NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
309533 |
1r9v   |
6039 | cing | 3-converted-DOCR | STAR | entry | full |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1r9v
# This DOCR archive file contains, for PDB entry <1r9v>:
#
# - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_1r9v
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1r9v"
_Entry.NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 1r9v"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1r9v
_Assembly.ID 1
_Assembly.Name 1r9v
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 696.9692
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 "BOC D NLE L NLE 4 D NLE METHYL L NLE D NLE L NLE METHYL ESTER" 1 $BOC__D_NLE_L_NLE_4_D_NLE_METHYL__L_NLE_D_NLE_L_NLE_METHYL_ESTER A . no . . . . . . rr_1r9v 1
stop_
save_
save_BOC__D_NLE_L_NLE_4_D_NLE_METHYL__L_NLE_D_NLE_L_NLE_METHYL_ESTER
_Entity.Sf_category entity
_Entity.Sf_framecode BOC__D_NLE_L_NLE_4_D_NLE_METHYL__L_NLE_D_NLE_L_NLE_METHYL_ESTER
_Entity.Entry_ID rr_1r9v
_Entity.ID 1
_Entity.Name BOC__D_NLE_L_NLE_4_D_NLE_METHYL__L_NLE_D_NLE_L_NLE_METHYL_ESTER
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code XXXXXX
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 6
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 696.9692
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 . NLE . rr_1r9v 1
2 . NLE . rr_1r9v 1
3 . NLE . rr_1r9v 1
4 . NLE . rr_1r9v 1
5 . NLE . rr_1r9v 1
6 . NLE . rr_1r9v 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
. NLE 1 1 rr_1r9v 1
. NLE 2 2 rr_1r9v 1
. NLE 3 3 rr_1r9v 1
. NLE 4 4 rr_1r9v 1
. NLE 5 5 rr_1r9v 1
. NLE 6 6 rr_1r9v 1
stop_
save_
save_chem_comp_NLE_1
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NLE_1
_Chem_comp.Entry_ID rr_1r9v
_Chem_comp.ID NLE
_Chem_comp.Name NORLEUCINE
_Chem_comp.Type "L-peptide NH3 amino terminus"
_Chem_comp.PDB_code NLE
_Chem_comp.Std_deriv_one_letter_code L
_Chem_comp.Std_deriv_three_letter_code Leu
_Chem_comp.Std_deriv_PDB_code LEU
_Chem_comp.Std_deriv_chem_comp_name LEUCINE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C6 H12 N O"
_Chem_comp.Formula_weight 114.1669
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
L-norleucine name rr_1r9v NLE
stop_
save_
save_chem_comp_NLE_1_2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NLE_1_2
_Chem_comp.Entry_ID rr_1r9v
_Chem_comp.ID NLE
_Chem_comp.Name NORLEUCINE
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code NLE
_Chem_comp.Std_deriv_one_letter_code L
_Chem_comp.Std_deriv_three_letter_code Leu
_Chem_comp.Std_deriv_PDB_code LEU
_Chem_comp.Std_deriv_chem_comp_name LEUCINE
_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
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
L-norleucine name rr_1r9v NLE
stop_
save_
save_chem_comp_NLE_1_2_3
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NLE_1_2_3
_Chem_comp.Entry_ID rr_1r9v
_Chem_comp.ID NLE
_Chem_comp.Name NORLEUCINE
_Chem_comp.Type "L-peptide COOH carboxy terminus"
_Chem_comp.PDB_code NLE
_Chem_comp.Std_deriv_one_letter_code L
_Chem_comp.Std_deriv_three_letter_code Leu
_Chem_comp.Std_deriv_PDB_code LEU
_Chem_comp.Std_deriv_chem_comp_name LEUCINE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C6 H12 N O2"
_Chem_comp.Formula_weight 130.1663
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
L-norleucine name rr_1r9v NLE
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1r9v
_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 5
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_1r9v
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . rr_1r9v 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_1r9v 1
stop_
loop_
_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_atom_name
_Atom_site.PDB_ins_code
_Atom_site.PDB_model_num
_Atom_site.PDB_residue_name
_Atom_site.PDB_residue_no
_Atom_site.PDB_strand_id
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_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 NLE C C 29.194 16.876 9.135 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE C . . rr_1r9v 1
1 . 2 . 1 1 1 NLE CA C 29.604 15.535 8.503 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CA . . rr_1r9v 1
1 . 3 . 1 1 1 NLE CB C 29.414 15.569 6.980 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CB . . rr_1r9v 1
1 . 4 . 1 1 1 NLE CD C 29.498 14.247 4.806 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CD . . rr_1r9v 1
1 . 5 . 1 1 1 NLE CE C 28.071 14.548 4.338 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CE . . rr_1r9v 1
1 . 6 . 1 1 1 NLE CG C 29.620 14.191 6.335 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CG . . rr_1r9v 1
1 . 7 . 1 1 1 NLE HN2 H 31.649 15.870 8.449 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HN2 . . rr_1r9v 1
1 . 8 . 1 1 1 NLE HA H 28.939 14.774 8.914 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HA . . rr_1r9v 1
1 . 9 . 1 1 1 NLE HB2 H 28.401 15.911 6.767 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HB2 . . rr_1r9v 1
1 . 10 . 1 1 1 NLE HB3 H 30.121 16.278 6.551 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HB3 . . rr_1r9v 1
1 . 11 . 1 1 1 NLE HD2 H 30.172 15.007 4.410 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HD2 . . rr_1r9v 1
1 . 12 . 1 1 1 NLE HD3 H 29.793 13.277 4.402 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HD3 . . rr_1r9v 1
1 . 13 . 1 1 1 NLE HE1 H 27.374 13.834 4.776 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE1 . . rr_1r9v 1
1 . 14 . 1 1 1 NLE HE2 H 27.781 15.560 4.620 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE2 . . rr_1r9v 1
1 . 15 . 1 1 1 NLE HE3 H 28.026 14.467 3.252 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE3 . . rr_1r9v 1
1 . 16 . 1 1 1 NLE HG2 H 30.618 13.827 6.577 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HG2 . . rr_1r9v 1
1 . 17 . 1 1 1 NLE HG3 H 28.891 13.485 6.734 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HG3 . . rr_1r9v 1
1 . 18 . 1 1 1 NLE N N 31.000 15.157 8.815 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE N . . rr_1r9v 1
1 . 19 . 1 1 1 NLE O O 28.071 17.330 8.925 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE O . . rr_1r9v 1
1 . 20 . 1 1 2 NLE C C 31.174 19.535 10.556 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE C . . rr_1r9v 1
1 . 21 . 1 1 2 NLE CA C 29.845 18.787 10.573 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CA . . rr_1r9v 1
1 . 22 . 1 1 2 NLE CB C 29.365 18.570 12.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CB . . rr_1r9v 1
1 . 23 . 1 1 2 NLE CD C 27.503 17.807 13.527 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CD . . rr_1r9v 1
1 . 24 . 1 1 2 NLE CE C 26.154 17.088 13.596 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CE . . rr_1r9v 1
1 . 25 . 1 1 2 NLE CG C 28.007 17.861 12.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CG . . rr_1r9v 1
1 . 26 . 1 1 2 NLE H H 30.995 17.104 10.036 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE H . . rr_1r9v 1
1 . 27 . 1 1 2 NLE HA H 29.101 19.367 10.024 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HA . . rr_1r9v 1
1 . 28 . 1 1 2 NLE HB2 H 30.105 17.983 12.564 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HB2 . . rr_1r9v 1
1 . 29 . 1 1 2 NLE HB3 H 29.274 19.546 12.494 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HB3 . . rr_1r9v 1
1 . 30 . 1 1 2 NLE HD2 H 28.225 17.271 14.145 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HD2 . . rr_1r9v 1
1 . 31 . 1 1 2 NLE HD3 H 27.387 18.820 13.914 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HD3 . . rr_1r9v 1
1 . 32 . 1 1 2 NLE HE1 H 25.419 17.618 12.990 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE1 . . rr_1r9v 1
1 . 33 . 1 1 2 NLE HE2 H 26.256 16.067 13.227 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE2 . . rr_1r9v 1
1 . 34 . 1 1 2 NLE HE3 H 25.809 17.059 14.630 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE3 . . rr_1r9v 1
1 . 35 . 1 1 2 NLE HG2 H 27.285 18.401 11.466 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HG2 . . rr_1r9v 1
