 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6c 1
. 2 . 175 . 1 1 5 TYR CA C 6.854 6.516 0.263 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6c 1
. 2 . 176 . 1 1 5 TYR CB C 6.358 5.248 0.960 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6c 1
. 2 . 177 . 1 1 5 TYR CD1 C 4.127 6.307 1.488 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6c 1
. 2 . 178 . 1 1 5 TYR CD2 C 5.110 4.880 3.125 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6c 1
. 2 . 179 . 1 1 5 TYR CE1 C 3.046 6.525 2.321 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6c 1
. 2 . 180 . 1 1 5 TYR CE2 C 4.033 5.092 3.963 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6c 1
. 2 . 181 . 1 1 5 TYR CG C 5.177 5.483 1.875 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6c 1
. 2 . 182 . 1 1 5 TYR CZ C 3.004 5.915 3.557 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6c 1
. 2 . 183 . 1 1 5 TYR H H 5.820 5.828 -1.451 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6c 1
. 2 . 184 . 1 1 5 TYR HA H 6.416 7.376 0.747 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6c 1
. 2 . 185 . 1 1 5 TYR HB2 H 6.060 4.528 0.214 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6c 1
. 2 . 186 . 1 1 5 TYR HB3 H 7.160 4.834 1.554 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6c 1
. 2 . 187 . 1 1 5 TYR HD1 H 4.163 6.783 0.519 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6c 1
. 2 . 188 . 1 1 5 TYR HD2 H 5.918 4.236 3.440 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6c 1
. 2 . 189 . 1 1 5 TYR HE1 H 2.240 7.170 2.003 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6c 1
. 2 . 190 . 1 1 5 TYR HE2 H 3.999 4.614 4.932 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6c 1
. 2 . 191 . 1 1 5 TYR HH H 1.826 5.378 4.978 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6c 1
. 2 . 192 . 1 1 5 TYR N N 6.433 6.524 -1.133 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6c 1
. 2 . 193 . 1 1 5 TYR O O 9.109 6.325 -0.571 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6c 1
. 2 . 194 . 1 1 5 TYR OH O 1.929 6.129 4.389 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6c 1
. 2 . 195 . 1 1 6 PRO C C 7.206 8.646 2.453 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6c 1
. 2 . 196 . 1 1 6 PRO CA C 7.988 7.359 2.690 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6c 1
. 2 . 197 . 1 1 6 PRO CB C 8.972 7.535 3.849 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6c 1
. 2 . 198 . 1 1 6 PRO CD C 10.282 7.176 1.882 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6c 1
. 2 . 199 . 1 1 6 PRO CG C 10.261 7.902 3.199 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6c 1
. 2 . 200 . 1 1 6 PRO HA H 7.300 6.558 2.918 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6c 1
. 2 . 201 . 1 1 6 PRO HB2 H 8.621 8.320 4.505 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6c 1
. 2 . 202 . 1 1 6 PRO HB3 H 9.056 6.610 4.399 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6c 1
. 2 . 203 . 1 1 6 PRO HD2 H 10.784 7.770 1.133 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6c 1
. 2 . 204 . 1 1 6 PRO HD3 H 10.762 6.215 1.989 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6c 1
. 2 . 205 . 1 1 6 PRO HG2 H 10.302 8.969 3.041 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6c 1
. 2 . 206 . 1 1 6 PRO HG3 H 11.087 7.581 3.817 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6c 1
. 2 . 207 . 1 1 6 PRO N N 8.855 7.017 1.558 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6c 1
. 2 . 208 . 1 1 6 PRO O O 6.259 8.950 3.178 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6c 1
. 2 . 209 . 1 1 7 TRP C C 5.994 10.472 -0.074 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6c 1
. 2 . 210 . 1 1 7 TRP CA C 6.945 10.654 1.104 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6c 1
. 2 . 211 . 1 1 7 TRP CB C 7.980 11.732 0.778 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6c 1
. 2 . 212 . 1 1 7 TRP CD1 C 7.993 14.183 1.526 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6c 1
. 2 . 213 . 1 1 7 TRP CD2 C 8.094 12.706 3.207 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6c 1
. 2 . 214 . 1 1 7 TRP CE2 C 8.108 14.006 3.750 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6c 1
. 2 . 215 . 1 1 7 TRP CE3 C 8.148 11.613 4.076 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6c 1
. 2 . 216 . 1 1 7 TRP CG C 8.019 12.842 1.784 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6c 1
. 2 . 217 . 1 1 7 TRP CH2 C 8.228 13.151 5.948 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6c 1
. 2 . 218 . 1 1 7 TRP CZ2 C 8.176 14.240 5.120 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6c 1
. 2 . 219 . 1 1 7 TRP CZ3 C 8.216 11.847 5.437 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6c 1
. 2 . 220 . 1 1 7 TRP H H 8.370 9.103 0.894 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6c 1
. 2 . 221 . 1 1 7 TRP HA H 6.375 10.965 1.967 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6c 1
. 2 . 222 . 1 1 7 TRP HB2 H 8.961 11.281 0.741 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6c 1
. 2 . 223 . 1 1 7 TRP HB3 H 7.749 12.162 -0.186 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6c 1
. 2 . 224 . 1 1 7 TRP HD1 H 7.939 14.611 0.537 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6c 1
. 2 . 225 . 1 1 7 TRP HE1 H 8.040 15.866 2.782 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6c 1
. 2 . 226 . 1 1 7 TRP HE3 H 8.140 10.600 3.701 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6c 1
. 2 . 227 . 1 1 7 TRP HH2 H 8.282 13.286 7.017 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6c 1
. 2 . 228 . 1 1 7 TRP HZ2 H 8.186 15.239 5.530 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6c 1
. 2 . 229 . 1 1 7 TRP HZ3 H 8.259 11.014 6.124 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6c 1
. 2 . 230 . 1 1 7 TRP N N 7.609 9.398 1.436 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6c 1
. 2 . 231 . 1 1 7 TRP NE1 N 8.047 14.889 2.704 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6c 1
. 2 . 232 . 1 1 7 TRP O O 6.382 10.643 -1.230 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6c 1
. 2 . 233 . 1 1 8 CYS C C 3.068 11.238 -1.182 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6c 1
. 2 . 234 . 1 1 8 CYS CA C 3.740 9.920 -0.808 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6c 1
. 2 . 235 . 1 1 8 CYS CB C 2.688 8.916 -0.333 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6c 1
. 2 . 236 . 1 1 8 CYS H H 4.497 10.004 1.167 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6c 1
. 2 . 237 . 1 1 8 CYS HA H 4.236 9.523 -1.680 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6c 1
. 2 . 238 . 1 1 8 CYS HB2 H 3.012 8.482 0.602 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6c 1
. 2 . 239 . 1 1 8 CYS HB3 H 1.752 9.432 -0.178 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6c 1
. 2 . 240 . 1 1 8 CYS N N 4.747 10.125 0.226 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6c 1
. 2 . 241 . 1 1 8 CYS O O 2.730 12.042 -0.313 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6c 1
. 2 . 242 . 1 1 8 CYS SG S 2.383 7.551 -1.499 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6c 1
. 3 . 243 . 1 1 1 GLY C C 1.723 1.226 -1.864 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6c 1
. 3 . 244 . 1 1 1 GLY CA C 1.898 -0.061 -1.083 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6c 1
. 3 . 245 . 1 1 1 GLY H1 H 0.167 -0.826 -2.032 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6c 1
. 3 . 246 . 1 1 1 GLY HA2 H 1.828 0.158 -0.028 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6c 1
. 3 . 247 . 1 1 1 GLY HA3 H 2.878 -0.465 -1.292 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6c 1
. 3 . 248 . 1 1 1 GLY N N 0.899 -1.057 -1.423 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6c 1
. 3 . 249 . 1 1 1 GLY O O 1.366 1.203 -3.042 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6c 1
. 3 . 250 . 1 1 2 CYS C C 3.144 4.071 -2.517 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6c 1
. 3 . 251 . 1 1 2 CYS CA C 1.838 3.658 -1.845 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6c 1
. 3 . 252 . 1 1 2 CYS CB C 1.425 4.712 -0.816 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6c 1
. 3 . 253 . 1 1 2 CYS H H 2.254 2.308 -0.268 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6c 1
. 3 . 254 . 1 1 2 CYS HA H 1.068 3.581 -2.598 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6c 1
. 3 . 255 . 1 1 2 CYS HB2 H 0.427 4.490 -0.465 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6c 1
. 3 . 256 . 1 1 2 CYS HB3 H 2.110 4.679 0.018 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6c 1
. 3 . 257 . 1 1 2 CYS N N 1.972 2.354 -1.206 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6c 1
. 3 . 258 . 1 1 2 CYS O O 4.015 4.674 -1.889 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6c 1
. 3 . 259 . 1 1 2 CYS SG S 1.417 6.416 -1.461 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6c 1
. 3 . 260 . 1 1 3 VAL C C 4.809 5.561 -4.421 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6c 1
. 3 . 261 . 1 1 3 VAL CA C 4.471 4.081 -4.558 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6c 1
. 3 . 262 . 1 1 3 VAL CB C 4.305 3.739 -6.050 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6c 1
. 3 . 263 . 1 1 3 VAL CG1 C 5.573 4.076 -6.820 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6c 1
. 3 . 264 . 1 1 3 VAL CG2 C 3.940 2.273 -6.223 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6c 1
. 3 . 265 . 1 1 3 VAL H H 2.544 3.263 -4.245 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6c 1
. 3 . 266 . 1 1 3 VAL HA H 5.291 3.497 -4.165 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6c 1
. 3 . 267 . 1 1 3 VAL HB H 3.499 4.339 -6.449 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6c 1
. 3 . 268 . 1 1 3 VAL HG11 H 5.608 3.493 -7.728 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6c 1
. 3 . 269 . 1 1 3 VAL HG12 H 5.578 5.128 -7.065 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6c 1
. 3 . 270 . 1 1 3 VAL HG13 H 6.435 3.844 -6.211 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6c 1
. 3 . 271 . 1 1 3 VAL HG21 H 3.962 1.780 -5.263 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6c 1
. 3 . 272 . 1 1 3 VAL HG22 H 2.949 2.197 -6.645 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6c 1
. 3 . 273 . 1 1 3 VAL HG23 H 4.650 1.800 -6.886 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6c 1
. 3 . 274 . 1 1 3 VAL N N 3.273 3.743 -3.799 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6c 1
. 3 . 275 . 1 1 3 VAL O O 4.158 6.389 -5.058 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6c 1
. 3 . 276 . 1 1 4 . C C 6.782 7.390 -1.981 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6c 1
. 3 . 277 . 1 1 4 . CA C 6.218 7.238 -3.395 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6c 1
. 3 . 278 . 1 1 4 . CB C 7.185 7.681 -4.494 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6c 1
. 3 . 279 . 1 1 4 . CD1 C 7.672 9.153 -6.483 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6c 1
. 3 . 280 . 1 1 4 . CD2 C 6.946 10.183 -4.282 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6c 1
. 3 . 281 . 1 1 4 . CG C 6.827 8.980 -5.220 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6c 1
. 3 . 282 . 1 1 4 . H H 6.331 5.181 -3.089 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6c 1
. 3 . 283 . 1 1 4 . HA H 5.327 7.861 -3.480 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6c 1
. 3 . 284 . 1 1 4 . HB2 H 7.254 6.883 -5.233 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6c 1
. 3 . 285 . 1 1 4 . HB3 H 8.176 7.795 -4.055 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6c 1
. 3 . 286 . 1 1 4 . HD11 H 7.610 8.248 -7.088 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6c 1
. 3 . 287 . 1 1 4 . HD12 H 8.710 9.333 -6.204 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6c 1
. 3 . 288 . 1 1 4 . HD13 H 7.297 10.000 -7.058 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6c 1
. 3 . 289 . 1 1 4 . HD21 H 5.976 10.386 -3.827 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6c 1
. 3 . 290 . 1 1 4 . HD22 H 7.272 11.055 -4.848 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6c 1
. 3 . 291 . 1 1 4 . HD23 H 7.674 9.964 -3.501 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6c 1
. 3 . 292 . 1 1 4 . HG H 5.785 8.919 -5.535 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6c 1
. 3 . 293 . 1 1 4 . N N 5.807 5.860 -3.603 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6c 1
. 3 . 294 . 1 1 4 . O O 7.581 8.280 -1.689 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6c 1
. 3 . 295 . 1 1 5 TYR C C 8.312 6.560 0.371 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6c 1
. 3 . 296 . 1 1 5 TYR CA C 6.789 6.505 0.286 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6c 1
. 3 . 297 . 1 1 5 TYR CB C 6.270 5.268 1.019 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6c 1
. 3 . 298 . 1 1 5 TYR CD1 C 4.078 6.399 1.558 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6c 1
. 3 . 299 . 1 1 5 TYR CD2 C 5.049 4.983 3.211 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6c 1
. 3 . 300 . 1 1 5 TYR CE1 C 3.017 6.665 2.402 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6c 1
. 3 . 301 . 1 1 5 TYR CE2 C 3.991 5.242 4.062 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6c 1
. 3 . 302 . 1 1 5 TYR CG C 5.111 5.556 1.947 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6c 1
. 3 . 303 . 1 1 5 TYR CZ C 2.978 6.085 3.653 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6c 1
. 3 . 304 . 1 1 5 TYR H H 5.710 5.808 -1.396 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6c 1
. 3 . 305 . 1 1 5 TYR HA H 6.382 7.388 0.756 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6c 1
. 3 . 306 . 1 1 5 TYR HB2 H 5.941 4.540 0.294 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6c 1
. 3 . 307 . 1 1 5 TYR HB3 H 7.070 4.845 1.609 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6c 1
. 3 . 308 . 1 1 5 TYR HD1 H 4.111 6.852 0.578 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6c 1
. 3 . 309 . 1 1 5 TYR HD2 H 5.844 4.324 3.528 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6c 1
. 3 . 310 . 1 1 5 TYR HE1 H 2.224 7.324 2.082 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6c 1
. 3 . 311 . 1 1 5 TYR HE2 H 3.961 4.788 5.041 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6c 1
. 3 . 312 . 1 1 5 TYR HH H 2.159 6.093 5.392 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6c 1
. 3 . 313 . 1 1 5 TYR N N 6.346 6.493 -1.103 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6c 1
. 3 . 314 . 1 1 5 TYR O O 9.025 6.234 -0.578 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6c 1
. 3 . 315 . 1 1 5 TYR OH O 1.923 6.346 4.496 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6c 1
. 3 . 316 . 1 1 6 PRO C C 7.234 8.674 2.421 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6c 1
. 3 . 317 . 1 1 6 PRO CA C 7.984 7.371 2.675 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6c 1
. 3 . 318 . 1 1 6 PRO CB C 8.990 7.547 3.814 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6c 1
. 3 . 319 . 1 1 6 PRO CD C 10.259 7.109 1.837 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6c 1
. 3 . 320 . 1 1 6 PRO CG C 10.279 7.864 3.137 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6c 1
. 3 . 321 . 1 1 6 PRO HA H 7.278 6.595 2.932 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6c 1
. 3 . 322 . 1 1 6 PRO HB2 H 8.672 8.356 4.458 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6c 1
. 3 . 323 . 1 1 6 PRO HB3 H 9.058 6.633 4.384 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6c 1
. 3 . 324 . 1 1 6 PRO HD2 H 10.765 7.671 1.066 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6c 1
. 3 . 325 . 1 1 6 PRO HD3 H 10.715 6.137 1.958 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6c 1
. 3 . 326 . 1 1 6 PRO HG2 H 10.346 8.925 2.953 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6c 1
. 3 . 327 . 1 1 6 PRO HG3 H 11.105 7.534 3.748 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6c 1