1 . 36 . 1 1 2 NLE HG3 H 28.104 16.842 11.705 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HG3 . . rr_1r9v 1
1 . 37 . 1 1 2 NLE N N 30.080 17.513 9.907 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE N . . rr_1r9v 1
1 . 38 . 1 1 2 NLE O O 32.162 19.032 11.091 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE O . . rr_1r9v 1
1 . 39 . 1 1 3 NLE C C 33.242 20.610 8.626 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE C . . rr_1r9v 1
1 . 40 . 1 1 3 NLE CA C 32.485 21.397 9.697 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CA . . rr_1r9v 1
1 . 41 . 1 1 3 NLE CB C 32.253 22.859 9.309 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CB . . rr_1r9v 1
1 . 42 . 1 1 3 NLE CD C 31.575 25.104 10.169 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CD . . rr_1r9v 1
1 . 43 . 1 1 3 NLE CE C 30.804 25.872 11.245 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CE . . rr_1r9v 1
1 . 44 . 1 1 3 NLE CG C 31.486 23.598 10.411 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CG . . rr_1r9v 1
1 . 45 . 1 1 3 NLE H H 30.381 21.118 9.547 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE H . . rr_1r9v 1
1 . 46 . 1 1 3 NLE HA H 33.074 21.414 10.616 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HA . . rr_1r9v 1
1 . 47 . 1 1 3 NLE HB2 H 33.229 23.327 9.172 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HB2 . . rr_1r9v 1
1 . 48 . 1 1 3 NLE HB3 H 31.702 22.930 8.373 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HB3 . . rr_1r9v 1
1 . 49 . 1 1 3 NLE HD2 H 32.626 25.393 10.201 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HD2 . . rr_1r9v 1
1 . 50 . 1 1 3 NLE HD3 H 31.163 25.346 9.188 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HD3 . . rr_1r9v 1
1 . 51 . 1 1 3 NLE HE1 H 30.890 26.943 11.060 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE1 . . rr_1r9v 1
1 . 52 . 1 1 3 NLE HE2 H 29.751 25.590 11.220 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE2 . . rr_1r9v 1
1 . 53 . 1 1 3 NLE HE3 H 31.214 25.647 12.230 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE3 . . rr_1r9v 1
1 . 54 . 1 1 3 NLE HG2 H 30.441 23.285 10.411 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HG2 . . rr_1r9v 1
1 . 55 . 1 1 3 NLE HG3 H 31.927 23.372 11.383 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HG3 . . rr_1r9v 1
1 . 56 . 1 1 3 NLE N N 31.224 20.708 9.920 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE N . . rr_1r9v 1
1 . 57 . 1 1 3 NLE O O 33.207 20.953 7.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE O . . rr_1r9v 1
1 . 58 . 1 1 4 NLE C C 33.644 17.974 7.222 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE C . . rr_1r9v 1
1 . 59 . 1 1 4 NLE CA C 34.637 18.635 8.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CA . . rr_1r9v 1
1 . 60 . 1 1 4 NLE CB C 35.393 17.589 9.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CB . . rr_1r9v 1
1 . 61 . 1 1 4 NLE CD C 37.232 17.219 10.726 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CD . . rr_1r9v 1
1 . 62 . 1 1 4 NLE CE C 38.058 16.240 9.885 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CE . . rr_1r9v 1
1 . 63 . 1 1 4 NLE CG C 36.477 18.243 9.869 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CG . . rr_1r9v 1
1 . 64 . 1 1 4 NLE H H 33.827 19.302 10.034 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE H . . rr_1r9v 1
1 . 65 . 1 1 4 NLE HA H 35.365 19.205 7.599 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HA . . rr_1r9v 1
1 . 66 . 1 1 4 NLE HB2 H 34.690 17.043 9.634 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HB2 . . rr_1r9v 1
1 . 67 . 1 1 4 NLE HB3 H 35.856 16.888 8.308 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HB3 . . rr_1r9v 1
1 . 68 . 1 1 4 NLE HD2 H 37.913 17.761 11.385 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HD2 . . rr_1r9v 1
1 . 69 . 1 1 4 NLE HD3 H 36.526 16.663 11.343 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HD3 . . rr_1r9v 1
1 . 70 . 1 1 4 NLE HE1 H 38.665 15.623 10.549 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE1 . . rr_1r9v 1
1 . 71 . 1 1 4 NLE HE2 H 37.408 15.586 9.305 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE2 . . rr_1r9v 1
1 . 72 . 1 1 4 NLE HE3 H 38.718 16.788 9.212 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE3 . . rr_1r9v 1
1 . 73 . 1 1 4 NLE HG2 H 37.186 18.773 9.232 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HG2 . . rr_1r9v 1
1 . 74 . 1 1 4 NLE HG3 H 36.014 18.965 10.544 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HG3 . . rr_1r9v 1
1 . 75 . 1 1 4 NLE N N 33.898 19.530 9.048 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE N . . rr_1r9v 1
1 . 76 . 1 1 4 NLE O O 32.719 17.295 7.666 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE O . . rr_1r9v 1
1 . 77 . 1 1 5 NLE C C 31.577 18.237 4.894 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE C . . rr_1r9v 1
1 . 78 . 1 1 5 NLE CA C 32.998 17.660 4.858 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CA . . rr_1r9v 1
1 . 79 . 1 1 5 NLE CB C 33.025 16.123 4.825 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CB . . rr_1r9v 1
1 . 80 . 1 1 5 NLE CD C 34.526 14.096 4.455 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CD . . rr_1r9v 1
1 . 81 . 1 1 5 NLE CE C 33.757 13.215 5.443 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CE . . rr_1r9v 1
1 . 82 . 1 1 5 NLE CG C 34.462 15.581 4.831 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CG . . rr_1r9v 1
1 . 83 . 1 1 5 NLE H H 34.588 18.804 5.620 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE H . . rr_1r9v 1
1 . 84 . 1 1 5 NLE HA H 33.444 18.014 3.934 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HA . . rr_1r9v 1
1 . 85 . 1 1 5 NLE HB2 H 32.477 15.724 5.679 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HB2 . . rr_1r9v 1
1 . 86 . 1 1 5 NLE HB3 H 32.526 15.792 3.914 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HB3 . . rr_1r9v 1
1 . 87 . 1 1 5 NLE HD2 H 34.122 13.951 3.452 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HD2 . . rr_1r9v 1
1 . 88 . 1 1 5 NLE HD3 H 35.572 13.786 4.454 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HD3 . . rr_1r9v 1
1 . 89 . 1 1 5 NLE HE1 H 32.688 13.413 5.373 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE1 . . rr_1r9v 1
1 . 90 . 1 1 5 NLE HE2 H 33.932 12.166 5.202 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE2 . . rr_1r9v 1
1 . 91 . 1 1 5 NLE HE3 H 34.096 13.408 6.461 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE3 . . rr_1r9v 1
1 . 92 . 1 1 5 NLE HG2 H 35.058 16.138 4.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HG2 . . rr_1r9v 1
1 . 93 . 1 1 5 NLE HG3 H 34.900 15.715 5.820 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HG3 . . rr_1r9v 1
1 . 94 . 1 1 5 NLE N N 33.832 18.194 5.921 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE N . . rr_1r9v 1
1 . 95 . 1 1 5 NLE O O 30.667 17.668 4.296 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE O . . rr_1r9v 1
1 . 96 . 1 1 6 NLE C C 30.492 21.576 5.770 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE C . . rr_1r9v 1
1 . 97 . 1 1 6 NLE CA C 30.128 20.102 5.603 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CA . . rr_1r9v 1
1 . 98 . 1 1 6 NLE CB C 29.238 19.546 6.726 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CB . . rr_1r9v 1
1 . 99 . 1 1 6 NLE CD C 27.017 19.953 5.461 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CD . . rr_1r9v 1
1 . 100 . 1 1 6 NLE CE C 26.948 18.498 4.989 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CE . . rr_1r9v 1
1 . 101 . 1 1 6 NLE CG C 27.807 20.109 6.769 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CG . . rr_1r9v 1
1 . 102 . 1 1 6 NLE H H 32.168 19.777 6.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE H . . rr_1r9v 1
1 . 103 . 1 1 6 NLE HA H 29.631 19.978 4.641 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HA . . rr_1r9v 1
1 . 104 . 1 1 6 NLE HB2 H 29.168 18.467 6.609 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HB2 . . rr_1r9v 1