. 3 . 328 . 1 1 6 PRO N N 8.823 6.981 1.538 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6c 1
. 3 . 329 . 1 1 6 PRO O O 6.307 9.021 3.154 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6c 1
. 3 . 330 . 1 1 7 TRP C C 6.030 10.475 -0.130 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6c 1
. 3 . 331 . 1 1 7 TRP CA C 7.004 10.657 1.029 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6c 1
. 3 . 332 . 1 1 7 TRP CB C 8.063 11.699 0.663 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6c 1
. 3 . 333 . 1 1 7 TRP CD1 C 8.152 14.165 1.354 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6c 1
. 3 . 334 . 1 1 7 TRP CD2 C 8.240 12.725 3.067 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6c 1
. 3 . 335 . 1 1 7 TRP CE2 C 8.297 14.036 3.579 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6c 1
. 3 . 336 . 1 1 7 TRP CE3 C 8.279 11.651 3.961 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6c 1
. 3 . 337 . 1 1 7 TRP CG C 8.147 12.830 1.642 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6c 1
. 3 . 338 . 1 1 7 TRP CH2 C 8.429 13.229 5.795 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6c 1
. 3 . 339 . 1 1 7 TRP CZ2 C 8.392 14.299 4.943 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6c 1
. 3 . 340 . 1 1 7 TRP CZ3 C 8.374 11.914 5.314 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6c 1
. 3 . 341 . 1 1 7 TRP H H 8.384 9.063 0.833 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6c 1
. 3 . 342 . 1 1 7 TRP HA H 6.456 11.003 1.894 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6c 1
. 3 . 343 . 1 1 7 TRP HB2 H 9.030 11.221 0.622 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6c 1
. 3 . 344 . 1 1 7 TRP HB3 H 7.829 12.113 -0.307 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6c 1
. 3 . 345 . 1 1 7 TRP HD1 H 8.095 14.571 0.356 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6c 1
. 3 . 346 . 1 1 7 TRP HE1 H 8.263 15.875 2.569 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6c 1
. 3 . 347 . 1 1 7 TRP HE3 H 8.238 10.630 3.609 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6c 1
. 3 . 348 . 1 1 7 TRP HH2 H 8.502 13.387 6.859 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6c 1
. 3 . 349 . 1 1 7 TRP HZ2 H 8.435 15.307 5.329 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6c 1
. 3 . 350 . 1 1 7 TRP HZ3 H 8.405 11.096 6.020 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6c 1
. 3 . 351 . 1 1 7 TRP N N 7.639 9.392 1.379 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6c 1
. 3 . 352 . 1 1 7 TRP NE1 N 8.243 14.896 2.514 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6c 1
. 3 . 353 . 1 1 7 TRP O O 6.404 10.609 -1.295 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6c 1
. 3 . 354 . 1 1 8 CYS C C 3.107 11.296 -1.209 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6c 1
. 3 . 355 . 1 1 8 CYS CA C 3.750 9.969 -0.816 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6c 1
. 3 . 356 . 1 1 8 CYS CB C 2.681 9.003 -0.303 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6c 1
. 3 . 357 . 1 1 8 CYS H H 4.541 10.076 1.144 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6c 1
. 3 . 358 . 1 1 8 CYS HA H 4.222 9.540 -1.687 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6c 1
. 3 . 359 . 1 1 8 CYS HB2 H 3.008 8.582 0.637 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6c 1
. 3 . 360 . 1 1 8 CYS HB3 H 1.761 9.547 -0.147 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6c 1
. 3 . 361 . 1 1 8 CYS N N 4.779 10.169 0.197 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6c 1
. 3 . 362 . 1 1 8 CYS O O 2.409 11.918 -0.409 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6c 1
. 3 . 363 . 1 1 8 CYS SG S 2.323 7.620 -1.434 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6c 1
. 4 . 364 . 1 1 1 GLY C C 2.945 2.143 -0.697 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6c 1
. 4 . 365 . 1 1 1 GLY CA C 3.089 0.699 -0.258 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6c 1
. 4 . 366 . 1 1 1 GLY H1 H 1.159 0.241 0.484 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6c 1
. 4 . 367 . 1 1 1 GLY HA2 H 3.540 0.675 0.723 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6c 1
. 4 . 368 . 1 1 1 GLY HA3 H 3.736 0.186 -0.954 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6c 1
. 4 . 369 . 1 1 1 GLY N N 1.815 0.005 -0.205 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6c 1
. 4 . 370 . 1 1 1 GLY O O 3.725 3.004 -0.289 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6c 1
. 4 . 371 . 1 1 2 CYS C C 2.938 4.307 -2.738 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6c 1
. 4 . 372 . 1 1 2 CYS CA C 1.703 3.758 -2.029 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6c 1
. 4 . 373 . 1 1 2 CYS CB C 1.308 4.685 -0.877 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6c 1
. 4 . 374 . 1 1 2 CYS H H 1.357 1.680 -1.821 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6c 1
. 4 . 375 . 1 1 2 CYS HA H 0.889 3.709 -2.735 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6c 1
. 4 . 376 . 1 1 2 CYS HB2 H 0.349 4.375 -0.488 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6c 1
. 4 . 377 . 1 1 2 CYS HB3 H 2.049 4.610 -0.095 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6c 1
. 4 . 378 . 1 1 2 CYS N N 1.946 2.409 -1.531 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6c 1
. 4 . 379 . 1 1 2 CYS O O 3.818 4.895 -2.109 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6c 1
. 4 . 380 . 1 1 2 CYS SG S 1.172 6.439 -1.348 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6c 1
. 4 . 381 . 1 1 3 VAL C C 4.392 6.063 -4.586 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6c 1
. 4 . 382 . 1 1 3 VAL CA C 4.120 4.586 -4.847 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6c 1
. 4 . 383 . 1 1 3 VAL CB C 3.871 4.379 -6.353 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6c 1
. 4 . 384 . 1 1 3 VAL CG1 C 5.087 4.807 -7.160 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6c 1
. 4 . 385 . 1 1 3 VAL CG2 C 3.515 2.928 -6.638 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6c 1
. 4 . 386 . 1 1 3 VAL H H 2.263 3.634 -4.496 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6c 1
. 4 . 387 . 1 1 3 VAL HA H 4.993 4.015 -4.566 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6c 1
. 4 . 388 . 1 1 3 VAL HB H 3.035 4.997 -6.647 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6c 1
. 4 . 389 . 1 1 3 VAL HG11 H 5.982 4.428 -6.690 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6c 1
. 4 . 390 . 1 1 3 VAL HG12 H 5.010 4.414 -8.163 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6c 1
. 4 . 391 . 1 1 3 VAL HG13 H 5.131 5.886 -7.198 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6c 1
. 4 . 392 . 1 1 3 VAL HG21 H 4.064 2.283 -5.968 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6c 1
. 4 . 393 . 1 1 3 VAL HG22 H 2.455 2.782 -6.492 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6c 1
. 4 . 394 . 1 1 3 VAL HG23 H 3.773 2.688 -7.660 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6c 1
. 4 . 395 . 1 1 3 VAL N N 2.995 4.110 -4.051 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6c 1
. 4 . 396 . 1 1 3 VAL O O 3.659 6.910 -5.097 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6c 1
. 4 . 397 . 1 1 4 . C C 6.432 7.760 -2.107 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6c 1
. 4 . 398 . 1 1 4 . CA C 5.781 7.712 -3.490 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6c 1
. 4 . 399 . 1 1 4 . CB C 6.648 8.311 -4.599 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6c 1
. 4 . 400 . 1 1 4 . CD1 C 9.125 8.201 -4.138 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6c 1
. 4 . 401 . 1 1 4 . CD2 C 8.218 7.517 -6.406 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6c 1
. 4 . 402 . 1 1 4 . CG C 7.955 7.575 -4.900 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6c 1
. 4 . 403 . 1 1 4 . H H 6.018 5.645 -3.396 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6c 1
. 4 . 404 . 1 1 4 . HA H 4.856 8.288 -3.458 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6c 1
. 4 . 405 . 1 1 4 . HB2 H 6.888 9.340 -4.330 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6c 1
. 4 . 406 . 1 1 4 . HB3 H 6.057 8.351 -5.514 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6c 1
. 4 . 407 . 1 1 4 . HD11 H 8.758 9.018 -3.517 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6c 1
. 4 . 408 . 1 1 4 . HD12 H 9.857 8.586 -4.849 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6c 1
. 4 . 409 . 1 1 4 . HD13 H 9.593 7.446 -3.507 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6c 1
. 4 . 410 . 1 1 4 . HD21 H 8.050 6.502 -6.766 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6c 1
. 4 . 411 . 1 1 4 . HD22 H 9.249 7.808 -6.607 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6c 1
. 4 . 412 . 1 1 4 . HD23 H 7.541 8.201 -6.920 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6c 1
. 4 . 413 . 1 1 4 . HG H 7.857 6.547 -4.551 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6c 1
. 4 . 414 . 1 1 4 . N N 5.427 6.339 -3.807 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6c 1
. 4 . 415 . 1 1 4 . O O 7.203 8.663 -1.779 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6c 1
. 4 . 416 . 1 1 5 TYR C C 8.157 6.799 0.053 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6c 1
. 4 . 417 . 1 1 5 TYR CA C 6.637 6.666 0.057 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6c 1
. 4 . 418 . 1 1 5 TYR CB C 6.232 5.337 0.696 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6c 1
. 4 . 419 . 1 1 5 TYR CD1 C 4.025 6.284 1.477 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6c 1
. 4 . 420 . 1 1 5 TYR CD2 C 5.179 4.780 2.923 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6c 1
. 4 . 421 . 1 1 5 TYR CE1 C 3.011 6.408 2.408 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6c 1
. 4 . 422 . 1 1 5 TYR CE2 C 4.169 4.897 3.858 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6c 1
. 4 . 423 . 1 1 5 TYR CG C 5.125 5.469 1.718 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6c 1
. 4 . 424 . 1 1 5 TYR CZ C 3.088 5.712 3.596 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6c 1
. 4 . 425 . 1 1 5 TYR H H 5.483 6.072 -1.614 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6c 1
. 4 . 426 . 1 1 5 TYR HA H 6.218 7.476 0.637 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6c 1
. 4 . 427 . 1 1 5 TYR HB2 H 5.892 4.663 -0.075 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6c 1
. 4 . 428 . 1 1 5 TYR HB3 H 7.090 4.907 1.191 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6c 1
. 4 . 429 . 1 1 5 TYR HD1 H 3.968 6.827 0.546 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6c 1
. 4 . 430 . 1 1 5 TYR HD2 H 6.027 4.142 3.125 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6c 1
. 4 . 431 . 1 1 5 TYR HE1 H 2.164 7.046 2.203 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6c 1
. 4 . 432 . 1 1 5 TYR HE2 H 4.229 4.352 4.789 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6c 1
. 4 . 433 . 1 1 5 TYR HH H 2.438 5.689 5.406 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6c 1
. 4 . 434 . 1 1 5 TYR N N 6.102 6.761 -1.296 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6c 1
. 4 . 435 . 1 1 5 TYR O O 8.820 6.607 -0.967 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6c 1
. 4 . 436 . 1 1 5 TYR OH O 2.080 5.832 4.526 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6c 1
. 4 . 437 . 1 1 6 PRO C C 7.114 8.644 2.364 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6c 1
. 4 . 438 . 1 1 6 PRO CA C 7.945 7.368 2.441 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6c 1
. 4 . 439 . 1 1 6 PRO CB C 9.016 7.491 3.527 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6c 1
. 4 . 440 . 1 1 6 PRO CD C 10.169 7.316 1.440 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6c 1
. 4 . 441 . 1 1 6 PRO CG C 10.238 7.944 2.805 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6c 1
. 4 . 442 . 1 1 6 PRO HA H 7.299 6.531 2.664 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6c 1
. 4 . 443 . 1 1 6 PRO HB2 H 8.702 8.215 4.265 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6c 1
. 4 . 444 . 1 1 6 PRO HB3 H 9.169 6.532 3.998 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6c 1
. 4 . 445 . 1 1 6 PRO HD2 H 10.592 7.977 0.698 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6c 1
. 4 . 446 . 1 1 6 PRO HD3 H 10.680 6.364 1.436 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6c 1
. 4 . 447 . 1 1 6 PRO HG2 H 10.239 9.020 2.723 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6c 1
. 4 . 448 . 1 1 6 PRO HG3 H 11.120 7.605 3.328 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6c 1
. 4 . 449 . 1 1 6 PRO N N 8.724 7.135 1.221 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6c 1
. 4 . 450 . 1 1 6 PRO O O 6.223 8.865 3.184 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6c 1
. 4 . 451 . 1 1 7 TRP C C 5.651 10.608 0.085 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6c 1
. 4 . 452 . 1 1 7 TRP CA C 6.691 10.734 1.192 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6c 1
. 4 . 453 . 1 1 7 TRP CB C 7.669 11.864 0.865 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6c 1
. 4 . 454 . 1 1 7 TRP CD1 C 7.681 14.254 1.789 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6c 1
. 4 . 455 . 1 1 7 TRP CD2 C 7.959 12.665 3.343 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6c 1
. 4 . 456 . 1 1 7 TRP CE2 C 7.985 13.922 3.977 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6c 1
. 4 . 457 . 1 1 7 TRP CE3 C 8.112 11.514 4.121 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6c 1
. 4 . 458 . 1 1 7 TRP CG C 7.763 12.900 1.944 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6c 1
. 4 . 459 . 1 1 7 TRP CH2 C 8.308 12.916 6.089 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6c 1
. 4 . 460 . 1 1 7 TRP CZ2 C 8.160 14.059 5.351 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6c 1
. 4 . 461 . 1 1 7 TRP CZ3 C 8.286 11.652 5.485 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6c 1
. 4 . 462 . 1 1 7 TRP H H 8.134 9.247 0.754 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6c 1
. 4 . 463 . 1 1 7 TRP HA H 6.187 10.964 2.120 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6c 1
. 4 . 464 . 1 1 7 TRP HB2 H 8.654 11.448 0.715 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6c 1
. 4 . 465 . 1 1 7 TRP HB3 H 7.348 12.355 -0.043 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6c 1
. 4 . 466 . 1 1 7 TRP HD1 H 7.535 14.750 0.842 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6c 1
. 4 . 467 . 1 1 7 TRP HE1 H 7.790 15.844 3.158 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6c 1
. 4 . 468 . 1 1 7 TRP HE3 H 8.098 10.531 3.674 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6c 1
. 4 . 469 . 1 1 7 TRP HH2 H 8.446 12.975 7.158 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6c 1
. 4 . 470 . 1 1 7 TRP HZ2 H 8.178 15.026 5.832 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6c 1
. 4 . 471 . 1 1 7 TRP HZ3 H 8.407 10.774 6.103 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6c 1
. 4 . 472 . 1 1 7 TRP N N 7.412 9.479 1.376 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6c 1
. 4 . 473 . 1 1 7 TRP NE1 N 7.815 14.875 3.008 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6c 1
. 4 . 474 . 1 1 7 TRP O O 5.937 10.873 -1.083 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6c 1
. 4 . 475 . 1 1 8 CYS C C 2.626 11.359 -0.724 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6c 1
. 4 . 476 . 1 1 8 CYS CA C 3.359 10.039 -0.503 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6c 1
. 4 . 477 . 1 1 8 CYS CB C 2.375 8.972 -0.020 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6c 1
. 4 . 478 . 1 1 8 CYS H H 4.275 10.004 1.405 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6c 1
. 4 . 479 . 1 1 8 CYS HA H 3.791 9.721 -1.440 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6c 1
. 4 . 480 . 1 1 8 CYS HB2 H 2.787 8.481 0.850 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6c 1
. 4 . 481 . 1 1 8 CYS HB3 H 1.443 9.447 0.249 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6c 1
. 4 . 482 . 1 1 8 CYS N N 4.442 10.201 0.458 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6c 1
. 4 . 483 . 1 1 8 CYS O O 1.605 11.406 -1.411 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6c 1
. 4 . 484 . 1 1 8 CYS SG S 2.006 7.686 -1.256 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6c 1
. 5 . 485 . 1 1 1 GLY C C 1.373 1.274 -1.707 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6c 1
. 5 . 486 . 1 1 1 GLY CA C 1.626 -0.033 -0.981 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6c 1
. 5 . 487 . 1 1 1 GLY H1 H 0.809 0.032 0.972 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6c 1
. 5 . 488 . 1 1 1 GLY HA2 H 2.578 -0.430 -1.298 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6c 1
. 5 . 489 . 1 1 1 GLY HA3 H 0.848 -0.734 -1.246 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6c 1
. 5 . 490 . 1 1 1 GLY N N 1.640 0.128 0.461 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6c 1
. 5 . 491 . 1 1 1 GLY O O 0.536 1.341 -2.607 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6c 1
. 5 . 492 . 1 1 2 CYS C C 3.252 4.075 -2.586 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6c 1
. 5 . 493 . 1 1 2 CYS CA C 1.947 3.628 -1.932 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6c 1
. 5 . 494 . 1 1 2 CYS CB C 1.507 4.658 -0.890 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6c 1
. 5 . 495 . 1 1 2 CYS H H 2.750 2.201 -0.591 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6c 1
. 5 . 496 . 1 1 2 CYS HA H 1.185 3.552 -2.693 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6c 1
. 5 . 497 . 1 1 2 CYS HB2 H 0.510 4.414 -0.552 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6c 1
. 5 . 498 . 1 1 2 CYS HB3 H 2.185 4.621 -0.050 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6c 1
. 5 . 499 . 1 1 2 CYS N N 2.097 2.316 -1.315 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6c 1
. 5 . 500 . 1 1 2 CYS O O 4.107 4.680 -1.940 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6c 1
. 5 . 501 . 1 1 2 CYS SG S 1.478 6.373 -1.505 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6c 1
. 5 . 502 . 1 1 3 VAL C C 4.908 5.625 -4.449 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6c 1
. 5 . 503 . 1 1 3 VAL CA C 4.596 4.142 -4.614 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6c 1
. 5 . 504 . 1 1 3 VAL CB C 4.449 3.824 -6.114 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6c 1
. 5 . 505 . 1 1 3 VAL CG1 C 5.703 4.229 -6.872 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6c 1
. 5 . 506 . 1 1 3 VAL CG2 C 4.147 2.347 -6.317 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6c 1
. 5 . 507 . 1 1 3 VAL H H 2.680 3.288 -4.332 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6c 1
. 5 . 508 . 1 1 3 VAL HA H 5.422 3.565 -4.224 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6c 1
. 5 . 509 . 1 1 3 VAL HB H 3.619 4.396 -6.503 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6c 1
. 5 . 510 . 1 1 3 VAL HG11 H 5.833 3.581 -7.725 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6c 1
. 5 . 511 . 1 1 3 VAL HG12 H 5.608 5.252 -7.206 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6c 1
. 5 . 512 . 1 1 3 VAL HG13 H 6.561 4.142 -6.221 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6c 1
. 5 . 513 . 1 1 3 VAL HG21 H 4.966 1.756 -5.936 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6c 1
. 5 . 514 . 1 1 3 VAL HG22 H 3.241 2.089 -5.790 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6c 1
. 5 . 515 . 1 1 3 VAL HG23 H 4.019 2.147 -7.371 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6c 1
. 5 . 516 . 1 1 3 VAL N N 3.397 3.772 -3.872 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6c 1
. 5 . 517 . 1 1 3 VAL O O 4.250 6.453 -5.077 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6c 1
. 5 . 518 . 1 1 4 . C C 6.829 7.444 -1.960 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6c 1
. 5 . 519 . 1 1 4 . CA C 6.279 7.307 -3.381 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6c 1
. 5 . 520 . 1 1 4 . CB C 7.250 7.785 -4.464 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6c 1
. 5 . 521 . 1 1 4 . CD1 C 6.080 9.175 -6.213 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6c 1
. 5 . 522 . 1 1 4 . CD2 C 8.339 9.896 -5.310 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6c 1
. 5 . 523 . 1 1 4 . CG C 7.013 9.198 -5.000 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6c 1
. 5 . 524 . 1 1 4 . H H 6.424 5.247 -3.109 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6c 1
. 5 . 525 . 1 1 4 . HA H 5.379 7.916 -3.463 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6c 1
. 5 . 526 . 1 1 4 . HB2 H 7.202 7.087 -5.300 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6c 1
. 5 . 527 . 1 1 4 . HB3 H 8.262 7.734 -4.064 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6c 1
. 5 . 528 . 1 1 4 . HD11 H 5.988 10.182 -6.619 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6c 1
. 5 . 529 . 1 1 4 . HD12 H 5.098 8.814 -5.909 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6c 1
. 5 . 530 . 1 1 4 . HD13 H 6.491 8.512 -6.975 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6c 1
. 5 . 531 . 1 1 4 . HD21 H 9.132 9.152 -5.387 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6c 1
. 5 . 532 . 1 1 4 . HD22 H 8.576 10.597 -4.510 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6c 1
. 5 . 533 . 1 1 4 . HD23 H 8.254 10.436 -6.253 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6c 1
. 5 . 534 . 1 1 4 . HG H 6.517 9.780 -4.224 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6c 1
. 5 . 535 . 1 1 4 . N N 5.894 5.926 -3.616 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6c 1
. 5 . 536 . 1 1 4 . O O 7.610 8.342 -1.645 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6c 1
. 5 . 537 . 1 1 5 TYR C C 8.350 6.599 0.393 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6c 1
. 5 . 538 . 1 1 5 TYR CA C 6.830 6.520 0.292 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6c 1
. 5 . 539 . 1 1 5 TYR CB C 6.325 5.262 0.999 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6c 1
. 5 . 540 . 1 1 5 TYR CD1 C 4.107 6.344 1.534 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6c 1
. 5 . 541 . 1 1 5 TYR CD2 C 5.090 4.923 3.176 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6c 1
. 5 . 542 . 1 1 5 TYR CE1 C 3.034 6.578 2.372 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6c 1
. 5 . 543 . 1 1 5 TYR CE2 C 4.020 5.150 4.020 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6c 1
. 5 . 544 . 1 1 5 TYR CG C 5.152 5.514 1.920 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6c 1
. 5 . 545 . 1 1 5 TYR CZ C 2.995 5.978 3.614 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6c 1
. 5 . 546 . 1 1 5 TYR H H 5.778 5.834 -1.411 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6c 1
. 5 . 547 . 1 1 5 TYR HA H 6.403 7.388 0.774 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6c 1
. 5 . 548 . 1 1 5 TYR HB2 H 6.015 4.541 0.259 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6c 1
. 5 . 549 . 1 1 5 TYR HB3 H 7.126 4.843 1.590 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6c 1
. 5 . 550 . 1 1 5 TYR HD1 H 4.140 6.812 0.561 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6c 1
. 5 . 551 . 1 1 5 TYR HD2 H 5.895 4.275 3.491 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6c 1
. 5 . 552 . 1 1 5 TYR HE1 H 2.231 7.226 2.055 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6c 1
. 5 . 553 . 1 1 5 TYR HE2 H 3.990 4.681 4.992 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6c 1
. 5 . 554 . 1 1 5 TYR HH H 1.255 5.540 4.303 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6c 1
. 5 . 555 . 1 1 5 TYR N N 6.400 6.525 -1.101 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6c 1
. 5 . 556 . 1 1 5 TYR O O 9.077 6.302 -0.555 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6c 1
. 5 . 557 . 1 1 5 TYR OH O 1.928 6.208 4.452 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6c 1
. 5 . 558 . 1 1 6 PRO C C 7.218 8.659 2.469 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6c 1
. 5 . 559 . 1 1 6 PRO CA C 7.987 7.364 2.707 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6c 1
. 5 . 560 . 1 1 6 PRO CB C 8.980 7.537 3.859 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6c 1
. 5 . 561 . 1 1 6 PRO CD C 10.274 7.154 1.886 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6c 1
. 5 . 562 . 1 1 6 PRO CG C 10.269 7.887 3.199 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6c 1
. 5 . 563 . 1 1 6 PRO HA H 7.293 6.572 2.944 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6c 1
. 5 . 564 . 1 1 6 PRO HB2 H 8.643 8.328 4.513 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6c 1
. 5 . 565 . 1 1 6 PRO HB3 H 9.059 6.613 4.413 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6c 1
. 5 . 566 . 1 1 6 PRO HD2 H 10.777 7.739 1.130 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6c 1
. 5 . 567 . 1 1 6 PRO HD3 H 10.745 6.188 1.994 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6c 1
. 5 . 568 . 1 1 6 PRO HG2 H 10.320 8.952 3.034 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6c 1
. 5 . 569 . 1 1 6 PRO HG3 H 11.096 7.561 3.813 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6c 1
. 5 . 570 . 1 1 6 PRO N N 8.843 7.008 1.571 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6c 1
. 5 . 571 . 1 1 6 PRO O O 6.278 8.976 3.198 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6c 1
. 5 . 572 . 1 1 7 TRP C C 6.007 10.484 -0.060 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6c 1
. 5 . 573 . 1 1 7 TRP CA C 6.968 10.662 1.110 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6c 1
. 5 . 574 . 1 1 7 TRP CB C 8.012 11.727 0.771 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6c 1
. 5 . 575 . 1 1 7 TRP CD1 C 8.055 14.181 1.507 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6c 1
. 5 . 576 . 1 1 7 TRP CD2 C 8.153 12.712 3.195 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6c 1
. 5 . 577 . 1 1 7 TRP CE2 C 8.184 14.015 3.730 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6c 1
. 5 . 578 . 1 1 7 TRP CE3 C 8.202 11.624 4.069 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6c 1
. 5 . 579 . 1 1 7 TRP CG C 8.070 12.842 1.771 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6c 1
. 5 . 580 . 1 1 7 TRP CH2 C 8.310 13.170 5.933 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6c 1
. 5 . 581 . 1 1 7 TRP CZ2 C 8.263 14.255 5.100 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6c 1
. 5 . 582 . 1 1 7 TRP CZ3 C 8.281 11.863 5.428 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6c 1
. 5 . 583 . 1 1 7 TRP H H 8.376 9.095 0.899 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6c 1
. 5 . 584 . 1 1 7 TRP HA H 6.407 10.983 1.975 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6c 1
. 5 . 585 . 1 1 7 TRP HB2 H 8.987 11.266 0.730 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6c 1
. 5 . 586 . 1 1 7 TRP HB3 H 7.779 12.155 -0.193 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6c 1
. 5 . 587 . 1 1 7 TRP HD1 H 7.999 14.605 0.516 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6c 1
. 5 . 588 . 1 1 7 TRP HE1 H 8.128 15.871 2.754 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6c 1
. 5 . 589 . 1 1 7 TRP HE3 H 8.180 10.609 3.700 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6c 1
. 5 . 590 . 1 1 7 TRP HH2 H 8.372 13.310 7.001 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6c 1
. 5 . 591 . 1 1 7 TRP HZ2 H 8.286 15.256 5.504 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6c 1
. 5 . 592 . 1 1 7 TRP HZ3 H 8.320 11.034 6.119 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6c 1
. 5 . 593 . 1 1 7 TRP N N 7.621 9.401 1.444 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6c 1
. 5 . 594 . 1 1 7 TRP NE1 N 8.124 14.893 2.681 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6c 1
. 5 . 595 . 1 1 7 TRP O O 6.389 10.645 -1.220 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6c 1
. 5 . 596 . 1 1 8 CYS C C 3.083 11.273 -1.154 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6c 1
. 5 . 597 . 1 1 8 CYS CA C 3.743 9.950 -0.776 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6c 1
. 5 . 598 . 1 1 8 CYS CB C 2.683 8.960 -0.288 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6c 1
. 5 . 599 . 1 1 8 CYS H H 4.514 10.036 1.193 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6c 1
. 5 . 600 . 1 1 8 CYS HA H 4.229 9.542 -1.649 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6c 1
. 5 . 601 . 1 1 8 CYS HB2 H 3.010 8.527 0.646 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6c 1
. 5 . 602 . 1 1 8 CYS HB3 H 1.755 9.488 -0.129 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6c 1
. 5 . 603 . 1 1 8 CYS N N 4.759 10.151 0.250 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6c 1
. 5 . 604 . 1 1 8 CYS O O 2.378 11.879 -0.347 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6c 1
. 5 . 605 . 1 1 8 CYS SG S 2.353 7.593 -1.446 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6c 1
. 6 . 606 . 1 1 1 GLY C C 1.826 1.255 -1.915 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6c 1
. 6 . 607 . 1 1 1 GLY CA C 1.964 -0.035 -1.129 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6c 1
. 6 . 608 . 1 1 1 GLY H1 H 3.594 -1.309 -1.578 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6c 1
. 6 . 609 . 1 1 1 GLY HA2 H 1.350 -0.793 -1.592 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6c 1
. 6 . 610 . 1 1 1 GLY HA3 H 1.613 0.133 -0.121 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6c 1
. 6 . 611 . 1 1 1 GLY N N 3.334 -0.508 -1.076 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6c 1
. 6 . 612 . 1 1 1 GLY O O 1.648 1.232 -3.133 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6c 1
. 6 . 613 . 1 1 2 CYS C C 3.100 4.089 -2.522 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6c 1
. 6 . 614 . 1 1 2 CYS CA C 1.787 3.688 -1.856 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6c 1
. 6 . 615 . 1 1 2 CYS CB C 1.379 4.746 -0.829 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6c 1
. 6 . 616 . 1 1 2 CYS H H 2.049 2.336 -0.248 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6c 1
. 6 . 617 . 1 1 2 CYS HA H 1.020 3.618 -2.612 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6c 1
. 6 . 618 . 1 1 2 CYS HB2 H 0.378 4.533 -0.482 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6c 1
. 6 . 619 . 1 1 2 CYS HB3 H 2.061 4.705 0.008 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6c 1
. 6 . 620 . 1 1 2 CYS N N 1.906 2.382 -1.217 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6c 1
. 6 . 621 . 1 1 2 CYS O O 3.973 4.683 -1.890 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6c 1
. 6 . 622 . 1 1 2 CYS SG S 1.391 6.450 -1.472 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6c 1
. 6 . 623 . 1 1 3 VAL C C 4.787 5.563 -4.418 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6c 1
. 6 . 624 . 1 1 3 VAL CA C 4.436 4.086 -4.556 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6c 1
. 6 . 625 . 1 1 3 VAL CB C 4.274 3.746 -6.050 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6c 1
. 6 . 626 . 1 1 3 VAL CG1 C 5.562 4.034 -6.806 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6c 1
. 6 . 627 . 1 1 3 VAL CG2 C 3.857 2.293 -6.223 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6c 1
. 6 . 628 . 1 1 3 VAL H H 2.500 3.286 -4.253 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6c 1
. 6 . 629 . 1 1 3 VAL HA H 5.249 3.495 -4.160 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6c 1
. 6 . 630 . 1 1 3 VAL HB H 3.495 4.373 -6.459 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6c 1
. 6 . 631 . 1 1 3 VAL HG11 H 5.403 3.871 -7.862 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6c 1
. 6 . 632 . 1 1 3 VAL HG12 H 5.857 5.059 -6.639 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6c 1
. 6 . 633 . 1 1 3 VAL HG13 H 6.341 3.373 -6.455 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6c 1
. 6 . 634 . 1 1 3 VAL HG21 H 3.835 1.808 -5.259 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6c 1