1 . 105 . 1 1 6 NLE HB3 H 29.720 19.744 7.682 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HB3 . . rr_1r9v 1
1 . 106 . 1 1 6 NLE HD2 H 26.000 20.304 5.640 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HD2 . . rr_1r9v 1
1 . 107 . 1 1 6 NLE HD3 H 27.452 20.573 4.677 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HD3 . . rr_1r9v 1
1 . 108 . 1 1 6 NLE HE1 H 27.933 18.148 4.679 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE1 . . rr_1r9v 1
1 . 109 . 1 1 6 NLE HE2 H 26.574 17.863 5.793 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE2 . . rr_1r9v 1
1 . 110 . 1 1 6 NLE HE3 H 26.272 18.427 4.136 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE3 . . rr_1r9v 1
1 . 111 . 1 1 6 NLE HG2 H 27.268 19.584 7.559 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HG2 . . rr_1r9v 1
1 . 112 . 1 1 6 NLE HG3 H 27.829 21.165 7.034 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HG3 . . rr_1r9v 1
1 . 113 . 1 1 6 NLE N N 31.387 19.371 5.574 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE N . . rr_1r9v 1
2 . 114 . 1 1 1 NLE C C 29.410 16.715 9.212 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE C . . rr_1r9v 1
2 . 115 . 1 1 1 NLE CA C 29.889 15.389 8.587 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CA . . rr_1r9v 1
2 . 116 . 1 1 1 NLE CB C 29.745 15.349 7.056 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CB . . rr_1r9v 1
2 . 117 . 1 1 1 NLE CD C 28.227 15.098 5.060 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CD . . rr_1r9v 1
2 . 118 . 1 1 1 NLE CE C 26.774 15.026 4.585 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CE . . rr_1r9v 1
2 . 119 . 1 1 1 NLE CG C 28.287 15.290 6.579 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CG . . rr_1r9v 1
2 . 120 . 1 1 1 NLE HN2 H 31.912 15.833 8.525 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HN2 . . rr_1r9v 1
2 . 121 . 1 1 1 NLE HA H 29.276 14.592 9.009 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HA . . rr_1r9v 1
2 . 122 . 1 1 1 NLE HB2 H 30.242 16.217 6.624 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HB2 . . rr_1r9v 1
2 . 123 . 1 1 1 NLE HB3 H 30.247 14.451 6.690 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HB3 . . rr_1r9v 1
2 . 124 . 1 1 1 NLE HD2 H 28.719 15.937 4.567 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HD2 . . rr_1r9v 1
2 . 125 . 1 1 1 NLE HD3 H 28.739 14.175 4.784 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HD3 . . rr_1r9v 1
2 . 126 . 1 1 1 NLE HE1 H 26.270 14.181 5.056 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE1 . . rr_1r9v 1
2 . 127 . 1 1 1 NLE HE2 H 26.251 15.947 4.844 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE2 . . rr_1r9v 1
2 . 128 . 1 1 1 NLE HE3 H 26.752 14.896 3.503 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE3 . . rr_1r9v 1
2 . 129 . 1 1 1 NLE HG2 H 27.780 14.455 7.065 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HG2 . . rr_1r9v 1
2 . 130 . 1 1 1 NLE HG3 H 27.767 16.214 6.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HG3 . . rr_1r9v 1
2 . 131 . 1 1 1 NLE N N 31.302 15.096 8.909 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE N . . rr_1r9v 1
2 . 132 . 1 1 1 NLE O O 28.242 17.072 9.083 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE O . . rr_1r9v 1
2 . 133 . 1 1 2 NLE C C 31.266 19.526 10.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE C . . rr_1r9v 1
2 . 134 . 1 1 2 NLE CA C 29.991 18.691 10.595 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CA . . rr_1r9v 1
2 . 135 . 1 1 2 NLE CB C 29.572 18.432 12.050 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CB . . rr_1r9v 1
2 . 136 . 1 1 2 NLE CD C 27.809 17.571 13.626 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CD . . rr_1r9v 1
2 . 137 . 1 1 2 NLE CE C 26.507 16.775 13.743 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CE . . rr_1r9v 1
2 . 138 . 1 1 2 NLE CG C 28.259 17.647 12.163 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CG . . rr_1r9v 1
2 . 139 . 1 1 2 NLE H H 31.248 17.121 9.962 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE H . . rr_1r9v 1
2 . 140 . 1 1 2 NLE HA H 29.193 19.224 10.074 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HA . . rr_1r9v 1
2 . 141 . 1 1 2 NLE HB2 H 30.363 17.887 12.568 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HB2 . . rr_1r9v 1
2 . 142 . 1 1 2 NLE HB3 H 29.442 19.399 12.541 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HB3 . . rr_1r9v 1
2 . 143 . 1 1 2 NLE HD2 H 28.582 17.082 14.221 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HD2 . . rr_1r9v 1
2 . 144 . 1 1 2 NLE HD3 H 27.646 18.578 14.013 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HD3 . . rr_1r9v 1
2 . 145 . 1 1 2 NLE HE1 H 26.200 16.731 14.788 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE1 . . rr_1r9v 1
2 . 146 . 1 1 2 NLE HE2 H 25.722 17.258 13.160 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE2 . . rr_1r9v 1
2 . 147 . 1 1 2 NLE HE3 H 26.657 15.760 13.374 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE3 . . rr_1r9v 1
2 . 148 . 1 1 2 NLE HG2 H 27.487 18.141 11.573 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HG2 . . rr_1r9v 1
2 . 149 . 1 1 2 NLE HG3 H 28.403 16.634 11.788 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HG3 . . rr_1r9v 1
2 . 150 . 1 1 2 NLE N N 30.291 17.441 9.908 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE N . . rr_1r9v 1
2 . 151 . 1 1 2 NLE O O 32.288 19.100 11.091 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE O . . rr_1r9v 1
2 . 152 . 1 1 3 NLE C C 33.234 20.689 8.582 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE C . . rr_1r9v 1
2 . 153 . 1 1 3 NLE CA C 32.448 21.453 9.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CA . . rr_1r9v 1
2 . 154 . 1 1 3 NLE CB C 32.118 22.893 9.230 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CB . . rr_1r9v 1
2 . 155 . 1 1 3 NLE CD C 31.862 23.752 11.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CD . . rr_1r9v 1
2 . 156 . 1 1 3 NLE CE C 31.010 24.645 12.526 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CE . . rr_1r9v 1
2 . 157 . 1 1 3 NLE CG C 31.225 23.641 10.231 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CG . . rr_1r9v 1
2 . 158 . 1 1 3 NLE H H 30.365 21.036 9.523 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE H . . rr_1r9v 1
2 . 159 . 1 1 3 NLE HA H 33.056 21.496 10.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HA . . rr_1r9v 1
2 . 160 . 1 1 3 NLE HB2 H 33.053 23.443 9.111 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HB2 . . rr_1r9v 1
2 . 161 . 1 1 3 NLE HB3 H 31.610 22.886 8.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HB3 . . rr_1r9v 1
2 . 162 . 1 1 3 NLE HD2 H 31.933 22.766 12.080 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HD2 . . rr_1r9v 1
2 . 163 . 1 1 3 NLE HD3 H 32.861 24.182 11.535 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HD3 . . rr_1r9v 1
2 . 164 . 1 1 3 NLE HE1 H 31.470 24.707 13.513 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE1 . . rr_1r9v 1
2 . 165 . 1 1 3 NLE HE2 H 30.940 25.648 12.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE2 . . rr_1r9v 1
2 . 166 . 1 1 3 NLE HE3 H 30.008 24.226 12.626 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE3 . . rr_1r9v 1
2 . 167 . 1 1 3 NLE HG2 H 31.058 24.646 9.841 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HG2 . . rr_1r9v 1
2 . 168 . 1 1 3 NLE HG3 H 30.257 23.145 10.312 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HG3 . . rr_1r9v 1
2 . 169 . 1 1 3 NLE N N 31.235 20.688 9.897 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE N . . rr_1r9v 1
2 . 170 . 1 1 3 NLE O O 33.162 21.002 7.395 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE O . . rr_1r9v 1
2 . 171 . 1 1 4 NLE C C 33.732 18.045 7.239 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE C . . rr_1r9v 1
2 . 172 . 1 1 4 NLE CA C 34.716 18.774 8.151 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CA . . rr_1r9v 1
2 . 173 . 1 1 4 NLE CB C 35.533 17.782 8.988 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CB . . rr_1r9v 1