. 6 . 635 . 1 1 3 VAL HG22 H 2.875 2.252 -6.670 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6c 1
. 6 . 636 . 1 1 3 VAL HG23 H 4.566 1.789 -6.864 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6c 1
. 6 . 637 . 1 1 3 VAL N N 3.231 3.760 -3.803 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6c 1
. 6 . 638 . 1 1 3 VAL O O 4.148 6.397 -5.058 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6c 1
. 6 . 639 . 1 1 4 . C C 6.766 7.373 -1.969 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6c 1
. 6 . 640 . 1 1 4 . CA C 6.207 7.227 -3.385 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6c 1
. 6 . 641 . 1 1 4 . CB C 7.184 7.661 -4.480 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6c 1
. 6 . 642 . 1 1 4 . CD1 C 7.830 9.222 -6.352 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6c 1
. 6 . 643 . 1 1 4 . CD2 C 6.583 10.105 -4.327 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6c 1
. 6 . 644 . 1 1 4 . CG C 6.797 8.916 -5.265 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6c 1
. 6 . 645 . 1 1 4 . H H 6.299 5.169 -3.079 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6c 1
. 6 . 646 . 1 1 4 . HA H 5.323 7.858 -3.474 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6c 1
. 6 . 647 . 1 1 4 . HB2 H 7.298 6.837 -5.184 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6c 1
. 6 . 648 . 1 1 4 . HB3 H 8.159 7.828 -4.023 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6c 1
. 6 . 649 . 1 1 4 . HD11 H 7.461 8.867 -7.314 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6c 1
. 6 . 650 . 1 1 4 . HD12 H 8.768 8.720 -6.114 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6c 1
. 6 . 651 . 1 1 4 . HD13 H 7.997 10.299 -6.401 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6c 1
. 6 . 652 . 1 1 4 . HD21 H 5.583 10.050 -3.894 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6c 1
. 6 . 653 . 1 1 4 . HD22 H 6.685 11.034 -4.888 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6c 1
. 6 . 654 . 1 1 4 . HD23 H 7.326 10.078 -3.530 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6c 1
. 6 . 655 . 1 1 4 . HG H 5.849 8.726 -5.767 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6c 1
. 6 . 656 . 1 1 4 . N N 5.785 5.853 -3.595 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6c 1
. 6 . 657 . 1 1 4 . O O 7.573 8.256 -1.673 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6c 1
. 6 . 658 . 1 1 5 TYR C C 8.276 6.529 0.391 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6c 1
. 6 . 659 . 1 1 5 TYR CA C 6.754 6.489 0.298 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6c 1
. 6 . 660 . 1 1 5 TYR CB C 6.219 5.256 1.029 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6c 1
. 6 . 661 . 1 1 5 TYR CD1 C 4.034 6.408 1.556 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6c 1
. 6 . 662 . 1 1 5 TYR CD2 C 4.985 4.985 3.216 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6c 1
. 6 . 663 . 1 1 5 TYR CE1 C 2.972 6.684 2.394 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6c 1
. 6 . 664 . 1 1 5 TYR CE2 C 3.926 5.255 4.060 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6c 1
. 6 . 665 . 1 1 5 TYR CG C 5.058 5.555 1.951 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6c 1
. 6 . 666 . 1 1 5 TYR CZ C 2.922 6.105 3.645 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6c 1
. 6 . 667 . 1 1 5 TYR H H 5.676 5.802 -1.388 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6c 1
. 6 . 668 . 1 1 5 TYR HA H 6.352 7.376 0.767 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6c 1
. 6 . 669 . 1 1 5 TYR HB2 H 5.887 4.531 0.303 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6c 1
. 6 . 670 . 1 1 5 TYR HB3 H 7.013 4.827 1.623 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6c 1
. 6 . 671 . 1 1 5 TYR HD1 H 4.076 6.860 0.575 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6c 1
. 6 . 672 . 1 1 5 TYR HD2 H 5.773 4.320 3.538 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6c 1
. 6 . 673 . 1 1 5 TYR HE1 H 2.185 7.349 2.070 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6c 1
. 6 . 674 . 1 1 5 TYR HE2 H 3.886 4.802 5.040 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6c 1
. 6 . 675 . 1 1 5 TYR HH H 1.586 7.287 4.362 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6c 1
. 6 . 676 . 1 1 5 TYR N N 6.317 6.481 -1.093 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6c 1
. 6 . 677 . 1 1 5 TYR O O 8.991 6.197 -0.555 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6c 1
. 6 . 678 . 1 1 5 TYR OH O 1.865 6.377 4.484 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6c 1
. 6 . 679 . 1 1 6 PRO C C 7.208 8.653 2.436 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6c 1
. 6 . 680 . 1 1 6 PRO CA C 7.945 7.343 2.693 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6c 1
. 6 . 681 . 1 1 6 PRO CB C 8.947 7.510 3.838 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6c 1
. 6 . 682 . 1 1 6 PRO CD C 10.221 7.060 1.866 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6c 1
. 6 . 683 . 1 1 6 PRO CG C 10.242 7.814 3.166 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6c 1
. 6 . 684 . 1 1 6 PRO HA H 7.230 6.574 2.947 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6c 1
. 6 . 685 . 1 1 6 PRO HB2 H 8.633 8.321 4.480 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6c 1
. 6 . 686 . 1 1 6 PRO HB3 H 9.004 6.594 4.407 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6c 1
. 6 . 687 . 1 1 6 PRO HD2 H 10.736 7.617 1.098 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6c 1
. 6 . 688 . 1 1 6 PRO HD3 H 10.667 6.084 1.989 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6c 1
. 6 . 689 . 1 1 6 PRO HG2 H 10.319 8.875 2.983 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6c 1
. 6 . 690 . 1 1 6 PRO HG3 H 11.062 7.477 3.782 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6c 1
. 6 . 691 . 1 1 6 PRO N N 8.785 6.945 1.560 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6c 1
. 6 . 692 . 1 1 6 PRO O O 6.280 9.008 3.164 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6c 1
. 6 . 693 . 1 1 7 TRP C C 6.034 10.466 -0.119 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6c 1
. 6 . 694 . 1 1 7 TRP CA C 7.004 10.639 1.044 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6c 1
. 6 . 695 . 1 1 7 TRP CB C 8.074 11.671 0.684 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6c 1
. 6 . 696 . 1 1 7 TRP CD1 C 8.183 14.135 1.377 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6c 1
. 6 . 697 . 1 1 7 TRP CD2 C 8.250 12.693 3.089 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6c 1
. 6 . 698 . 1 1 7 TRP CE2 C 8.317 14.004 3.602 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6c 1
. 6 . 699 . 1 1 7 TRP CE3 C 8.274 11.619 3.982 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6c 1
. 6 . 700 . 1 1 7 TRP CG C 8.164 12.800 1.664 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6c 1
. 6 . 701 . 1 1 7 TRP CH2 C 8.430 13.194 5.818 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6c 1
. 6 . 702 . 1 1 7 TRP CZ2 C 8.408 14.265 4.967 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6c 1
. 6 . 703 . 1 1 7 TRP CZ3 C 8.365 11.880 5.336 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6c 1
. 6 . 704 . 1 1 7 TRP H H 8.370 9.032 0.854 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6c 1
. 6 . 705 . 1 1 7 TRP HA H 6.455 10.989 1.906 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6c 1
. 6 . 706 . 1 1 7 TRP HB2 H 9.037 11.184 0.647 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6c 1
. 6 . 707 . 1 1 7 TRP HB3 H 7.848 12.088 -0.287 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6c 1
. 6 . 708 . 1 1 7 TRP HD1 H 8.134 14.543 0.379 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6c 1
. 6 . 709 . 1 1 7 TRP HE1 H 8.305 15.843 2.594 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6c 1
. 6 . 710 . 1 1 7 TRP HE3 H 8.225 10.599 3.630 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6c 1
. 6 . 711 . 1 1 7 TRP HH2 H 8.500 13.351 6.883 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6c 1
. 6 . 712 . 1 1 7 TRP HZ2 H 8.458 15.272 5.354 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6c 1
. 6 . 713 . 1 1 7 TRP HZ3 H 8.386 11.062 6.041 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6c 1
. 6 . 714 . 1 1 7 TRP N N 7.626 9.367 1.397 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6c 1
. 6 . 715 . 1 1 7 TRP NE1 N 8.275 14.865 2.538 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6c 1
. 6 . 716 . 1 1 7 TRP O O 6.415 10.599 -1.283 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6c 1
. 6 . 717 . 1 1 8 CYS C C 3.128 11.311 -1.217 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6c 1
. 6 . 718 . 1 1 8 CYS CA C 3.754 9.978 -0.818 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6c 1
. 6 . 719 . 1 1 8 CYS CB C 2.671 9.025 -0.309 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6c 1
. 6 . 720 . 1 1 8 CYS H H 4.536 10.076 1.147 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6c 1
. 6 . 721 . 1 1 8 CYS HA H 4.226 9.542 -1.685 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6c 1
. 6 . 722 . 1 1 8 CYS HB2 H 2.989 8.601 0.632 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6c 1
. 6 . 723 . 1 1 8 CYS HB3 H 1.757 9.580 -0.156 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6c 1
. 6 . 724 . 1 1 8 CYS N N 4.779 10.169 0.201 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6c 1
. 6 . 725 . 1 1 8 CYS O O 3.706 12.373 -0.985 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6c 1
. 6 . 726 . 1 1 8 CYS SG S 2.301 7.646 -1.440 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6c 1
. 7 . 727 . 1 1 1 GLY C C 1.579 1.254 -1.901 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6c 1
. 7 . 728 . 1 1 1 GLY CA C 1.935 -0.069 -1.254 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6c 1
. 7 . 729 . 1 1 1 GLY H1 H 3.733 -1.071 -1.751 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6c 1
. 7 . 730 . 1 1 1 GLY HA2 H 1.028 -0.630 -1.081 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6c 1
. 7 . 731 . 1 1 1 GLY HA3 H 2.412 0.125 -0.304 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6c 1
. 7 . 732 . 1 1 1 GLY N N 2.830 -0.865 -2.073 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6c 1
. 7 . 733 . 1 1 1 GLY O O 0.866 1.291 -2.905 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6c 1
. 7 . 734 . 1 1 2 CYS C C 3.020 4.233 -2.583 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6c 1
. 7 . 735 . 1 1 2 CYS CA C 1.802 3.677 -1.852 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6c 1
. 7 . 736 . 1 1 2 CYS CB C 1.398 4.623 -0.719 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6c 1
. 7 . 737 . 1 1 2 CYS H H 2.635 2.252 -0.528 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6c 1
. 7 . 738 . 1 1 2 CYS HA H 0.983 3.598 -2.551 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6c 1
. 7 . 739 . 1 1 2 CYS HB2 H 0.448 4.304 -0.315 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6c 1
. 7 . 740 . 1 1 2 CYS HB3 H 2.147 4.580 0.059 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6c 1
. 7 . 741 . 1 1 2 CYS N N 2.073 2.345 -1.326 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6c 1
. 7 . 742 . 1 1 2 CYS O O 3.894 4.852 -1.975 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6c 1
. 7 . 743 . 1 1 2 CYS SG S 1.225 6.363 -1.228 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6c 1
. 7 . 744 . 1 1 3 VAL C C 4.428 5.973 -4.482 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6c 1
. 7 . 745 . 1 1 3 VAL CA C 4.183 4.485 -4.707 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6c 1
. 7 . 746 . 1 1 3 VAL CB C 3.926 4.238 -6.205 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6c 1
. 7 . 747 . 1 1 3 VAL CG1 C 5.143 4.634 -7.028 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6c 1
. 7 . 748 . 1 1 3 VAL CG2 C 3.557 2.783 -6.450 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6c 1
. 7 . 749 . 1 1 3 VAL H H 2.346 3.507 -4.319 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6c 1
. 7 . 750 . 1 1 3 VAL HA H 5.068 3.936 -4.420 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6c 1
. 7 . 751 . 1 1 3 VAL HB H 3.094 4.855 -6.514 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6c 1
. 7 . 752 . 1 1 3 VAL HG11 H 5.126 5.700 -7.204 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6c 1
. 7 . 753 . 1 1 3 VAL HG12 H 6.042 4.370 -6.491 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6c 1
. 7 . 754 . 1 1 3 VAL HG13 H 5.122 4.114 -7.974 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6c 1
. 7 . 755 . 1 1 3 VAL HG21 H 4.080 2.155 -5.744 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6c 1
. 7 . 756 . 1 1 3 VAL HG22 H 2.492 2.656 -6.325 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6c 1
. 7 . 757 . 1 1 3 VAL HG23 H 3.837 2.504 -7.455 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6c 1
. 7 . 758 . 1 1 3 VAL N N 3.072 4.007 -3.892 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6c 1
. 7 . 759 . 1 1 3 VAL O O 3.676 6.793 -5.006 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6c 1
. 7 . 760 . 1 1 4 . C C 6.455 7.764 -2.059 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6c 1
. 7 . 761 . 1 1 4 . CA C 5.794 7.672 -3.436 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6c 1
. 7 . 762 . 1 1 4 . CB C 6.641 8.262 -4.565 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6c 1
. 7 . 763 . 1 1 4 . CD1 C 9.100 8.440 -4.032 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6c 1
. 7 . 764 . 1 1 4 . CD2 C 8.342 7.472 -6.251 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6c 1
. 7 . 765 . 1 1 4 . CG C 8.023 7.636 -4.764 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6c 1
. 7 . 766 . 1 1 4 . H H 6.071 5.612 -3.296 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6c 1
. 7 . 767 . 1 1 4 . HA H 4.859 8.231 -3.408 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6c 1
. 7 . 768 . 1 1 4 . HB2 H 6.771 9.328 -4.377 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6c 1
. 7 . 769 . 1 1 4 . HB3 H 6.084 8.168 -5.497 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6c 1
. 7 . 770 . 1 1 4 . HD11 H 9.515 7.839 -3.223 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6c 1
. 7 . 771 . 1 1 4 . HD12 H 8.658 9.348 -3.621 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6c 1
. 7 . 772 . 1 1 4 . HD13 H 9.893 8.706 -4.731 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6c 1
. 7 . 773 . 1 1 4 . HD21 H 7.424 7.258 -6.798 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6c 1
. 7 . 774 . 1 1 4 . HD22 H 9.044 6.649 -6.384 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6c 1
. 7 . 775 . 1 1 4 . HD23 H 8.785 8.392 -6.631 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6c 1
. 7 . 776 . 1 1 4 . HG H 8.013 6.638 -4.325 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6c 1
. 7 . 777 . 1 1 4 . N N 5.464 6.285 -3.718 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6c 1
. 7 . 778 . 1 1 4 . O O 7.211 8.688 -1.758 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6c 1
. 7 . 779 . 1 1 5 TYR C C 8.214 6.885 0.108 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6c 1
. 7 . 780 . 1 1 5 TYR CA C 6.697 6.724 0.128 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6c 1
. 7 . 781 . 1 1 5 TYR CB C 6.322 5.403 0.800 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6c 1
. 7 . 782 . 1 1 5 TYR CD1 C 4.105 6.327 1.579 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6c 1
. 7 . 783 . 1 1 5 TYR CD2 C 5.297 4.876 3.047 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6c 1
. 7 . 784 . 1 1 5 TYR CE1 C 3.096 6.454 2.514 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6c 1
. 7 . 785 . 1 1 5 TYR CE2 C 4.292 4.996 3.988 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6c 1
. 7 . 786 . 1 1 5 TYR CG C 5.221 5.537 1.828 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6c 1
. 7 . 787 . 1 1 5 TYR CZ C 3.194 5.786 3.717 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6c 1
. 7 . 788 . 1 1 5 TYR H H 5.542 6.070 -1.520 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6c 1
. 7 . 789 . 1 1 5 TYR HA H 6.268 7.539 0.692 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6c 1
. 7 . 790 . 1 1 5 TYR HB2 H 5.989 4.705 0.048 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6c 1
. 7 . 791 . 1 1 5 TYR HB3 H 7.193 5.000 1.298 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6c 1
. 7 . 792 . 1 1 5 TYR HD1 H 4.031 6.849 0.635 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6c 1
. 7 . 793 . 1 1 5 TYR HD2 H 6.158 4.259 3.256 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6c 1
. 7 . 794 . 1 1 5 TYR HE1 H 2.236 7.072 2.302 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6c 1
. 7 . 795 . 1 1 5 TYR HE2 H 4.369 4.473 4.930 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6c 1
. 7 . 796 . 1 1 5 TYR HH H 2.304 6.732 5.134 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6c 1
. 7 . 797 . 1 1 5 TYR N N 6.150 6.778 -1.223 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6c 1
. 7 . 798 . 1 1 5 TYR O O 8.873 6.682 -0.913 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6c 1
. 7 . 799 . 1 1 5 TYR OH O 2.192 5.909 4.652 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6c 1
. 7 . 800 . 1 1 6 PRO C C 7.156 8.763 2.385 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6c 1
. 7 . 801 . 1 1 6 PRO CA C 8.011 7.504 2.484 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6c 1
. 7 . 802 . 1 1 6 PRO CB C 9.088 7.673 3.558 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6c 1
. 7 . 803 . 1 1 6 PRO CD C 10.227 7.471 1.466 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6c 1
. 7 . 804 . 1 1 6 PRO CG C 10.295 8.131 2.816 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6c 1
. 7 . 805 . 1 1 6 PRO HA H 7.382 6.662 2.731 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6c 1
. 7 . 806 . 1 1 6 PRO HB2 H 8.766 8.408 4.282 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6c 1
. 7 . 807 . 1 1 6 PRO HB3 H 9.262 6.728 4.050 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6c 1
. 7 . 808 . 1 1 6 PRO HD2 H 10.632 8.123 0.706 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6c 1
. 7 . 809 . 1 1 6 PRO HD3 H 10.756 6.530 1.480 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6c 1
. 7 . 810 . 1 1 6 PRO HG2 H 10.275 9.205 2.709 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6c 1
. 7 . 811 . 1 1 6 PRO HG3 H 11.187 7.822 3.339 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6c 1
. 7 . 812 . 1 1 6 PRO N N 8.784 7.259 1.263 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6c 1
. 7 . 813 . 1 1 6 PRO O O 6.266 8.987 3.206 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6c 1
. 7 . 814 . 1 1 7 TRP C C 5.638 10.646 0.073 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6c 1
. 7 . 815 . 1 1 7 TRP CA C 6.684 10.817 1.169 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6c 1
. 7 . 816 . 1 1 7 TRP CB C 7.638 11.958 0.808 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6c 1
. 7 . 817 . 1 1 7 TRP CD1 C 7.611 14.368 1.678 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6c 1
. 7 . 818 . 1 1 7 TRP CD2 C 7.930 12.820 3.265 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6c 1
. 7 . 819 . 1 1 7 TRP CE2 C 7.937 14.093 3.870 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6c 1
. 7 . 820 . 1 1 7 TRP CE3 C 8.111 11.692 4.068 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6c 1
. 7 . 821 . 1 1 7 TRP CG C 7.720 13.020 1.863 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6c 1
. 7 . 822 . 1 1 7 TRP CH2 C 8.294 13.141 6.002 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6c 1
. 7 . 823 . 1 1 7 TRP CZ2 C 8.119 14.264 5.239 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6c 1
. 7 . 824 . 1 1 7 TRP CZ3 C 8.292 11.863 5.427 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6c 1
. 7 . 825 . 1 1 7 TRP H H 8.151 9.348 0.753 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6c 1
. 7 . 826 . 1 1 7 TRP HA H 6.183 11.059 2.095 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6c 1
. 7 . 827 . 1 1 7 TRP HB2 H 8.629 11.557 0.661 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6c 1
. 7 . 828 . 1 1 7 TRP HB3 H 7.301 12.422 -0.108 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6c 1
. 7 . 829 . 1 1 7 TRP HD1 H 7.449 14.840 0.721 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6c 1
. 7 . 830 . 1 1 7 TRP HE1 H 7.699 15.991 3.009 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6c 1
. 7 . 831 . 1 1 7 TRP HE3 H 8.113 10.698 3.644 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6c 1
. 7 . 832 . 1 1 7 TRP HH2 H 8.439 13.228 7.068 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6c 1
. 7 . 833 . 1 1 7 TRP HZ2 H 8.123 15.242 5.698 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6c 1
. 7 . 834 . 1 1 7 TRP HZ3 H 8.434 11.003 6.064 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6c 1
. 7 . 835 . 1 1 7 TRP N N 7.430 9.581 1.375 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6c 1
. 7 . 836 . 1 1 7 TRP NE1 N 7.742 15.020 2.881 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6c 1
. 7 . 837 . 1 1 7 TRP O O 5.911 10.890 -1.103 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6c 1
. 7 . 838 . 1 1 8 CYS C C 2.592 11.323 -0.728 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6c 1
. 7 . 839 . 1 1 8 CYS CA C 3.352 10.023 -0.484 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6c 1
. 7 . 840 . 1 1 8 CYS CB C 2.393 8.947 0.030 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6c 1
. 7 . 841 . 1 1 8 CYS H H 4.283 10.049 1.417 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6c 1
. 7 . 842 . 1 1 8 CYS HA H 3.783 9.692 -1.417 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6c 1
. 7 . 843 . 1 1 8 CYS HB2 H 2.821 8.485 0.908 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6c 1
. 7 . 844 . 1 1 8 CYS HB3 H 1.454 9.410 0.295 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6c 1
. 7 . 845 . 1 1 8 CYS N N 4.440 10.227 0.465 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6c 1
. 7 . 846 . 1 1 8 CYS O O 2.767 12.301 -0.001 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6c 1
. 7 . 847 . 1 1 8 CYS SG S 2.043 7.626 -1.174 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6c 1
. 8 . 848 . 1 1 1 GLY C C 1.866 1.200 -2.110 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6c 1
. 8 . 849 . 1 1 1 GLY CA C 2.220 -0.137 -1.490 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6c 1
. 8 . 850 . 1 1 1 GLY H1 H 0.420 -1.191 -1.123 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6c 1
. 8 . 851 . 1 1 1 GLY HA2 H 3.089 -0.013 -0.863 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6c 1
. 8 . 852 . 1 1 1 GLY HA3 H 2.455 -0.836 -2.280 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6c 1
. 8 . 853 . 1 1 1 GLY N N 1.138 -0.682 -0.691 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6c 1
. 8 . 854 . 1 1 1 GLY O O 1.247 1.257 -3.173 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6c 1
. 8 . 855 . 1 1 2 CYS C C 3.213 4.230 -2.598 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6c 1
. 8 . 856 . 1 1 2 CYS CA C 1.980 3.625 -1.934 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6c 1
. 8 . 857 . 1 1 2 CYS CB C 1.514 4.522 -0.786 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6c 1
. 8 . 858 . 1 1 2 CYS H H 2.751 2.172 -0.602 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6c 1
. 8 . 859 . 1 1 2 CYS HA H 1.190 3.554 -2.667 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6c 1
. 8 . 860 . 1 1 2 CYS HB2 H 0.556 4.170 -0.430 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6c 1
. 8 . 861 . 1 1 2 CYS HB3 H 2.233 4.468 0.018 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6c 1
. 8 . 862 . 1 1 2 CYS N N 2.260 2.281 -1.444 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6c 1
. 8 . 863 . 1 1 2 CYS O O 4.035 4.869 -1.941 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6c 1
. 8 . 864 . 1 1 2 CYS SG S 1.323 6.276 -1.242 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6c 1
. 8 . 865 . 1 1 3 VAL C C 4.652 6.042 -4.405 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6c 1
. 8 . 866 . 1 1 3 VAL CA C 4.467 4.550 -4.660 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6c 1
. 8 . 867 . 1 1 3 VAL CB C 4.291 4.317 -6.172 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6c 1
. 8 . 868 . 1 1 3 VAL CG1 C 4.560 2.862 -6.523 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6c 1
. 8 . 869 . 1 1 3 VAL CG2 C 2.896 4.731 -6.616 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6c 1
. 8 . 870 . 1 1 3 VAL H H 2.647 3.508 -4.375 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6c 1
. 8 . 871 . 1 1 3 VAL HA H 5.355 4.027 -4.338 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6c 1
. 8 . 872 . 1 1 3 VAL HB H 5.009 4.930 -6.697 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6c 1
. 8 . 873 . 1 1 3 VAL HG11 H 4.519 2.737 -7.596 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6c 1
. 8 . 874 . 1 1 3 VAL HG12 H 5.539 2.579 -6.164 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6c 1
. 8 . 875 . 1 1 3 VAL HG13 H 3.812 2.235 -6.060 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6c 1
. 8 . 876 . 1 1 3 VAL HG21 H 2.967 5.355 -7.494 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6c 1
. 8 . 877 . 1 1 3 VAL HG22 H 2.315 3.850 -6.846 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6c 1
. 8 . 878 . 1 1 3 VAL HG23 H 2.414 5.283 -5.821 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6c 1
. 8 . 879 . 1 1 3 VAL N N 3.335 4.025 -3.906 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6c 1
. 8 . 880 . 1 1 3 VAL O O 3.841 6.838 -4.875 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6c 1
. 8 . 881 . 1 1 4 . C C 6.624 7.872 -1.985 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6c 1
. 8 . 882 . 1 1 4 . CA C 5.981 7.777 -3.370 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6c 1
. 8 . 883 . 1 1 4 . CB C 6.818 8.414 -4.481 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6c 1
. 8 . 884 . 1 1 4 . CD1 C 9.225 8.563 -5.216 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6c 1
. 8 . 885 . 1 1 4 . CD2 C 7.725 6.730 -6.124 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6c 1
. 8 . 886 . 1 1 4 . CG C 8.051 7.626 -4.927 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6c 1
. 8 . 887 . 1 1 4 . H H 6.359 5.730 -3.298 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6c 1
. 8 . 888 . 1 1 4 . HA H 5.026 8.302 -3.344 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6c 1
. 8 . 889 . 1 1 4 . HB2 H 7.142 9.399 -4.145 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6c 1
. 8 . 890 . 1 1 4 . HB3 H 6.176 8.569 -5.348 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6c 1
. 8 . 891 . 1 1 4 . HD11 H 10.163 8.034 -5.045 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6c 1
. 8 . 892 . 1 1 4 . HD12 H 9.171 9.429 -4.556 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6c 1
. 8 . 893 . 1 1 4 . HD13 H 9.179 8.894 -6.254 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6c 1
. 8 . 894 . 1 1 4 . HD21 H 7.605 5.701 -5.784 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6c 1
. 8 . 895 . 1 1 4 . HD22 H 8.538 6.781 -6.848 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6c 1
. 8 . 896 . 1 1 4 . HD23 H 6.801 7.069 -6.591 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6c 1
. 8 . 897 . 1 1 4 . HG H 8.354 6.973 -4.109 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6c 1
. 8 . 898 . 1 1 4 . N N 5.704 6.384 -3.676 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6c 1
. 8 . 899 . 1 1 4 . O O 7.335 8.823 -1.659 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6c 1
. 8 . 900 . 1 1 5 TYR C C 8.399 7.031 0.183 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6c 1
. 8 . 901 . 1 1 5 TYR CA C 6.891 6.802 0.184 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6c 1
. 8 . 902 . 1 1 5 TYR CB C 6.569 5.452 0.828 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6c 1
. 8 . 903 . 1 1 5 TYR CD1 C 4.303 6.258 1.598 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6c 1
. 8 . 904 . 1 1 5 TYR CD2 C 5.548 4.840 3.055 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6c 1
. 8 . 905 . 1 1 5 TYR CE1 C 3.281 6.321 2.525 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6c 1
. 8 . 906 . 1 1 5 TYR CE2 C 4.530 4.896 3.987 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6c 1
. 8 . 907 . 1 1 5 TYR CG C 5.453 5.517 1.846 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6c 1
. 8 . 908 . 1 1 5 TYR CZ C 3.399 5.638 3.717 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6c 1
. 8 . 909 . 1 1 5 TYR H H 5.781 6.129 -1.487 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6c 1
. 8 . 910 . 1 1 5 TYR HA H 6.420 7.586 0.760 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6c 1
. 8 . 911 . 1 1 5 TYR HB2 H 6.276 4.755 0.059 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6c 1
. 8 . 912 . 1 1 5 TYR HB3 H 7.452 5.080 1.327 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6c 1
. 8 . 913 . 1 1 5 TYR HD1 H 4.214 6.791 0.663 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6c 1
. 8 . 914 . 1 1 5 TYR HD2 H 6.436 4.260 3.263 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6c 1
. 8 . 915 . 1 1 5 TYR HE1 H 2.395 6.901 2.314 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6c 1
. 8 . 916 . 1 1 5 TYR HE2 H 4.622 4.362 4.921 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6c 1
. 8 . 917 . 1 1 5 TYR HH H 1.774 6.401 4.406 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6c 1
. 8 . 918 . 1 1 5 TYR N N 6.355 6.858 -1.170 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6c 1
. 8 . 919 . 1 1 5 TYR O O 9.076 6.877 -0.834 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6c 1
. 8 . 920 . 1 1 5 TYR OH O 2.383 5.697 4.644 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6c 1
. 8 . 921 . 1 1 6 PRO C C 7.235 8.815 2.485 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6c 1
. 8 . 922 . 1 1 6 PRO CA C 8.145 7.594 2.569 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6c 1
. 8 . 923 . 1 1 6 PRO CB C 9.203 7.790 3.657 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6c 1
. 8 . 924 . 1 1 6 PRO CD C 10.370 7.680 1.574 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6c 1
. 8 . 925 . 1 1 6 PRO CG C 10.396 8.317 2.936 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6c 1
. 8 . 926 . 1 1 6 PRO HA H 7.552 6.720 2.793 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6c 1
. 8 . 927 . 1 1 6 PRO HB2 H 8.841 8.495 4.392 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6c 1
. 8 . 928 . 1 1 6 PRO HB3 H 9.415 6.844 4.132 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6c 1
. 8 . 929 . 1 1 6 PRO HD2 H 10.753 8.364 0.831 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6c 1
. 8 . 930 . 1 1 6 PRO HD3 H 10.941 6.763 1.575 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6c 1
. 8 . 931 . 1 1 6 PRO HG2 H 10.328 9.390 2.850 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6c 1
. 8 . 932 . 1 1 6 PRO HG3 H 11.296 8.037 3.463 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6c 1
. 8 . 933 . 1 1 6 PRO N N 8.941 7.408 1.351 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6c 1
. 8 . 934 . 1 1 6 PRO O O 6.329 8.982 3.301 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6c 1
. 8 . 935 . 1 1 7 TRP C C 5.659 10.675 0.191 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6c 1
. 8 . 936 . 1 1 7 TRP CA C 6.684 10.870 1.304 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6c 1
. 8 . 937 . 1 1 7 TRP CB C 7.588 12.059 0.978 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6c 1
. 8 . 938 . 1 1 7 TRP CD1 C 7.440 14.448 1.895 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6c 1
. 8 . 939 . 1 1 7 TRP CD2 C 7.810 12.884 3.455 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6c 1
. 8 . 940 . 1 1 7 TRP CE2 C 7.751 14.143 4.085 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6c 1
. 8 . 941 . 1 1 7 TRP CE3 C 8.033 11.749 4.238 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6c 1
. 8 . 942 . 1 1 7 TRP CG C 7.608 13.102 2.054 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6c 1