2 . 174 . 1 1 4 NLE CD C 37.418 17.537 10.685 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CD . . rr_1r9v 1
2 . 175 . 1 1 4 NLE CE C 38.256 16.557 9.859 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CE . . rr_1r9v 1
2 . 176 . 1 1 4 NLE CG C 36.608 18.504 9.812 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CG . . rr_1r9v 1
2 . 177 . 1 1 4 NLE H H 33.920 19.453 10.009 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE H . . rr_1r9v 1
2 . 178 . 1 1 4 NLE HA H 35.407 19.357 7.544 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HA . . rr_1r9v 1
2 . 179 . 1 1 4 NLE HB2 H 34.867 17.226 9.650 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HB2 . . rr_1r9v 1
2 . 180 . 1 1 4 NLE HB3 H 36.010 17.082 8.303 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HB3 . . rr_1r9v 1
2 . 181 . 1 1 4 NLE HD2 H 38.094 18.125 11.308 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HD2 . . rr_1r9v 1
2 . 182 . 1 1 4 NLE HD3 H 36.745 16.979 11.339 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HD3 . . rr_1r9v 1
2 . 183 . 1 1 4 NLE HE1 H 38.878 17.103 9.148 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE1 . . rr_1r9v 1
2 . 184 . 1 1 4 NLE HE2 H 38.902 15.987 10.528 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE2 . . rr_1r9v 1
2 . 185 . 1 1 4 NLE HE3 H 37.616 15.859 9.321 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE3 . . rr_1r9v 1
2 . 186 . 1 1 4 NLE HG2 H 37.284 19.040 9.145 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HG2 . . rr_1r9v 1
2 . 187 . 1 1 4 NLE HG3 H 36.131 19.229 10.473 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HG3 . . rr_1r9v 1
2 . 188 . 1 1 4 NLE N N 33.956 19.657 9.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE N . . rr_1r9v 1
2 . 189 . 1 1 4 NLE O O 32.840 17.350 7.723 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE O . . rr_1r9v 1
2 . 190 . 1 1 5 NLE C C 31.627 18.168 4.922 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE C . . rr_1r9v 1
2 . 191 . 1 1 5 NLE CA C 33.062 17.631 4.895 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CA . . rr_1r9v 1
2 . 192 . 1 1 5 NLE CB C 33.125 16.094 4.925 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CB . . rr_1r9v 1
2 . 193 . 1 1 5 NLE CD C 34.598 14.060 4.755 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CD . . rr_1r9v 1
2 . 194 . 1 1 5 NLE CE C 36.042 13.553 4.748 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CE . . rr_1r9v 1
2 . 195 . 1 1 5 NLE CG C 34.571 15.583 4.908 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CG . . rr_1r9v 1
2 . 196 . 1 1 5 NLE H H 34.617 18.858 5.595 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE H . . rr_1r9v 1
2 . 197 . 1 1 5 NLE HA H 33.496 17.958 3.954 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HA . . rr_1r9v 1
2 . 198 . 1 1 5 NLE HB2 H 32.614 15.710 5.808 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HB2 . . rr_1r9v 1
2 . 199 . 1 1 5 NLE HB3 H 32.606 15.712 4.044 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HB3 . . rr_1r9v 1
2 . 200 . 1 1 5 NLE HD2 H 34.061 13.600 5.586 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HD2 . . rr_1r9v 1
2 . 201 . 1 1 5 NLE HD3 H 34.116 13.775 3.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HD3 . . rr_1r9v 1
2 . 202 . 1 1 5 NLE HE1 H 36.046 12.468 4.638 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE1 . . rr_1r9v 1
2 . 203 . 1 1 5 NLE HE2 H 36.590 13.997 3.916 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE2 . . rr_1r9v 1
2 . 204 . 1 1 5 NLE HE3 H 36.535 13.817 5.685 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE3 . . rr_1r9v 1
2 . 205 . 1 1 5 NLE HG2 H 35.109 16.037 4.077 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HG2 . . rr_1r9v 1
2 . 206 . 1 1 5 NLE HG3 H 35.064 15.849 5.843 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HG3 . . rr_1r9v 1
2 . 207 . 1 1 5 NLE N N 33.890 18.229 5.929 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE N . . rr_1r9v 1
2 . 208 . 1 1 5 NLE O O 30.736 17.562 4.332 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE O . . rr_1r9v 1
2 . 209 . 1 1 6 NLE C C 30.398 21.471 5.735 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE C . . rr_1r9v 1
2 . 210 . 1 1 6 NLE CA C 30.106 19.978 5.611 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CA . . rr_1r9v 1
2 . 211 . 1 1 6 NLE CB C 29.258 19.407 6.760 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CB . . rr_1r9v 1
2 . 212 . 1 1 6 NLE CD C 27.029 19.463 5.520 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CD . . rr_1r9v 1
2 . 213 . 1 1 6 NLE CE C 25.532 19.728 5.694 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CE . . rr_1r9v 1
2 . 214 . 1 1 6 NLE CG C 27.793 19.870 6.786 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CG . . rr_1r9v 1
2 . 215 . 1 1 6 NLE H H 32.165 19.754 6.075 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE H . . rr_1r9v 1
2 . 216 . 1 1 6 NLE HA H 29.602 19.811 4.660 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HA . . rr_1r9v 1
2 . 217 . 1 1 6 NLE HB2 H 29.250 18.322 6.674 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HB2 . . rr_1r9v 1
2 . 218 . 1 1 6 NLE HB3 H 29.729 19.668 7.706 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HB3 . . rr_1r9v 1
2 . 219 . 1 1 6 NLE HD2 H 27.382 20.041 4.666 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HD2 . . rr_1r9v 1
2 . 220 . 1 1 6 NLE HD3 H 27.182 18.401 5.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HD3 . . rr_1r9v 1
2 . 221 . 1 1 6 NLE HE1 H 25.005 19.445 4.782 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE1 . . rr_1r9v 1
2 . 222 . 1 1 6 NLE HE2 H 25.143 19.139 6.526 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE2 . . rr_1r9v 1
2 . 223 . 1 1 6 NLE HE3 H 25.362 20.787 5.890 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE3 . . rr_1r9v 1
2 . 224 . 1 1 6 NLE HG2 H 27.318 19.396 7.646 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HG2 . . rr_1r9v 1
2 . 225 . 1 1 6 NLE HG3 H 27.731 20.951 6.917 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HG3 . . rr_1r9v 1
2 . 226 . 1 1 6 NLE N N 31.397 19.306 5.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE N . . rr_1r9v 1
3 . 227 . 1 1 1 NLE C C 28.645 17.312 9.375 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE C . . rr_1r9v 1
3 . 228 . 1 1 1 NLE CA C 28.768 15.839 8.966 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CA . . rr_1r9v 1
3 . 229 . 1 1 1 NLE CB C 29.209 15.751 7.500 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CB . . rr_1r9v 1
3 . 230 . 1 1 1 NLE CD C 29.555 14.373 5.448 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CD . . rr_1r9v 1
3 . 231 . 1 1 1 NLE CE C 29.417 12.988 4.813 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CE . . rr_1r9v 1
3 . 232 . 1 1 1 NLE CG C 29.188 14.327 6.935 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CG . . rr_1r9v 1
3 . 233 . 1 1 1 NLE HN2 H 29.395 15.143 10.811 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HN2 . . rr_1r9v 1
3 . 234 . 1 1 1 NLE HA H 27.781 15.385 9.061 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HA . . rr_1r9v 1
3 . 235 . 1 1 1 NLE HB2 H 28.507 16.344 6.914 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HB2 . . rr_1r9v 1
3 . 236 . 1 1 1 NLE HB3 H 30.209 16.177 7.391 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HB3 . . rr_1r9v 1
3 . 237 . 1 1 1 NLE HD2 H 28.908 15.081 4.924 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HD2 . . rr_1r9v 1
3 . 238 . 1 1 1 NLE HD3 H 30.585 14.709 5.343 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HD3 . . rr_1r9v 1
3 . 239 . 1 1 1 NLE HE1 H 28.385 12.644 4.889 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE1 . . rr_1r9v 1
3 . 240 . 1 1 1 NLE HE2 H 29.698 13.041 3.761 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE2 . . rr_1r9v 1
3 . 241 . 1 1 1 NLE HE3 H 30.072 12.279 5.322 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE3 . . rr_1r9v 1