. 8 . 943 . 1 1 7 TRP CH2 C 8.125 13.166 6.203 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6c 1
. 8 . 944 . 1 1 7 TRP CZ2 C 7.908 14.295 5.460 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6c 1
. 8 . 945 . 1 1 7 TRP CZ3 C 8.189 11.902 5.603 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6c 1
. 8 . 946 . 1 1 7 TRP H H 8.219 9.476 0.875 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6c 1
. 8 . 947 . 1 1 7 TRP HA H 6.161 11.069 2.228 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6c 1
. 8 . 948 . 1 1 7 TRP HB2 H 8.599 11.707 0.837 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6c 1
. 8 . 949 . 1 1 7 TRP HB3 H 7.243 12.526 0.067 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6c 1
. 8 . 950 . 1 1 7 TRP HD1 H 7.268 14.931 0.945 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6c 1
. 8 . 951 . 1 1 7 TRP HE1 H 7.436 16.045 3.259 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6c 1
. 8 . 952 . 1 1 7 TRP HE3 H 8.086 10.766 3.795 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6c 1
. 8 . 953 . 1 1 7 TRP HH2 H 8.253 13.238 7.272 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6c 1
. 8 . 954 . 1 1 7 TRP HZ2 H 7.860 15.263 5.937 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6c 1
. 8 . 955 . 1 1 7 TRP HZ3 H 8.363 11.036 6.225 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6c 1
. 8 . 956 . 1 1 7 TRP N N 7.482 9.664 1.494 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6c 1
. 8 . 957 . 1 1 7 TRP NE1 N 7.525 15.080 3.112 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6c 1
. 8 . 958 . 1 1 7 TRP O O 5.935 10.955 -0.976 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6c 1
. 8 . 959 . 1 1 8 CYS C C 2.594 11.229 -0.633 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6c 1
. 8 . 960 . 1 1 8 CYS CA C 3.411 9.960 -0.408 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6c 1
. 8 . 961 . 1 1 8 CYS CB C 2.498 8.830 0.071 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6c 1
. 8 . 962 . 1 1 8 CYS H H 4.317 9.988 1.505 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6c 1
. 8 . 963 . 1 1 8 CYS HA H 3.868 9.670 -1.342 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6c 1
. 8 . 964 . 1 1 8 CYS HB2 H 2.935 8.369 0.944 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6c 1
. 8 . 965 . 1 1 8 CYS HB3 H 1.534 9.242 0.332 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6c 1
. 8 . 966 . 1 1 8 CYS N N 4.477 10.193 0.559 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6c 1
. 8 . 967 . 1 1 8 CYS O O 2.998 12.113 -1.388 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6c 1
. 8 . 968 . 1 1 8 CYS SG S 2.224 7.520 -1.166 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6c 1
. 9 . 969 . 1 1 1 GLY C C 1.193 1.559 -1.245 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6c 1
. 9 . 970 . 1 1 1 GLY CA C 1.483 0.185 -0.676 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6c 1
. 9 . 971 . 1 1 1 GLY H1 H 1.485 0.874 1.326 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6c 1
. 9 . 972 . 1 1 1 GLY HA2 H 2.263 -0.279 -1.261 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6c 1
. 9 . 973 . 1 1 1 GLY HA3 H 0.589 -0.417 -0.746 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6c 1
. 9 . 974 . 1 1 1 GLY N N 1.905 0.236 0.712 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6c 1
. 9 . 975 . 1 1 1 GLY O O 0.035 1.961 -1.358 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6c 1
. 9 . 976 . 1 1 2 CYS C C 3.429 4.126 -2.722 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6c 1
. 9 . 977 . 1 1 2 CYS CA C 2.102 3.623 -2.161 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6c 1
. 9 . 978 . 1 1 2 CYS CB C 1.588 4.590 -1.093 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6c 1
. 9 . 979 . 1 1 2 CYS H H 3.147 1.909 -1.489 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6c 1
. 9 . 980 . 1 1 2 CYS HA H 1.383 3.571 -2.964 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6c 1
. 9 . 981 . 1 1 2 CYS HB2 H 0.581 4.311 -0.821 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6c 1
. 9 . 982 . 1 1 2 CYS HB3 H 2.223 4.524 -0.222 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6c 1
. 9 . 983 . 1 1 2 CYS N N 2.248 2.284 -1.603 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6c 1
. 9 . 984 . 1 1 2 CYS O O 4.224 4.739 -2.010 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6c 1
. 9 . 985 . 1 1 2 CYS SG S 1.554 6.333 -1.623 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6c 1
. 9 . 986 . 1 1 3 VAL C C 5.147 5.774 -4.440 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6c 1
. 9 . 987 . 1 1 3 VAL CA C 4.892 4.287 -4.661 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6c 1
. 9 . 988 . 1 1 3 VAL CB C 4.846 4.006 -6.175 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6c 1
. 9 . 989 . 1 1 3 VAL CG1 C 5.054 2.524 -6.449 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6c 1
. 9 . 990 . 1 1 3 VAL CG2 C 3.529 4.486 -6.766 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6c 1
. 9 . 991 . 1 1 3 VAL H H 2.991 3.368 -4.520 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6c 1
. 9 . 992 . 1 1 3 VAL HA H 5.710 3.724 -4.236 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6c 1
. 9 . 993 . 1 1 3 VAL HB H 5.648 4.553 -6.647 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6c 1
. 9 . 994 . 1 1 3 VAL HG11 H 4.893 2.327 -7.499 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6c 1
. 9 . 995 . 1 1 3 VAL HG12 H 6.062 2.246 -6.179 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6c 1
. 9 . 996 . 1 1 3 VAL HG13 H 4.352 1.948 -5.864 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6c 1
. 9 . 997 . 1 1 3 VAL HG21 H 2.922 3.634 -7.034 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6c 1
. 9 . 998 . 1 1 3 VAL HG22 H 3.005 5.086 -6.036 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6c 1
. 9 . 999 . 1 1 3 VAL HG23 H 3.724 5.080 -7.647 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6c 1
. 9 . 1000 . 1 1 3 VAL N N 3.662 3.861 -4.004 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6c 1
. 9 . 1001 . 1 1 3 VAL O O 4.436 6.599 -5.012 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6c 1
. 9 . 1002 . 1 1 4 . C C 6.992 7.576 -1.901 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6c 1
. 9 . 1003 . 1 1 4 . CA C 6.479 7.466 -3.338 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6c 1
. 9 . 1004 . 1 1 4 . CB C 7.457 8.007 -4.383 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6c 1
. 9 . 1005 . 1 1 4 . CD1 C 6.841 7.907 -6.827 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6c 1
. 9 . 1006 . 1 1 4 . CD2 C 7.522 10.111 -5.771 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6c 1
. 9 . 1007 . 1 1 4 . CG C 6.832 8.762 -5.558 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6c 1
. 9 . 1008 . 1 1 4 . H H 6.717 5.404 -3.162 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6c 1
. 9 . 1009 . 1 1 4 . HA H 5.561 8.048 -3.424 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6c 1
. 9 . 1010 . 1 1 4 . HB2 H 8.033 7.171 -4.780 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6c 1
. 9 . 1011 . 1 1 4 . HB3 H 8.161 8.671 -3.883 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6c 1
. 9 . 1012 . 1 1 4 . HD11 H 6.064 8.257 -7.506 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6c 1
. 9 . 1013 . 1 1 4 . HD12 H 6.653 6.866 -6.565 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6c 1
. 9 . 1014 . 1 1 4 . HD13 H 7.813 7.989 -7.314 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6c 1
. 9 . 1015 . 1 1 4 . HD21 H 6.881 10.756 -6.373 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6c 1
. 9 . 1016 . 1 1 4 . HD22 H 8.470 9.957 -6.288 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6c 1
. 9 . 1017 . 1 1 4 . HD23 H 7.707 10.581 -4.806 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6c 1
. 9 . 1018 . 1 1 4 . HG H 5.790 8.968 -5.316 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6c 1
. 9 . 1019 . 1 1 4 . N N 6.144 6.081 -3.624 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6c 1
. 9 . 1020 . 1 1 4 . O O 7.728 8.494 -1.540 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6c 1
. 9 . 1021 . 1 1 5 TYR C C 8.496 6.716 0.456 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6c 1
. 9 . 1022 . 1 1 5 TYR CA C 6.983 6.578 0.318 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6c 1
. 9 . 1023 . 1 1 5 TYR CB C 6.517 5.277 0.972 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6c 1
. 9 . 1024 . 1 1 5 TYR CD1 C 4.243 6.246 1.490 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6c 1
. 9 . 1025 . 1 1 5 TYR CD2 C 5.251 4.815 3.108 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6c 1
. 9 . 1026 . 1 1 5 TYR CE1 C 3.143 6.407 2.311 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6c 1
. 9 . 1027 . 1 1 5 TYR CE2 C 4.155 4.969 3.934 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6c 1
. 9 . 1028 . 1 1 5 TYR CG C 5.315 5.449 1.873 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6c 1
. 9 . 1029 . 1 1 5 TYR CZ C 3.104 5.766 3.531 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6c 1
. 9 . 1030 . 1 1 5 TYR H H 5.997 5.908 -1.430 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6c 1
. 9 . 1031 . 1 1 5 TYR HA H 6.510 7.411 0.819 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6c 1
. 9 . 1032 . 1 1 5 TYR HB2 H 6.254 4.569 0.201 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6c 1
. 9 . 1033 . 1 1 5 TYR HB3 H 7.322 4.872 1.567 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6c 1
. 9 . 1034 . 1 1 5 TYR HD1 H 4.277 6.747 0.534 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6c 1
. 9 . 1035 . 1 1 5 TYR HD2 H 6.077 4.192 3.421 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6c 1
. 9 . 1036 . 1 1 5 TYR HE1 H 2.320 7.030 1.996 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6c 1
. 9 . 1037 . 1 1 5 TYR HE2 H 4.124 4.467 4.890 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6c 1
. 9 . 1038 . 1 1 5 TYR HH H 1.800 5.083 4.769 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6c 1
. 9 . 1039 . 1 1 5 TYR N N 6.583 6.613 -1.083 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6c 1
. 9 . 1040 . 1 1 5 TYR O O 9.255 6.482 -0.484 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6c 1
. 9 . 1041 . 1 1 5 TYR OH O 2.010 5.922 4.352 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6c 1
. 9 . 1042 . 1 1 6 PRO C C 7.234 8.656 2.573 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6c 1
. 9 . 1043 . 1 1 6 PRO CA C 8.053 7.387 2.785 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6c 1
. 9 . 1044 . 1 1 6 PRO CB C 9.013 7.561 3.965 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6c 1
. 9 . 1045 . 1 1 6 PRO CD C 10.363 7.300 2.010 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6c 1
. 9 . 1046 . 1 1 6 PRO CG C 10.299 7.987 3.346 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6c 1
. 9 . 1047 . 1 1 6 PRO HA H 7.387 6.559 2.980 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6c 1
. 9 . 1048 . 1 1 6 PRO HB2 H 8.628 8.316 4.637 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6c 1
. 9 . 1049 . 1 1 6 PRO HB3 H 9.118 6.624 4.490 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6c 1
. 9 . 1050 . 1 1 6 PRO HD2 H 10.857 7.930 1.285 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6c 1
. 9 . 1051 . 1 1 6 PRO HD3 H 10.872 6.351 2.097 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6c 1
. 9 . 1052 . 1 1 6 PRO HG2 H 10.309 9.058 3.218 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6c 1
. 9 . 1053 . 1 1 6 PRO HG3 H 11.126 7.674 3.967 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6c 1
. 9 . 1054 . 1 1 6 PRO N N 8.947 7.105 1.658 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6c 1
. 9 . 1055 . 1 1 6 PRO O O 6.267 8.909 3.291 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6c 1
. 9 . 1056 . 1 1 7 TRP C C 6.004 10.515 0.077 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6c 1
. 9 . 1057 . 1 1 7 TRP CA C 6.929 10.692 1.276 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6c 1
. 9 . 1058 . 1 1 7 TRP CB C 7.934 11.811 1.000 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6c 1
. 9 . 1059 . 1 1 7 TRP CD1 C 7.853 14.239 1.817 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6c 1
. 9 . 1060 . 1 1 7 TRP CD2 C 7.974 12.718 3.457 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6c 1
. 9 . 1061 . 1 1 7 TRP CE2 C 7.936 14.002 4.036 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6c 1
. 9 . 1062 . 1 1 7 TRP CE3 C 8.049 11.603 4.296 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6c 1
. 9 . 1063 . 1 1 7 TRP CG C 7.919 12.892 2.037 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6c 1
. 9 . 1064 . 1 1 7 TRP CH2 C 8.046 13.089 6.212 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6c 1
. 9 . 1065 . 1 1 7 TRP CZ2 C 7.972 14.198 5.414 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6c 1
. 9 . 1066 . 1 1 7 TRP CZ3 C 8.085 11.800 5.664 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6c 1
. 9 . 1067 . 1 1 7 TRP H H 8.406 9.193 1.045 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6c 1
. 9 . 1068 . 1 1 7 TRP HA H 6.335 10.959 2.138 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6c 1
. 9 . 1069 . 1 1 7 TRP HB2 H 8.929 11.393 0.968 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6c 1
. 9 . 1070 . 1 1 7 TRP HB3 H 7.707 12.261 0.044 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6c 1
. 9 . 1071 . 1 1 7 TRP HD1 H 7.803 14.693 0.839 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6c 1
. 9 . 1072 . 1 1 7 TRP HE1 H 7.823 15.886 3.120 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6c 1
. 9 . 1073 . 1 1 7 TRP HE3 H 8.081 10.602 3.893 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6c 1
. 9 . 1074 . 1 1 7 TRP HH2 H 8.076 13.195 7.285 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6c 1
. 9 . 1075 . 1 1 7 TRP HZ2 H 7.942 15.185 5.852 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6c 1
. 9 . 1076 . 1 1 7 TRP HZ3 H 8.144 10.950 6.328 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6c 1
. 9 . 1077 . 1 1 7 TRP N N 7.628 9.449 1.583 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6c 1
. 9 . 1078 . 1 1 7 TRP NE1 N 7.863 14.912 3.015 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6c 1
. 9 . 1079 . 1 1 7 TRP O O 6.406 10.731 -1.067 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6c 1
. 9 . 1080 . 1 1 8 CYS C C 3.071 11.220 -1.057 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6c 1
. 9 . 1081 . 1 1 8 CYS CA C 3.781 9.915 -0.713 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6c 1
. 9 . 1082 . 1 1 8 CYS CB C 2.757 8.861 -0.287 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6c 1
. 9 . 1083 . 1 1 8 CYS H H 4.502 9.965 1.277 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6c 1
. 9 . 1084 . 1 1 8 CYS HA H 4.305 9.562 -1.588 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6c 1
. 9 . 1085 . 1 1 8 CYS HB2 H 3.081 8.409 0.639 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6c 1
. 9 . 1086 . 1 1 8 CYS HB3 H 1.802 9.340 -0.133 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6c 1
. 9 . 1087 . 1 1 8 CYS N N 4.764 10.121 0.344 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6c 1
. 9 . 1088 . 1 1 8 CYS O O 3.290 11.795 -2.124 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6c 1
. 9 . 1089 . 1 1 8 CYS SG S 2.519 7.523 -1.501 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6c 1
. 10 . 1090 . 1 1 1 GLY C C 1.404 1.249 -1.800 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_2m6c 1
. 10 . 1091 . 1 1 1 GLY CA C 1.788 -0.092 -1.205 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_2m6c 1
. 10 . 1092 . 1 1 1 GLY H1 H 3.423 -1.422 -1.406 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_2m6c 1
. 10 . 1093 . 1 1 1 GLY HA2 H 1.080 -0.837 -1.536 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_2m6c 1
. 10 . 1094 . 1 1 1 GLY HA3 H 1.745 -0.021 -0.128 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_2m6c 1