3 . 242 . 1 1 1 NLE HG2 H 29.907 13.700 7.464 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HG2 . . rr_1r9v 1
3 . 243 . 1 1 1 NLE HG3 H 28.188 13.908 7.052 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HG3 . . rr_1r9v 1
3 . 244 . 1 1 1 NLE N N 29.714 15.109 9.836 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE N . . rr_1r9v 1
3 . 245 . 1 1 1 NLE O O 27.602 17.922 9.156 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE O . . rr_1r9v 1
3 . 246 . 1 1 2 NLE C C 31.279 19.678 10.210 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE C . . rr_1r9v 1
3 . 247 . 1 1 2 NLE CA C 29.808 19.286 10.324 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CA . . rr_1r9v 1
3 . 248 . 1 1 2 NLE CB C 29.324 19.508 11.766 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CB . . rr_1r9v 1
3 . 249 . 1 1 2 NLE CD C 27.385 19.611 13.365 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CD . . rr_1r9v 1
3 . 250 . 1 1 2 NLE CE C 25.902 19.291 13.565 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CE . . rr_1r9v 1
3 . 251 . 1 1 2 NLE CG C 27.835 19.199 11.959 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CG . . rr_1r9v 1
3 . 252 . 1 1 2 NLE H H 30.521 17.305 10.121 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE H . . rr_1r9v 1
3 . 253 . 1 1 2 NLE HA H 29.217 19.901 9.642 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HA . . rr_1r9v 1
3 . 254 . 1 1 2 NLE HB2 H 29.911 18.888 12.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HB2 . . rr_1r9v 1
3 . 255 . 1 1 2 NLE HB3 H 29.497 20.555 12.019 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HB3 . . rr_1r9v 1
3 . 256 . 1 1 2 NLE HD2 H 27.971 19.071 14.109 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HD2 . . rr_1r9v 1
3 . 257 . 1 1 2 NLE HD3 H 27.539 20.683 13.500 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HD3 . . rr_1r9v 1
3 . 258 . 1 1 2 NLE HE1 H 25.597 19.591 14.568 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE1 . . rr_1r9v 1
3 . 259 . 1 1 2 NLE HE2 H 25.302 19.832 12.833 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE2 . . rr_1r9v 1
3 . 260 . 1 1 2 NLE HE3 H 25.733 18.220 13.448 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE3 . . rr_1r9v 1
3 . 261 . 1 1 2 NLE HG2 H 27.251 19.745 11.218 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HG2 . . rr_1r9v 1
3 . 262 . 1 1 2 NLE HG3 H 27.662 18.130 11.836 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HG3 . . rr_1r9v 1
3 . 263 . 1 1 2 NLE N N 29.707 17.882 9.949 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE N . . rr_1r9v 1
3 . 264 . 1 1 2 NLE O O 32.130 19.005 10.790 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE O . . rr_1r9v 1
3 . 265 . 1 1 3 NLE C C 33.673 20.297 8.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE C . . rr_1r9v 1
3 . 266 . 1 1 3 NLE CA C 32.977 21.196 9.376 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CA . . rr_1r9v 1
3 . 267 . 1 1 3 NLE CB C 33.049 22.681 8.999 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CB . . rr_1r9v 1
3 . 268 . 1 1 3 NLE CD C 32.521 23.492 11.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CD . . rr_1r9v 1
3 . 269 . 1 1 3 NLE CE C 33.974 23.858 11.709 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CE . . rr_1r9v 1
3 . 270 . 1 1 3 NLE CG C 32.199 23.595 9.896 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CG . . rr_1r9v 1
3 . 271 . 1 1 3 NLE H H 30.894 21.255 8.953 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE H . . rr_1r9v 1
3 . 272 . 1 1 3 NLE HA H 33.476 21.083 10.339 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HA . . rr_1r9v 1
3 . 273 . 1 1 3 NLE HB2 H 34.089 23.000 9.042 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HB2 . . rr_1r9v 1
3 . 274 . 1 1 3 NLE HB3 H 32.709 22.805 7.975 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HB3 . . rr_1r9v 1
3 . 275 . 1 1 3 NLE HD2 H 31.871 24.187 11.927 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HD2 . . rr_1r9v 1
3 . 276 . 1 1 3 NLE HD3 H 32.307 22.487 11.759 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HD3 . . rr_1r9v 1
3 . 277 . 1 1 3 NLE HE1 H 34.115 23.867 12.790 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE1 . . rr_1r9v 1
3 . 278 . 1 1 3 NLE HE2 H 34.659 23.128 11.277 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE2 . . rr_1r9v 1
3 . 279 . 1 1 3 NLE HE3 H 34.202 24.848 11.314 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE3 . . rr_1r9v 1
3 . 280 . 1 1 3 NLE HG2 H 32.355 24.627 9.577 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HG2 . . rr_1r9v 1
3 . 281 . 1 1 3 NLE HG3 H 31.144 23.360 9.751 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HG3 . . rr_1r9v 1
3 . 282 . 1 1 3 NLE N N 31.599 20.746 9.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE N . . rr_1r9v 1
3 . 283 . 1 1 3 NLE O O 33.567 20.513 7.151 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE O . . rr_1r9v 1
3 . 284 . 1 1 4 NLE C C 34.053 17.629 7.095 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE C . . rr_1r9v 1
3 . 285 . 1 1 4 NLE CA C 35.073 18.323 7.998 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CA . . rr_1r9v 1
3 . 286 . 1 1 4 NLE CB C 35.841 17.308 8.853 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CB . . rr_1r9v 1
3 . 287 . 1 1 4 NLE CD C 37.715 16.995 10.551 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CD . . rr_1r9v 1
3 . 288 . 1 1 4 NLE CE C 38.490 15.945 9.748 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CE . . rr_1r9v 1
3 . 289 . 1 1 4 NLE CG C 36.960 17.986 9.656 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CG . . rr_1r9v 1
3 . 290 . 1 1 4 NLE H H 34.370 19.125 9.845 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE H . . rr_1r9v 1
3 . 291 . 1 1 4 NLE HA H 35.792 18.866 7.381 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HA . . rr_1r9v 1
3 . 292 . 1 1 4 NLE HB2 H 35.149 16.804 9.531 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HB2 . . rr_1r9v 1
3 . 293 . 1 1 4 NLE HB3 H 36.273 16.567 8.182 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HB3 . . rr_1r9v 1
3 . 294 . 1 1 4 NLE HD2 H 38.428 17.556 11.157 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HD2 . . rr_1r9v 1
3 . 295 . 1 1 4 NLE HD3 H 37.013 16.495 11.220 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HD3 . . rr_1r9v 1
3 . 296 . 1 1 4 NLE HE1 H 39.102 15.353 10.429 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE1 . . rr_1r9v 1
3 . 297 . 1 1 4 NLE HE2 H 37.806 15.275 9.228 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE2 . . rr_1r9v 1
3 . 298 . 1 1 4 NLE HE3 H 39.142 16.434 9.023 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE3 . . rr_1r9v 1
3 . 299 . 1 1 4 NLE HG2 H 37.664 18.462 8.972 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HG2 . . rr_1r9v 1
3 . 300 . 1 1 4 NLE HG3 H 36.531 18.755 10.299 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HG3 . . rr_1r9v 1
3 . 301 . 1 1 4 NLE N N 34.367 19.268 8.845 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE N . . rr_1r9v 1
3 . 302 . 1 1 4 NLE O O 33.199 16.891 7.580 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE O . . rr_1r9v 1
3 . 303 . 1 1 5 NLE C C 31.837 17.931 4.884 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE C . . rr_1r9v 1
3 . 304 . 1 1 5 NLE CA C 33.246 17.338 4.779 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CA . . rr_1r9v 1
3 . 305 . 1 1 5 NLE CB C 33.267 15.801 4.746 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CB . . rr_1r9v 1
3 . 306 . 1 1 5 NLE CD C 34.662 13.738 4.383 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CD . . rr_1r9v 1
3 . 307 . 1 1 5 NLE CE C 36.087 13.191 4.264 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CE . . rr_1r9v 1
3 . 308 . 1 1 5 NLE CG C 34.693 15.252 4.614 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CG . . rr_1r9v 1
3 . 309 . 1 1 5 NLE H H 34.835 18.545 5.455 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE H . . rr_1r9v 1
3 . 310 . 1 1 5 NLE HA H 33.638 17.680 3.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HA . . rr_1r9v 1
3 . 311 . 1 1 5 NLE HB2 H 32.806 15.392 5.645 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HB2 . . rr_1r9v 1
3 . 312 . 1 1 5 NLE HB3 H 32.683 15.471 3.885 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HB3 . . rr_1r9v 1
3 . 313 . 1 1 5 NLE HD2 H 34.160 13.251 5.221 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HD2 . . rr_1r9v 1
3 . 314 . 1 1 5 NLE HD3 H 34.117 13.517 3.464 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HD3 . . rr_1r9v 1
3 . 315 . 1 1 5 NLE HE1 H 36.049 12.114 4.100 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE1 . . rr_1r9v 1
3 . 316 . 1 1 5 NLE HE2 H 36.598 13.661 3.424 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE2 . . rr_1r9v 1
3 . 317 . 1 1 5 NLE HE3 H 36.641 13.392 5.181 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE3 . . rr_1r9v 1
3 . 318 . 1 1 5 NLE HG2 H 35.195 15.733 3.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HG2 . . rr_1r9v 1
3 . 319 . 1 1 5 NLE HG3 H 35.246 15.455 5.530 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HG3 . . rr_1r9v 1
3 . 320 . 1 1 5 NLE N N 34.136 17.887 5.790 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE N . . rr_1r9v 1
3 . 321 . 1 1 5 NLE O O 30.879 17.333 4.401 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE O . . rr_1r9v 1
3 . 322 . 1 1 6 NLE C C 30.865 21.328 5.936 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE C . . rr_1r9v 1
3 . 323 . 1 1 6 NLE CA C 30.494 19.909 5.506 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CA . . rr_1r9v 1
3 . 324 . 1 1 6 NLE CB C 29.435 19.258 6.411 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CB . . rr_1r9v 1
3 . 325 . 1 1 6 NLE CD C 27.489 20.249 5.079 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CD . . rr_1r9v 1
3 . 326 . 1 1 6 NLE CE C 26.066 20.799 5.201 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CE . . rr_1r9v 1
3 . 327 . 1 1 6 NLE CG C 28.088 19.999 6.468 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CG . . rr_1r9v 1
3 . 328 . 1 1 6 NLE H H 32.539 19.526 5.916 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE H . . rr_1r9v 1
3 . 329 . 1 1 6 NLE HA H 30.102 19.934 4.489 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HA . . rr_1r9v 1
3 . 330 . 1 1 6 NLE HB2 H 29.230 18.261 6.032 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HB2 . . rr_1r9v 1
3 . 331 . 1 1 6 NLE HB3 H 29.838 19.168 7.418 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HB3 . . rr_1r9v 1
3 . 332 . 1 1 6 NLE HD2 H 28.089 20.982 4.541 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HD2 . . rr_1r9v 1
3 . 333 . 1 1 6 NLE HD3 H 27.464 19.315 4.515 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HD3 . . rr_1r9v 1
3 . 334 . 1 1 6 NLE HE1 H 25.431 20.079 5.717 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE1 . . rr_1r9v 1
3 . 335 . 1 1 6 NLE HE2 H 26.077 21.736 5.759 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE2 . . rr_1r9v 1
3 . 336 . 1 1 6 NLE HE3 H 25.660 20.981 4.205 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE3 . . rr_1r9v 1
3 . 337 . 1 1 6 NLE HG2 H 27.393 19.381 7.036 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HG2 . . rr_1r9v 1
3 . 338 . 1 1 6 NLE HG3 H 28.190 20.949 6.992 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HG3 . . rr_1r9v 1
3 . 339 . 1 1 6 NLE N N 31.717 19.121 5.478 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE N . . rr_1r9v 1
4 . 340 . 1 1 1 NLE C C 28.465 17.137 9.901 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE C . . rr_1r9v 1
4 . 341 . 1 1 1 NLE CA C 28.583 15.617 10.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CA . . rr_1r9v 1
4 . 342 . 1 1 1 NLE CB C 29.521 15.022 8.993 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CB . . rr_1r9v 1
4 . 343 . 1 1 1 NLE CD C 29.912 14.625 6.542 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CD . . rr_1r9v 1
4 . 344 . 1 1 1 NLE CE C 29.280 14.623 5.149 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CE . . rr_1r9v 1
4 . 345 . 1 1 1 NLE CG C 28.897 15.082 7.593 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CG . . rr_1r9v 1
4 . 346 . 1 1 1 NLE HN2 H 28.467 15.642 12.119 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HN2 . . rr_1r9v 1
4 . 347 . 1 1 1 NLE HA H 27.591 15.176 9.941 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HA . . rr_1r9v 1
4 . 348 . 1 1 1 NLE HB2 H 30.466 15.568 8.997 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HB2 . . rr_1r9v 1
4 . 349 . 1 1 1 NLE HB3 H 29.722 13.976 9.232 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HB3 . . rr_1r9v 1
4 . 350 . 1 1 1 NLE HD2 H 30.763 15.308 6.546 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HD2 . . rr_1r9v 1
4 . 351 . 1 1 1 NLE HD3 H 30.263 13.619 6.778 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HD3 . . rr_1r9v 1
4 . 352 . 1 1 1 NLE HE1 H 28.914 15.620 4.903 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE1 . . rr_1r9v 1
4 . 353 . 1 1 1 NLE HE2 H 30.027 14.330 4.411 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE2 . . rr_1r9v 1
4 . 354 . 1 1 1 NLE HE3 H 28.449 13.917 5.117 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE3 . . rr_1r9v 1
4 . 355 . 1 1 1 NLE HG2 H 28.020 14.434 7.561 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HG2 . . rr_1r9v 1
4 . 356 . 1 1 1 NLE HG3 H 28.590 16.102 7.360 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HG3 . . rr_1r9v 1
4 . 357 . 1 1 1 NLE N N 29.098 15.277 11.396 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE N . . rr_1r9v 1
4 . 358 . 1 1 1 NLE O O 27.485 17.636 9.354 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE O . . rr_1r9v 1
4 . 359 . 1 1 2 NLE C C 31.115 19.589 10.159 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE C . . rr_1r9v 1
4 . 360 . 1 1 2 NLE CA C 29.620 19.305 10.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CA . . rr_1r9v 1
4 . 361 . 1 1 2 NLE CB C 29.053 20.001 11.525 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CB . . rr_1r9v 1
4 . 362 . 1 1 2 NLE CD C 27.007 20.631 12.846 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CD . . rr_1r9v 1
4 . 363 . 1 1 2 NLE CE C 25.503 20.407 13.018 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CE . . rr_1r9v 1
4 . 364 . 1 1 2 NLE CG C 27.543 19.786 11.687 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CG . . rr_1r9v 1
4 . 365 . 1 1 2 NLE H H 30.235 17.373 10.842 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE H . . rr_1r9v 1
4 . 366 . 1 1 2 NLE HA H 29.104 19.676 9.392 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HA . . rr_1r9v 1
4 . 367 . 1 1 2 NLE HB2 H 29.568 19.632 12.414 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HB2 . . rr_1r9v 1
4 . 368 . 1 1 2 NLE HB3 H 29.246 21.071 11.433 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HB3 . . rr_1r9v 1
4 . 369 . 1 1 2 NLE HD2 H 27.517 20.351 13.769 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HD2 . . rr_1r9v 1
4 . 370 . 1 1 2 NLE HD3 H 27.189 21.688 12.646 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HD3 . . rr_1r9v 1
4 . 371 . 1 1 2 NLE HE1 H 25.136 21.016 13.845 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE1 . . rr_1r9v 1
4 . 372 . 1 1 2 NLE HE2 H 24.977 20.692 12.106 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE2 . . rr_1r9v 1
4 . 373 . 1 1 2 NLE HE3 H 25.304 19.357 13.235 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE3 . . rr_1r9v 1
4 . 374 . 1 1 2 NLE HG2 H 27.035 20.072 10.764 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HG2 . . rr_1r9v 1
4 . 375 . 1 1 2 NLE HG3 H 27.341 18.735 11.894 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HG3 . . rr_1r9v 1
4 . 376 . 1 1 2 NLE N N 29.477 17.862 10.382 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE N . . rr_1r9v 1
4 . 377 . 1 1 2 NLE O O 31.920 18.876 10.761 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE O . . rr_1r9v 1
4 . 378 . 1 1 3 NLE C C 33.569 20.076 8.277 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE C . . rr_1r9v 1