. 10 . 1095 . 1 1 1 GLY N N 3.123 -0.508 -1.594 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_2m6c 1
. 10 . 1096 . 1 1 1 GLY O O 0.415 1.353 -2.527 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_2m6c 1
. 10 . 1097 . 1 1 2 CYS C C 3.162 4.205 -2.658 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . rr_2m6c 1
. 10 . 1098 . 1 1 2 CYS CA C 1.920 3.619 -1.994 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . rr_2m6c 1
. 10 . 1099 . 1 1 2 CYS CB C 1.456 4.533 -0.858 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . rr_2m6c 1
. 10 . 1100 . 1 1 2 CYS H H 2.958 2.132 -0.904 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . rr_2m6c 1
. 10 . 1101 . 1 1 2 CYS HA H 1.133 3.547 -2.731 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . rr_2m6c 1
. 10 . 1102 . 1 1 2 CYS HB2 H 0.493 4.194 -0.504 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . rr_2m6c 1
. 10 . 1103 . 1 1 2 CYS HB3 H 2.170 4.481 -0.050 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . rr_2m6c 1
. 10 . 1104 . 1 1 2 CYS N N 2.184 2.278 -1.489 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . rr_2m6c 1
. 10 . 1105 . 1 1 2 CYS O O 3.987 4.844 -2.004 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . rr_2m6c 1
. 10 . 1106 . 1 1 2 CYS SG S 1.284 6.283 -1.335 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . rr_2m6c 1
. 10 . 1107 . 1 1 3 VAL C C 4.628 5.983 -4.476 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . rr_2m6c 1
. 10 . 1108 . 1 1 3 VAL CA C 4.430 4.491 -4.716 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . rr_2m6c 1
. 10 . 1109 . 1 1 3 VAL CB C 4.260 4.243 -6.227 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . rr_2m6c 1
. 10 . 1110 . 1 1 3 VAL CG1 C 4.517 2.781 -6.561 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . rr_2m6c 1
. 10 . 1111 . 1 1 3 VAL CG2 C 2.872 4.667 -6.683 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . rr_2m6c 1
. 10 . 1112 . 1 1 3 VAL H H 2.600 3.468 -4.430 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . rr_2m6c 1
. 10 . 1113 . 1 1 3 VAL HA H 5.312 3.962 -4.383 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . rr_2m6c 1
. 10 . 1114 . 1 1 3 VAL HB H 4.988 4.843 -6.754 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . rr_2m6c 1
. 10 . 1115 . 1 1 3 VAL HG11 H 5.581 2.610 -6.630 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . rr_2m6c 1
. 10 . 1116 . 1 1 3 VAL HG12 H 4.099 2.156 -5.785 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . rr_2m6c 1
. 10 . 1117 . 1 1 3 VAL HG13 H 4.052 2.541 -7.506 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . rr_2m6c 1
. 10 . 1118 . 1 1 3 VAL HG21 H 2.955 5.287 -7.563 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . rr_2m6c 1
. 10 . 1119 . 1 1 3 VAL HG22 H 2.286 3.789 -6.913 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . rr_2m6c 1
. 10 . 1120 . 1 1 3 VAL HG23 H 2.388 5.225 -5.894 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . rr_2m6c 1
. 10 . 1121 . 1 1 3 VAL N N 3.290 3.984 -3.963 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . rr_2m6c 1
. 10 . 1122 . 1 1 3 VAL O O 3.826 6.782 -4.957 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . rr_2m6c 1
. 10 . 1123 . 1 1 4 . C C 6.605 7.821 -2.066 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . rr_2m6c 1
. 10 . 1124 . 1 1 4 . CA C 5.969 7.717 -3.454 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . rr_2m6c 1
. 10 . 1125 . 1 1 4 . CB C 6.819 8.334 -4.567 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . rr_2m6c 1
. 10 . 1126 . 1 1 4 . CD1 C 9.257 8.391 -3.926 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . rr_2m6c 1
. 10 . 1127 . 1 1 4 . CD2 C 8.570 7.709 -6.271 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . rr_2m6c 1
. 10 . 1128 . 1 1 4 . CG C 8.196 7.704 -4.787 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . rr_2m6c 1
. 10 . 1129 . 1 1 4 . H H 6.329 5.667 -3.360 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . rr_2m6c 1
. 10 . 1130 . 1 1 4 . HA H 5.020 8.251 -3.440 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . rr_2m6c 1
. 10 . 1131 . 1 1 4 . HB2 H 6.957 9.393 -4.348 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . rr_2m6c 1
. 10 . 1132 . 1 1 4 . HB3 H 6.260 8.272 -5.501 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . rr_2m6c 1
. 10 . 1133 . 1 1 4 . HD11 H 9.294 7.916 -2.946 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . rr_2m6c 1
. 10 . 1134 . 1 1 4 . HD12 H 9.004 9.445 -3.809 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . rr_2m6c 1
. 10 . 1135 . 1 1 4 . HD13 H 10.230 8.303 -4.409 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . rr_2m6c 1
. 10 . 1136 . 1 1 4 . HD21 H 8.999 6.744 -6.540 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . rr_2m6c 1
. 10 . 1137 . 1 1 4 . HD22 H 9.300 8.496 -6.459 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . rr_2m6c 1
. 10 . 1138 . 1 1 4 . HD23 H 7.678 7.890 -6.870 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . rr_2m6c 1
. 10 . 1139 . 1 1 4 . HG H 8.150 6.662 -4.470 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . rr_2m6c 1
. 10 . 1140 . 1 1 4 . N N 5.681 6.323 -3.747 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . rr_2m6c 1
. 10 . 1141 . 1 1 4 . O O 7.324 8.768 -1.747 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . rr_2m6c 1
. 10 . 1142 . 1 1 5 TYR C C 8.360 6.987 0.121 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_2m6c 1
. 10 . 1143 . 1 1 5 TYR CA C 6.849 6.772 0.116 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_2m6c 1
. 10 . 1144 . 1 1 5 TYR CB C 6.511 5.433 0.772 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_2m6c 1
. 10 . 1145 . 1 1 5 TYR CD1 C 4.249 6.269 1.521 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_2m6c 1
. 10 . 1146 . 1 1 5 TYR CD2 C 5.471 4.853 2.999 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_2m6c 1
. 10 . 1147 . 1 1 5 TYR CE1 C 3.222 6.351 2.441 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_2m6c 1
. 10 . 1148 . 1 1 5 TYR CE2 C 4.448 4.929 3.924 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_2m6c 1
. 10 . 1149 . 1 1 5 TYR CG C 5.390 5.519 1.782 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_2m6c 1
. 10 . 1150 . 1 1 5 TYR CZ C 3.326 5.679 3.641 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_2m6c 1
. 10 . 1151 . 1 1 5 TYR H H 5.743 6.092 -1.554 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_2m6c 1
. 10 . 1152 . 1 1 5 TYR HA H 6.382 7.566 0.680 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_2m6c 1
. 10 . 1153 . 1 1 5 TYR HB2 H 6.215 4.730 0.009 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_2m6c 1
. 10 . 1154 . 1 1 5 TYR HB3 H 7.387 5.057 1.280 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_2m6c 1
. 10 . 1155 . 1 1 5 TYR HD1 H 4.170 6.794 0.580 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_2m6c 1
. 10 . 1156 . 1 1 5 TYR HD2 H 6.351 4.267 3.218 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_2m6c 1
. 10 . 1157 . 1 1 5 TYR HE1 H 2.343 6.938 2.219 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_2m6c 1
. 10 . 1158 . 1 1 5 TYR HE2 H 4.529 4.403 4.864 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_2m6c 1
. 10 . 1159 . 1 1 5 TYR HH H 2.406 5.059 5.211 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_2m6c 1
. 10 . 1160 . 1 1 5 TYR N N 6.322 6.818 -1.242 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_2m6c 1
. 10 . 1161 . 1 1 5 TYR O O 9.041 6.816 -0.890 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_2m6c 1
. 10 . 1162 . 1 1 5 TYR OH O 2.305 5.759 4.561 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_2m6c 1
. 10 . 1163 . 1 1 6 PRO C C 7.199 8.807 2.396 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . rr_2m6c 1
. 10 . 1164 . 1 1 6 PRO CA C 8.097 7.579 2.499 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . rr_2m6c 1
. 10 . 1165 . 1 1 6 PRO CB C 9.151 7.776 3.592 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . rr_2m6c 1
. 10 . 1166 . 1 1 6 PRO CD C 10.329 7.633 1.516 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . rr_2m6c 1
. 10 . 1167 . 1 1 6 PRO CG C 10.352 8.283 2.872 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . rr_2m6c 1
. 10 . 1168 . 1 1 6 PRO HA H 7.495 6.712 2.729 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . rr_2m6c 1
. 10 . 1169 . 1 1 6 PRO HB2 H 8.791 8.493 4.316 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . rr_2m6c 1
. 10 . 1170 . 1 1 6 PRO HB3 H 9.351 6.833 4.078 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . rr_2m6c 1
. 10 . 1171 . 1 1 6 PRO HD2 H 10.722 8.305 0.768 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . rr_2m6c 1
. 10 . 1172 . 1 1 6 PRO HD3 H 10.891 6.710 1.531 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . rr_2m6c 1
. 10 . 1173 . 1 1 6 PRO HG2 H 10.296 9.357 2.774 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . rr_2m6c 1
. 10 . 1174 . 1 1 6 PRO HG3 H 11.247 8.001 3.407 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . rr_2m6c 1
. 10 . 1175 . 1 1 6 PRO N N 8.898 7.371 1.288 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . rr_2m6c 1
. 10 . 1176 . 1 1 6 PRO O O 6.290 8.992 3.205 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . rr_2m6c 1
. 10 . 1177 . 1 1 7 TRP C C 5.654 10.656 0.074 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . rr_2m6c 1
. 10 . 1178 . 1 1 7 TRP CA C 6.674 10.854 1.190 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . rr_2m6c 1
. 10 . 1179 . 1 1 7 TRP CB C 7.592 12.031 0.857 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . rr_2m6c 1
. 10 . 1180 . 1 1 7 TRP CD1 C 7.462 14.431 1.746 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . rr_2m6c 1
. 10 . 1181 . 1 1 7 TRP CD2 C 7.809 12.881 3.325 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . rr_2m6c 1
. 10 . 1182 . 1 1 7 TRP CE2 C 7.758 14.147 3.941 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . rr_2m6c 1
. 10 . 1183 . 1 1 7 TRP CE3 C 8.017 11.752 4.122 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . rr_2m6c 1
. 10 . 1184 . 1 1 7 TRP CG C 7.617 13.085 1.921 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . rr_2m6c 1
. 10 . 1185 . 1 1 7 TRP CH2 C 8.112 13.190 6.072 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . rr_2m6c 1
. 10 . 1186 . 1 1 7 TRP CZ2 C 7.910 14.312 5.315 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . rr_2m6c 1
. 10 . 1187 . 1 1 7 TRP CZ3 C 8.167 11.918 5.486 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . rr_2m6c 1
. 10 . 1188 . 1 1 7 TRP H H 8.198 9.441 0.785 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . rr_2m6c 1
. 10 . 1189 . 1 1 7 TRP HA H 6.148 11.068 2.109 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . rr_2m6c 1
. 10 . 1190 . 1 1 7 TRP HB2 H 8.600 11.667 0.724 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . rr_2m6c 1
. 10 . 1191 . 1 1 7 TRP HB3 H 7.256 12.491 -0.062 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . rr_2m6c 1
. 10 . 1192 . 1 1 7 TRP HD1 H 7.300 14.905 0.790 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . rr_2m6c 1
. 10 . 1193 . 1 1 7 TRP HE1 H 7.467 16.043 3.093 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . rr_2m6c 1
. 10 . 1194 . 1 1 7 TRP HE3 H 8.062 10.764 3.690 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . rr_2m6c 1
. 10 . 1195 . 1 1 7 TRP HH2 H 8.235 13.272 7.140 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . rr_2m6c 1
. 10 . 1196 . 1 1 7 TRP HZ2 H 7.869 15.286 5.782 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . rr_2m6c 1
. 10 . 1197 . 1 1 7 TRP HZ3 H 8.329 11.057 6.118 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . rr_2m6c 1
. 10 . 1198 . 1 1 7 TRP N N 7.460 9.643 1.398 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . rr_2m6c 1
. 10 . 1199 . 1 1 7 TRP NE1 N 7.547 15.075 2.957 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . rr_2m6c 1
. 10 . 1200 . 1 1 7 TRP O O 5.939 10.921 -1.094 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . rr_2m6c 1
. 10 . 1201 . 1 1 8 CYS C C 2.599 11.230 -0.773 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_2m6c 1
. 10 . 1202 . 1 1 8 CYS CA C 3.403 9.956 -0.530 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_2m6c 1
. 10 . 1203 . 1 1 8 CYS CB C 2.476 8.840 -0.044 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_2m6c 1
. 10 . 1204 . 1 1 8 CYS H H 4.298 9.997 1.388 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_2m6c 1
. 10 . 1205 . 1 1 8 CYS HA H 3.862 9.652 -1.458 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_2m6c 1
. 10 . 1206 . 1 1 8 CYS HB2 H 2.904 8.385 0.838 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_2m6c 1
. 10 . 1207 . 1 1 8 CYS HB3 H 1.515 9.265 0.208 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_2m6c 1
. 10 . 1208 . 1 1 8 CYS N N 4.465 10.190 0.441 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_2m6c 1
. 10 . 1209 . 1 1 8 CYS O O 1.472 11.180 -1.268 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_2m6c 1
. 10 . 1210 . 1 1 8 CYS SG S 2.196 7.520 -1.267 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_2m6c 1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_framecode global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID rr_2m6c
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2m6c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2m6c 1
1 2m6c.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 2 rr_2m6c 1
1 2m6c.mr . . DYANA/DIANA 3 distance "general distance" simple 4 rr_2m6c 1
1 2m6c.mr . . DYANA/DIANA 4 distance NOE simple 32 rr_2m6c 1
1 2m6c.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 3 rr_2m6c 1
1 2m6c.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2m6c 1
stop_
save_
save_constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Entry_ID rr_2m6c
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 "From CCPN project: '2m6c'" . . . . distance "general distance" . 4 rr_2m6c 1
2 "From CCPN project: '2m6c'" . . . . distance "general distance" . 24 rr_2m6c 1
3 "From CCPN project: '2m6c'" . . . . distance "hydrogen bond" . 2 rr_2m6c 1
4 "From CCPN project: '2m6c'" . . . . "dihedral angle" "Not applicable" . 1 rr_2m6c 1
stop_
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2m6c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2m6c 1
1 2m6c.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 2 rr_2m6c 1
1 2m6c.mr . . DYANA/DIANA 3 distance "general distance" simple 4 rr_2m6c 1
1 2m6c.mr . . DYANA/DIANA 4 distance NOE simple 32 rr_2m6c 1
1 2m6c.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 3 rr_2m6c 1
1 2m6c.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2m6c 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID rr_2m6c
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type "general distance"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 3
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_2m6c 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 2 2 CYS SG S . . . 1 1 8 8 CYS SG S . . . . . . . 2.1 . . . . . A . 2 CYS SG . . A . 8 CYS SG . . . 2 CYSS SG . . . . . 8 CYSS SG . . rr_2m6c 1
2 1 . . 1 1 2 2 CYS SG S . . . 1 1 8 8 CYS CB C . . . . . . . 3.1 . . . . . A . 2 CYS SG . . A . 8 CYS CB . . . 2 CYSS SG . . . . . 8 CYSS CB . . rr_2m6c 1
3 1 . . 1 1 8 8 CYS SG S . . . 1 1 2 2 CYS CB C . . . . . . . 3.1 . . . . . A . 8 CYS SG . . A . 2 CYS CB . . . 8 CYSS SG . . . . . 2 CYSS CB . . rr_2m6c 1
4 1 . . 1 1 8 8 CYS CB C . . . 1 1 2 2 CYS CB C . . . . . . . 4.5 . . . . . A . 8 CYS CB . . A . 2 CYS CB . . . 8 CYSS CB . . . . . 2 CYSS CB . . rr_2m6c 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4
_Gen_dist_constraint_list.Entry_ID rr_2m6c
_Gen_dist_constraint_list.ID 3
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 4
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_2m6c 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 2 2 CYS HA H . . . 1 1 3 3 VAL H H . . . . . . . 2.40 . . . . . A . 2 CYS HA . . A . 3 VAL H . . . 2 CYSS HA . . . . . 3 VAL H . . rr_2m6c 2
2 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL HA H . . . . . . . 3.50 . . . . . A . 3 VAL H . . A . 3 VAL HA . . . 3 VAL H . . . . . 3 VAL HA . . rr_2m6c 2