4 . 379 . 1 1 3 NLE CA C 32.902 20.991 9.302 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CA . . rr_1r9v 1
4 . 380 . 1 1 3 NLE CB C 33.039 22.476 8.943 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CB . . rr_1r9v 1
4 . 381 . 1 1 3 NLE CD C 32.557 23.276 11.352 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CD . . rr_1r9v 1
4 . 382 . 1 1 3 NLE CE C 34.027 23.568 11.668 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CE . . rr_1r9v 1
4 . 383 . 1 1 3 NLE CG C 32.238 23.416 9.857 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CG . . rr_1r9v 1
4 . 384 . 1 1 3 NLE H H 30.829 21.140 8.853 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE H . . rr_1r9v 1
4 . 385 . 1 1 3 NLE HA H 33.396 20.847 10.264 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HA . . rr_1r9v 1
4 . 386 . 1 1 3 NLE HB2 H 34.093 22.745 8.981 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HB2 . . rr_1r9v 1
4 . 387 . 1 1 3 NLE HB3 H 32.696 22.626 7.924 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HB3 . . rr_1r9v 1
4 . 388 . 1 1 3 NLE HD2 H 31.942 23.993 11.897 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HD2 . . rr_1r9v 1
4 . 389 . 1 1 3 NLE HD3 H 32.297 22.277 11.703 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HD3 . . rr_1r9v 1
4 . 390 . 1 1 3 NLE HE1 H 34.172 23.549 12.749 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE1 . . rr_1r9v 1
4 . 391 . 1 1 3 NLE HE2 H 34.676 22.818 11.219 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE2 . . rr_1r9v 1
4 . 392 . 1 1 3 NLE HE3 H 34.298 24.555 11.293 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE3 . . rr_1r9v 1
4 . 393 . 1 1 3 NLE HG2 H 32.442 24.444 9.552 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HG2 . . rr_1r9v 1
4 . 394 . 1 1 3 NLE HG3 H 31.172 23.235 9.712 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HG3 . . rr_1r9v 1
4 . 395 . 1 1 3 NLE N N 31.504 20.612 9.400 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE N . . rr_1r9v 1
4 . 396 . 1 1 3 NLE O O 33.515 20.332 7.074 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE O . . rr_1r9v 1
4 . 397 . 1 1 4 NLE C C 33.970 17.429 6.909 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE C . . rr_1r9v 1
4 . 398 . 1 1 4 NLE CA C 34.931 18.073 7.910 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CA . . rr_1r9v 1
4 . 399 . 1 1 4 NLE CB C 35.631 17.014 8.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CB . . rr_1r9v 1
4 . 400 . 1 1 4 NLE CD C 37.695 18.453 9.228 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CD . . rr_1r9v 1
4 . 401 . 1 1 4 NLE CE C 38.691 18.873 10.311 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CE . . rr_1r9v 1
4 . 402 . 1 1 4 NLE CG C 36.575 17.600 9.837 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CG . . rr_1r9v 1
4 . 403 . 1 1 4 NLE H H 34.129 18.815 9.745 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE H . . rr_1r9v 1
4 . 404 . 1 1 4 NLE HA H 35.688 18.626 7.354 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HA . . rr_1r9v 1
4 . 405 . 1 1 4 NLE HB2 H 34.874 16.414 9.283 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HB2 . . rr_1r9v 1
4 . 406 . 1 1 4 NLE HB3 H 36.202 16.353 8.121 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HB3 . . rr_1r9v 1
4 . 407 . 1 1 4 NLE HD2 H 38.222 17.878 8.465 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HD2 . . rr_1r9v 1
4 . 408 . 1 1 4 NLE HD3 H 37.280 19.355 8.778 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HD3 . . rr_1r9v 1
4 . 409 . 1 1 4 NLE HE1 H 39.477 19.485 9.866 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE1 . . rr_1r9v 1
4 . 410 . 1 1 4 NLE HE2 H 38.182 19.454 11.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE2 . . rr_1r9v 1
4 . 411 . 1 1 4 NLE HE3 H 39.144 17.991 10.767 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE3 . . rr_1r9v 1
4 . 412 . 1 1 4 NLE HG2 H 36.012 18.200 10.552 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HG2 . . rr_1r9v 1
4 . 413 . 1 1 4 NLE HG3 H 37.026 16.766 10.376 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HG3 . . rr_1r9v 1
4 . 414 . 1 1 4 NLE N N 34.192 18.999 8.753 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE N . . rr_1r9v 1
4 . 415 . 1 1 4 NLE O O 33.095 16.661 7.301 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE O . . rr_1r9v 1
4 . 416 . 1 1 5 NLE C C 31.862 17.859 4.645 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE C . . rr_1r9v 1
4 . 417 . 1 1 5 NLE CA C 33.278 17.284 4.542 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CA . . rr_1r9v 1
4 . 418 . 1 1 5 NLE CB C 33.306 15.752 4.400 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CB . . rr_1r9v 1
4 . 419 . 1 1 5 NLE CD C 34.728 13.720 3.969 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CD . . rr_1r9v 1
4 . 420 . 1 1 5 NLE CE C 36.159 13.188 3.870 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CE . . rr_1r9v 1
4 . 421 . 1 1 5 NLE CG C 34.738 15.217 4.289 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CG . . rr_1r9v 1
4 . 422 . 1 1 5 NLE H H 34.839 18.434 5.358 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE H . . rr_1r9v 1
4 . 423 . 1 1 5 NLE HA H 33.699 17.697 3.634 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HA . . rr_1r9v 1
4 . 424 . 1 1 5 NLE HB2 H 32.806 15.278 5.244 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HB2 . . rr_1r9v 1
4 . 425 . 1 1 5 NLE HB3 H 32.761 15.482 3.494 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HB3 . . rr_1r9v 1
4 . 426 . 1 1 5 NLE HD2 H 34.199 13.182 4.757 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HD2 . . rr_1r9v 1
4 . 427 . 1 1 5 NLE HD3 H 34.217 13.550 3.019 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HD3 . . rr_1r9v 1
4 . 428 . 1 1 5 NLE HE1 H 36.136 12.122 3.641 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE1 . . rr_1r9v 1
4 . 429 . 1 1 5 NLE HE2 H 36.697 13.710 3.078 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE2 . . rr_1r9v 1
4 . 430 . 1 1 5 NLE HE3 H 36.678 13.337 4.817 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE3 . . rr_1r9v 1
4 . 431 . 1 1 5 NLE HG2 H 35.267 15.749 3.498 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HG2 . . rr_1r9v 1
4 . 432 . 1 1 5 NLE HG3 H 35.257 15.369 5.236 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HG3 . . rr_1r9v 1
4 . 433 . 1 1 5 NLE N N 34.122 17.763 5.625 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE N . . rr_1r9v 1
4 . 434 . 1 1 5 NLE O O 30.920 17.287 4.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE O . . rr_1r9v 1
4 . 435 . 1 1 6 NLE C C 30.785 21.148 5.896 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE C . . rr_1r9v 1
4 . 436 . 1 1 6 NLE CA C 30.462 19.726 5.438 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CA . . rr_1r9v 1
4 . 437 . 1 1 6 NLE CB C 29.506 18.972 6.380 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CB . . rr_1r9v 1
4 . 438 . 1 1 6 NLE CD C 27.378 19.792 5.152 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CD . . rr_1r9v 1
4 . 439 . 1 1 6 NLE CE C 27.261 18.498 4.341 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CE . . rr_1r9v 1
4 . 440 . 1 1 6 NLE CG C 28.098 19.582 6.492 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CG . . rr_1r9v 1
4 . 441 . 1 1 6 NLE H H 32.536 19.406 5.763 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE H . . rr_1r9v 1
4 . 442 . 1 1 6 NLE HA H 30.016 19.784 4.445 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HA . . rr_1r9v 1
4 . 443 . 1 1 6 NLE HB2 H 29.392 17.948 6.029 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HB2 . . rr_1r9v 1
4 . 444 . 1 1 6 NLE HB3 H 29.956 18.925 7.370 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HB3 . . rr_1r9v 1
4 . 445 . 1 1 6 NLE HD2 H 26.371 20.153 5.366 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HD2 . . rr_1r9v 1
4 . 446 . 1 1 6 NLE HD3 H 27.887 20.555 4.563 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HD3 . . rr_1r9v 1
4 . 447 . 1 1 6 NLE HE1 H 28.243 18.159 4.009 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE1 . . rr_1r9v 1