3 1 OR . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL MG1 H . . . . . . . 5.00 . . . . . A . 3 VAL H . . A . 3 VAL MG1 . . . 3 VAL H . . . . . 3 VAL QQG . . rr_2m6c 2
3 2 OR . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL MG2 H . . . . . . . 5.00 . . . . . A . 3 VAL H . . A . 3 VAL MG2 . . . 3 VAL H . . . . . 3 VAL QQG . . rr_2m6c 2
4 1 OR . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL MG1 H . . . . . . . 3.50 . . . . . A . 3 VAL HA . . A . 3 VAL MG1 . . . 3 VAL HA . . . . . 3 VAL QQG . . rr_2m6c 2
4 2 OR . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL MG2 H . . . . . . . 3.50 . . . . . A . 3 VAL HA . . A . 3 VAL MG2 . . . 3 VAL HA . . . . . 3 VAL QQG . . rr_2m6c 2
5 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL HB H . . . . . . . 5.00 . . . . . A . 3 VAL H . . A . 3 VAL HB . . . 3 VAL H . . . . . 3 VAL HB . . rr_2m6c 2
6 1 . . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR QD H . . . . . . . 3.15 . . . . . A . 5 TYR HA . . A . 5 TYR QD . . . 5 TYR HA . . . . . 5 TYR QD . . rr_2m6c 2
7 1 OR . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB2 H . . . . . . . 3.50 . . . . . A . 5 TYR H . . A . 5 TYR HB2 . . . 5 TYR H . . . . . 5 TYR QB . . rr_2m6c 2
7 2 OR . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB3 H . . . . . . . 3.50 . . . . . A . 5 TYR H . . A . 5 TYR HB3 . . . 5 TYR H . . . . . 5 TYR QB . . rr_2m6c 2
8 1 . . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HA H . . . . . . . 3.50 . . . . . A . 5 TYR H . . A . 5 TYR HA . . . 5 TYR H . . . . . 5 TYR HA . . rr_2m6c 2
9 1 OR . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR HB2 H . . . . . . . 3.50 . . . . . A . 5 TYR HA . . A . 5 TYR HB2 . . . 5 TYR HA . . . . . 5 TYR QB . . rr_2m6c 2
9 2 OR . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR HB3 H . . . . . . . 3.50 . . . . . A . 5 TYR HA . . A . 5 TYR HB3 . . . 5 TYR HA . . . . . 5 TYR QB . . rr_2m6c 2
10 1 . . 1 1 5 5 TYR HA H . . . 1 1 6 6 PRO HA H . . . . . . . 2.40 . . . . . A . 5 TYR HA . . A . 6 PRO HA . . . 5 TYR HA . . . . . 6 PRO HA . . rr_2m6c 2
11 1 OR . 1 1 5 5 TYR QD H . . . 1 1 6 6 PRO HD2 H . . . . . . . 5.00 . . . . . A . 5 TYR QD . . A . 6 PRO HD2 . . . 5 TYR QD . . . . . 6 PRO QD . . rr_2m6c 2
11 2 OR . 1 1 5 5 TYR QD H . . . 1 1 6 6 PRO HD3 H . . . . . . . 5.00 . . . . . A . 5 TYR QD . . A . 6 PRO HD3 . . . 5 TYR QD . . . . . 6 PRO QD . . rr_2m6c 2
12 1 . . 1 1 5 5 TYR QD H . . . 1 1 6 6 PRO HA H . . . . . . . 3.50 . . . . . A . 5 TYR QD . . A . 6 PRO HA . . . 5 TYR QD . . . . . 6 PRO HA . . rr_2m6c 2
13 1 OR . 1 1 5 5 TYR QE H . . . 1 1 6 6 PRO HB2 H . . . . . . . 5.00 . . . . . A . 5 TYR QE . . A . 6 PRO HB2 . . . 5 TYR QE . . . . . 6 PRO QB . . rr_2m6c 2
13 2 OR . 1 1 6 6 PRO HB3 H . . . 1 1 5 5 TYR QE H . . . . . . . 5.00 . . . . . A . 6 PRO HB3 . . A . 5 TYR QE . . . 6 PRO QB . . . . . 5 TYR QE . . rr_2m6c 2
14 1 . . 1 1 6 6 PRO HA H . . . 1 1 5 5 TYR QE H . . . . . . . 5.00 . . . . . A . 6 PRO HA . . A . 5 TYR QE . . . 6 PRO HA . . . . . 5 TYR QE . . rr_2m6c 2
15 1 . . 1 1 5 5 TYR HA H . . . 1 1 7 7 TRP H H . . . . . . . 3.00 . . . . . A . 5 TYR HA . . A . 7 TRP H . . . 5 TYR HA . . . . . 7 TRP H . . rr_2m6c 2
16 1 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HD2 H . . . . . . . 3.50 . . . . . A . 7 TRP H . . A . 6 PRO HD2 . . . 7 TRP H . . . . . 6 PRO QD . . rr_2m6c 2
16 2 OR . 1 1 6 6 PRO HD3 H . . . 1 1 7 7 TRP H H . . . . . . . 3.50 . . . . . A . 6 PRO HD3 . . A . 7 TRP H . . . 6 PRO QD . . . . . 7 TRP H . . rr_2m6c 2
17 1 . . 1 1 6 6 PRO HA H . . . 1 1 7 7 TRP H H . . . . . . . 3.50 . . . . . A . 6 PRO HA . . A . 7 TRP H . . . 6 PRO HA . . . . . 7 TRP H . . rr_2m6c 2
18 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HA H . . . . . . . 3.50 . . . . . A . 7 TRP H . . A . 7 TRP HA . . . 7 TRP H . . . . . 7 TRP HA . . rr_2m6c 2
19 1 . . 1 1 7 7 TRP HA H . . . 1 1 7 7 TRP HE3 H . . . . . . . 2.50 . . . . . A . 7 TRP HA . . A . 7 TRP HE3 . . . 7 TRP HA . . . . . 7 TRP HE3 . . rr_2m6c 2
20 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HE3 H . . . . . . . 3.50 . . . . . A . 7 TRP H . . A . 7 TRP HE3 . . . 7 TRP H . . . . . 7 TRP HE3 . . rr_2m6c 2
21 1 . . 1 1 7 7 TRP H H . . . 1 1 8 8 CYS H H . . . . . . . 5.00 . . . . . A . 7 TRP H . . A . 8 CYS H . . . 7 TRP H . . . . . 8 CYSS H . . rr_2m6c 2
22 1 . . 1 1 5 5 TYR HA H . . . 1 1 8 8 CYS H H . . . . . . . 3.50 . . . . . A . 5 TYR HA . . A . 8 CYS H . . . 5 TYR HA . . . . . 8 CYSS H . . rr_2m6c 2
23 1 . . 1 1 7 7 TRP HA H . . . 1 1 8 8 CYS H H . . . . . . . 3.50 . . . . . A . 7 TRP HA . . A . 8 CYS H . . . 7 TRP HA . . . . . 8 CYSS H . . rr_2m6c 2
24 1 . . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HA H . . . . . . . 3.00 . . . . . A . 8 CYS H . . A . 8 CYS HA . . . 8 CYSS H . . . . . 8 CYSS HA . . rr_2m6c 2
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 4 6 1 "Not handling restraint 6, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6c 2
2 4 7 1 "Not handling restraint 7, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_2m6c 2
3 4 8 1 "Not handling restraint 8, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.QQD' (nmrStar names) not linked" rr_2m6c 2
4 4 9 1 "Not handling restraint 9, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.QB' (nmrStar names) not linked" rr_2m6c 2
5 4 10 1 "Not handling restraint 10, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.QB' (nmrStar names) not linked" rr_2m6c 2
6 4 11 1 "Not handling restraint 11, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_2m6c 2
7 4 12 1 "Not handling restraint 12, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6c 2
8 4 13 1 "Not handling restraint 13, item 1, resonance(s) ' .4.QB' (nmrStar names) not linked" rr_2m6c 2
stop_
save_
save_DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_2m6c
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type "hydrogen bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_2m6c 3
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 5 5 TYR H H . . . 1 1 2 2 CYS O O . . . . . . . 2.2 . . . . . A . 5 TYR H . . A . 2 CYS O . . . 5 TYR H . . . . . 2 CYSS O . . rr_2m6c 3
2 1 . . 1 1 2 2 CYS O O . . . 1 1 5 5 TYR N N . . . . . . . 3.2 . . . . . A . 2 CYS O . . A . 5 TYR N . . . 2 CYSS O . . . . . 5 TYR N . . rr_2m6c 3
stop_
save_
save_DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Entry_ID rr_2m6c
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_2m6c 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_2m6c 1
2 1 . . . rr_2m6c 1
3 1 . . . rr_2m6c 1
4 1 . . . rr_2m6c 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 2 2 CYS SG S . . . . 2 CYSS SG rr_2m6c 1
1 1 . 2 . 1 1 8 8 CYS SG S . . . . 8 CYSS SG rr_2m6c 1
2 1 . 1 . 1 1 2 2 CYS SG S . . . . 2 CYSS SG rr_2m6c 1
2 1 . 2 . 1 1 8 8 CYS CB C . . . . 8 CYSS CB rr_2m6c 1
3 1 . 1 . 1 1 2 2 CYS CB C . . . . 2 CYSS CB rr_2m6c 1
3 1 . 2 . 1 1 8 8 CYS SG S . . . . 8 CYSS SG rr_2m6c 1
4 1 . 1 . 1 1 2 2 CYS CB C . . . . 2 CYSS CB rr_2m6c 1
4 1 . 2 . 1 1 8 8 CYS CB C . . . . 8 CYSS CB rr_2m6c 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . . 2.1 rr_2m6c 1
2 1 . . . . . . . . 3.1 rr_2m6c 1
3 1 . . . . . . . . 3.1 rr_2m6c 1
4 1 . . . . . . . . 4.5 rr_2m6c 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Entry_ID rr_2m6c
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_2m6c 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_2m6c 2
2 1 . . . rr_2m6c 2
3 1 2 . OR rr_2m6c 2
3 2 . 3 . rr_2m6c 2
3 3 . . . rr_2m6c 2
4 1 2 . OR rr_2m6c 2
4 2 . 3 . rr_2m6c 2
4 3 . . . rr_2m6c 2
5 1 . . . rr_2m6c 2
6 1 . . . rr_2m6c 2
7 1 2 . OR rr_2m6c 2
7 2 . 3 . rr_2m6c 2
7 3 . . . rr_2m6c 2
8 1 . . . rr_2m6c 2
9 1 2 . OR rr_2m6c 2
9 2 . 3 . rr_2m6c 2
9 3 . . . rr_2m6c 2
10 1 . . . rr_2m6c 2
11 1 2 . OR rr_2m6c 2
11 2 . 3 . rr_2m6c 2
11 3 . . . rr_2m6c 2
12 1 . . . rr_2m6c 2
13 1 2 . OR rr_2m6c 2
13 2 . 3 . rr_2m6c 2
13 3 . . . rr_2m6c 2
14 1 . . . rr_2m6c 2
15 1 . . . rr_2m6c 2
16 1 2 . OR rr_2m6c 2
16 2 . 3 . rr_2m6c 2
16 3 . . . rr_2m6c 2
17 1 . . . rr_2m6c 2
18 1 . . . rr_2m6c 2
19 1 . . . rr_2m6c 2
20 1 . . . rr_2m6c 2
21 1 . . . rr_2m6c 2
22 1 . . . rr_2m6c 2
23 1 . . . rr_2m6c 2
24 1 . . . rr_2m6c 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 2 2 CYS HA H . . . . 2 CYSS HA rr_2m6c 2
1 1 . 2 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6c 2
2 1 . 1 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6c 2
2 1 . 2 . 1 1 3 3 VAL HA H . . . . 3 VAL HA rr_2m6c 2
3 2 . 1 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6c 2
3 2 . 2 . 1 1 3 3 VAL MG1 H . . . . 3 VAL QQG rr_2m6c 2
3 3 . 1 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6c 2
3 3 . 2 . 1 1 3 3 VAL MG2 H . . . . 3 VAL QQG rr_2m6c 2
4 2 . 1 . 1 1 3 3 VAL HA H . . . . 3 VAL HA rr_2m6c 2
4 2 . 2 . 1 1 3 3 VAL MG1 H . . . . 3 VAL QQG rr_2m6c 2
4 3 . 1 . 1 1 3 3 VAL HA H . . . . 3 VAL HA rr_2m6c 2
4 3 . 2 . 1 1 3 3 VAL MG2 H . . . . 3 VAL QQG rr_2m6c 2
5 1 . 1 . 1 1 3 3 VAL H H . . . . 3 VAL H rr_2m6c 2
5 1 . 2 . 1 1 3 3 VAL HB H . . . . 3 VAL HB rr_2m6c 2
6 1 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6c 2
6 1 . 2 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2m6c 2
7 2 . 1 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2m6c 2
7 2 . 2 . 1 1 5 5 TYR HB2 H . . . . 5 TYR QB rr_2m6c 2
7 3 . 1 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2m6c 2
7 3 . 2 . 1 1 5 5 TYR HB3 H . . . . 5 TYR QB rr_2m6c 2
8 1 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6c 2
8 1 . 2 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2m6c 2
9 2 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6c 2
9 2 . 2 . 1 1 5 5 TYR HB2 H . . . . 5 TYR QB rr_2m6c 2
9 3 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6c 2
9 3 . 2 . 1 1 5 5 TYR HB3 H . . . . 5 TYR QB rr_2m6c 2
10 1 . 1 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6c 2
10 1 . 2 . 1 1 6 6 PRO HA H . . . . 6 PRO HA rr_2m6c 2
11 2 . 1 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2m6c 2
11 2 . 2 . 1 1 6 6 PRO HD2 H . . . . 6 PRO QD rr_2m6c 2
11 3 . 1 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2m6c 2
11 3 . 2 . 1 1 6 6 PRO HD3 H . . . . 6 PRO QD rr_2m6c 2
12 1 . 1 . 1 1 5 5 TYR QD H . . . . 5 TYR QD rr_2m6c 2
12 1 . 2 . 1 1 6 6 PRO HA H . . . . 6 PRO HA rr_2m6c 2
13 2 . 1 . 1 1 6 6 PRO HB2 H . . . . 6 PRO QB rr_2m6c 2
13 2 . 2 . 1 1 5 5 TYR QE H . . . . 5 TYR QE rr_2m6c 2
13 3 . 1 . 1 1 6 6 PRO HB3 H . . . . 6 PRO QB rr_2m6c 2
13 3 . 2 . 1 1 5 5 TYR QE H . . . . 5 TYR QE rr_2m6c 2
14 1 . 1 . 1 1 6 6 PRO HA H . . . . 6 PRO HA rr_2m6c 2
14 1 . 2 . 1 1 5 5 TYR QE H . . . . 5 TYR QE rr_2m6c 2
15 1 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6c 2
15 1 . 2 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6c 2
16 2 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6c 2
16 2 . 2 . 1 1 6 6 PRO HD2 H . . . . 6 PRO QD rr_2m6c 2
16 3 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6c 2
16 3 . 2 . 1 1 6 6 PRO HD3 H . . . . 6 PRO QD rr_2m6c 2
17 1 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6c 2
17 1 . 2 . 1 1 6 6 PRO HA H . . . . 6 PRO HA rr_2m6c 2
18 1 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6c 2
18 1 . 2 . 1 1 7 7 TRP HA H . . . . 7 TRP HA rr_2m6c 2
19 1 . 1 . 1 1 7 7 TRP HA H . . . . 7 TRP HA rr_2m6c 2
19 1 . 2 . 1 1 7 7 TRP HE3 H . . . . 7 TRP HE3 rr_2m6c 2
20 1 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6c 2
20 1 . 2 . 1 1 7 7 TRP HE3 H . . . . 7 TRP HE3 rr_2m6c 2
21 1 . 1 . 1 1 7 7 TRP H H . . . . 7 TRP H rr_2m6c 2
21 1 . 2 . 1 1 8 8 CYS H H . . . . 8 CYSS H rr_2m6c 2
22 1 . 1 . 1 1 8 8 CYS H H . . . . 8 CYSS H rr_2m6c 2
22 1 . 2 . 1 1 5 5 TYR HA H . . . . 5 TYR HA rr_2m6c 2
23 1 . 1 . 1 1 8 8 CYS H H . . . . 8 CYSS H rr_2m6c 2
23 1 . 2 . 1 1 7 7 TRP HA H . . . . 7 TRP HA rr_2m6c 2
24 1 . 1 . 1 1 8 8 CYS H H . . . . 8 CYSS H rr_2m6c 2
24 1 . 2 . 1 1 8 8 CYS HA H . . . . 8 CYSS HA rr_2m6c 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . . 2.40 rr_2m6c 2
2 1 . . . . . . . . 3.50 rr_2m6c 2
3 2 . . . . . . . . 5.00 rr_2m6c 2
3 3 . . . . . . . . 5.00 rr_2m6c 2
4 2 . . . . . . . . 3.50 rr_2m6c 2
4 3 . . . . . . . . 3.50 rr_2m6c 2
5 1 . . . . . . . . 5.00 rr_2m6c 2
6 1 . . . . . . . . 3.15 rr_2m6c 2
7 2 . . . . . . . . 3.50 rr_2m6c 2
7 3 . . . . . . . . 3.50 rr_2m6c 2
8 1 . . . . . . . . 3.50 rr_2m6c 2
9 2 . . . . . . . . 3.50 rr_2m6c 2
9 3 . . . . . . . . 3.50 rr_2m6c 2
10 1 . . . . . . . . 2.40 rr_2m6c 2
11 2 . . . . . . . . 5.00 rr_2m6c 2
11 3 . . . . . . . . 5.00 rr_2m6c 2
12 1 . . . . . . . . 3.50 rr_2m6c 2
13 2 . . . . . . . . 5.00 rr_2m6c 2
13 3 . . . . . . . . 5.00 rr_2m6c 2
14 1 . . . . . . . . 5.00 rr_2m6c 2
15 1 . . . . . . . . 3.00 rr_2m6c 2
16 2 . . . . . . . . 3.50 rr_2m6c 2
16 3 . . . . . . . . 3.50 rr_2m6c 2
17 1 . . . . . . . . 3.50 rr_2m6c 2
18 1 . . . . . . . . 3.50 rr_2m6c 2
19 1 . . . . . . . . 2.50 rr_2m6c 2
20 1 . . . . . . . . 3.50 rr_2m6c 2
21 1 . . . . . . . . 5.00 rr_2m6c 2
22 1 . . . . . . . . 3.50 rr_2m6c 2
23 1 . . . . . . . . 3.50 rr_2m6c 2
24 1 . . . . . . . . 3.00 rr_2m6c 2
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 4 6 1 "Not handling restraint 6, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6c 2
2 4 7 1 "Not handling restraint 7, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.HA' (nmrStar names) not linked" rr_2m6c 2
3 4 8 1 "Not handling restraint 8, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.QQD' (nmrStar names) not linked" rr_2m6c 2
4 4 9 1 "Not handling restraint 9, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.QB' (nmrStar names) not linked" rr_2m6c 2
5 4 10 1 "Not handling restraint 10, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.QB' (nmrStar names) not linked" rr_2m6c 2
6 4 11 1 "Not handling restraint 11, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" rr_2m6c 2
7 4 12 1 "Not handling restraint 12, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" rr_2m6c 2
8 4 13 1 "Not handling restraint 13, item 1, resonance(s) ' .4.QB' (nmrStar names) not linked" rr_2m6c 2
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_2m6c
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_2m6c 3
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_2m6c 3
2 1 . . . rr_2m6c 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 2 2 CYS O O . . . . 2 CYSS O rr_2m6c 3
1 1 . 2 . 1 1 5 5 TYR H H . . . . 5 TYR H rr_2m6c 3
2 1 . 1 . 1 1 2 2 CYS O O . . . . 2 CYSS O rr_2m6c 3
2 1 . 2 . 1 1 5 5 TYR N N . . . . 5 TYR N rr_2m6c 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . . 2.2 rr_2m6c 3
2 1 . . . . . . . . 3.2 rr_2m6c 3
stop_
save_
save_DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Entry_ID rr_2m6c
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_2m6c 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI . 1 1 6 6 PRO C C . . 1 1 7 7 TRP N N . . 1 1 7 7 TRP CA C . . 1 1 7 7 TRP C C . -150.0 -90.0 . . . A . 6 PRO C . . A . 7 TRP N . . A . 7 TRP CA . . A . 7 TRP C . . . 7 TRP . . . . . . 7 TRP . . . . . . 7 TRP . . . . . . 7 TRP . . . rr_2m6c 1
stop_
loop_
_TA_constraint_conv_err.ID
_TA_constraint_conv_err.Parse_file_ID
_TA_constraint_conv_err.Parse_file_constraint_ID
_TA_constraint_conv_err.Conv_error_type
_TA_constraint_conv_err.Conv_error_note
_TA_constraint_conv_err.Entry_ID
_TA_constraint_conv_err.Torsion_angle_constraint_list_ID
1 5 2 1 "Not handling restraint 2, resonance(s) ' .4.C' (nmrStar names) not linked" rr_2m6c 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_2m6c
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "*HEADER TOXIN 28-MAR-13 2M6C *TITLE NMR SOLUTION STRUCTURE OF CIS (MINOR) FORM OF IN936 IN WATER *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CONTRYPHAN-IN; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CONUS INSCRIPTUS; *SOURCE 4 ORGANISM_COMMON: ENGRAVED CONE; *SOURCE 5 ORGANISM_TAXID: 257329 *KEYWDS CIS IN936, WATER, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR R.SONTI *REVDAT 1 30-OCT-13 2M6C 0"
save_
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