4 . 448 . 1 1 6 NLE HE2 H 26.797 17.720 4.948 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE2 . . rr_1r9v 1
4 . 449 . 1 1 6 NLE HE3 H 26.641 18.679 3.462 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE3 . . rr_1r9v 1
4 . 450 . 1 1 6 NLE HG2 H 27.490 18.912 7.101 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HG2 . . rr_1r9v 1
4 . 451 . 1 1 6 NLE HG3 H 28.145 20.540 7.010 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HG3 . . rr_1r9v 1
4 . 452 . 1 1 6 NLE N N 31.717 19.002 5.318 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE N . . rr_1r9v 1
5 . 453 . 1 1 1 NLE C C 28.474 17.253 9.876 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE C . . rr_1r9v 1
5 . 454 . 1 1 1 NLE CA C 28.550 15.731 10.028 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CA . . rr_1r9v 1
5 . 455 . 1 1 1 NLE CB C 29.472 15.112 8.967 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CB . . rr_1r9v 1
5 . 456 . 1 1 1 NLE CD C 29.859 14.712 6.516 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CD . . rr_1r9v 1
5 . 457 . 1 1 1 NLE CE C 29.229 14.730 5.121 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CE . . rr_1r9v 1
5 . 458 . 1 1 1 NLE CG C 28.854 15.194 7.566 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE CG . . rr_1r9v 1
5 . 459 . 1 1 1 NLE HN2 H 28.433 15.757 12.093 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HN2 . . rr_1r9v 1
5 . 460 . 1 1 1 NLE HA H 27.547 15.317 9.913 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HA . . rr_1r9v 1
5 . 461 . 1 1 1 NLE HB2 H 30.433 15.631 8.975 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HB2 . . rr_1r9v 1
5 . 462 . 1 1 1 NLE HB3 H 29.644 14.061 9.204 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HB3 . . rr_1r9v 1
5 . 463 . 1 1 1 NLE HD2 H 30.727 15.373 6.523 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HD2 . . rr_1r9v 1
5 . 464 . 1 1 1 NLE HD3 H 30.182 13.697 6.750 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HD3 . . rr_1r9v 1
5 . 465 . 1 1 1 NLE HE1 H 28.892 15.737 4.877 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE1 . . rr_1r9v 1
5 . 466 . 1 1 1 NLE HE2 H 29.970 14.419 4.385 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE2 . . rr_1r9v 1
5 . 467 . 1 1 1 NLE HE3 H 28.380 14.047 5.086 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HE3 . . rr_1r9v 1
5 . 468 . 1 1 1 NLE HG2 H 27.959 14.570 7.530 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HG2 . . rr_1r9v 1
5 . 469 . 1 1 1 NLE HG3 H 28.575 16.222 7.335 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE HG3 . . rr_1r9v 1
5 . 470 . 1 1 1 NLE N N 29.055 15.377 11.370 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE N . . rr_1r9v 1
5 . 471 . 1 1 1 NLE O O 27.506 17.780 9.332 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 DNE O . . rr_1r9v 1
5 . 472 . 1 1 2 NLE C C 31.195 19.628 10.129 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE C . . rr_1r9v 1
5 . 473 . 1 1 2 NLE CA C 29.692 19.388 10.248 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CA . . rr_1r9v 1
5 . 474 . 1 1 2 NLE CB C 29.145 20.104 11.492 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CB . . rr_1r9v 1
5 . 475 . 1 1 2 NLE CD C 27.118 20.800 12.809 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CD . . rr_1r9v 1
5 . 476 . 1 1 2 NLE CE C 25.608 20.624 12.980 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CE . . rr_1r9v 1
5 . 477 . 1 1 2 NLE CG C 27.629 19.936 11.652 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE CG . . rr_1r9v 1
5 . 478 . 1 1 2 NLE H H 30.252 17.440 10.812 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE H . . rr_1r9v 1
5 . 479 . 1 1 2 NLE HA H 29.188 19.772 9.359 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HA . . rr_1r9v 1
5 . 480 . 1 1 2 NLE HB2 H 29.648 19.721 12.382 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HB2 . . rr_1r9v 1
5 . 481 . 1 1 2 NLE HB3 H 29.370 21.167 11.398 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HB3 . . rr_1r9v 1
5 . 482 . 1 1 2 NLE HD2 H 27.619 20.507 13.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HD2 . . rr_1r9v 1
5 . 483 . 1 1 2 NLE HD3 H 27.333 21.850 12.606 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HD3 . . rr_1r9v 1
5 . 484 . 1 1 2 NLE HE1 H 25.260 21.247 13.805 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE1 . . rr_1r9v 1
5 . 485 . 1 1 2 NLE HE2 H 25.092 20.922 12.067 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE2 . . rr_1r9v 1
5 . 486 . 1 1 2 NLE HE3 H 25.377 19.581 13.200 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HE3 . . rr_1r9v 1
5 . 487 . 1 1 2 NLE HG2 H 27.131 20.235 10.729 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HG2 . . rr_1r9v 1
5 . 488 . 1 1 2 NLE HG3 H 27.395 18.892 11.863 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE HG3 . . rr_1r9v 1
5 . 489 . 1 1 2 NLE N N 29.507 17.950 10.353 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE N . . rr_1r9v 1
5 . 490 . 1 1 2 NLE O O 31.978 18.891 10.730 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 NLE O . . rr_1r9v 1
5 . 491 . 1 1 3 NLE C C 33.665 20.050 8.249 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE C . . rr_1r9v 1
5 . 492 . 1 1 3 NLE CA C 33.021 20.980 9.276 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CA . . rr_1r9v 1
5 . 493 . 1 1 3 NLE CB C 33.202 22.462 8.926 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CB . . rr_1r9v 1
5 . 494 . 1 1 3 NLE CD C 32.755 23.280 11.301 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CD . . rr_1r9v 1
5 . 495 . 1 1 3 NLE CE C 32.028 24.345 12.125 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CE . . rr_1r9v 1
5 . 496 . 1 1 3 NLE CG C 32.397 23.420 9.817 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE CG . . rr_1r9v 1
5 . 497 . 1 1 3 NLE H H 30.955 21.187 8.822 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE H . . rr_1r9v 1
5 . 498 . 1 1 3 NLE HA H 33.508 20.819 10.239 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HA . . rr_1r9v 1
5 . 499 . 1 1 3 NLE HB2 H 34.259 22.706 9.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HB2 . . rr_1r9v 1
5 . 500 . 1 1 3 NLE HB3 H 32.901 22.625 7.895 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HB3 . . rr_1r9v 1
5 . 501 . 1 1 3 NLE HD2 H 32.456 22.298 11.668 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HD2 . . rr_1r9v 1
5 . 502 . 1 1 3 NLE HD3 H 33.831 23.400 11.432 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HD3 . . rr_1r9v 1
5 . 503 . 1 1 3 NLE HE1 H 32.286 24.229 13.178 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE1 . . rr_1r9v 1
5 . 504 . 1 1 3 NLE HE2 H 32.326 25.341 11.794 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE2 . . rr_1r9v 1
5 . 505 . 1 1 3 NLE HE3 H 30.950 24.234 12.009 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HE3 . . rr_1r9v 1
5 . 506 . 1 1 3 NLE HG2 H 32.618 24.439 9.497 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HG2 . . rr_1r9v 1
5 . 507 . 1 1 3 NLE HG3 H 31.328 23.248 9.681 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE HG3 . . rr_1r9v 1
5 . 508 . 1 1 3 NLE N N 31.613 20.639 9.370 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE N . . rr_1r9v 1
5 . 509 . 1 1 3 NLE O O 33.618 20.310 7.047 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 DNE O . . rr_1r9v 1
5 . 510 . 1 1 4 NLE C C 33.991 17.398 6.875 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE C . . rr_1r9v 1
5 . 511 . 1 1 4 NLE CA C 34.971 18.010 7.878 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CA . . rr_1r9v 1
5 . 512 . 1 1 4 NLE CB C 35.639 16.929 8.741 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CB . . rr_1r9v 1
5 . 513 . 1 1 4 NLE CD C 37.742 18.306 9.211 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CD . . rr_1r9v 1
5 . 514 . 1 1 4 NLE CE C 38.739 18.701 10.302 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CE . . rr_1r9v 1
5 . 515 . 1 1 4 NLE CG C 36.594 17.484 9.809 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE CG . . rr_1r9v 1
5 . 516 . 1 1 4 NLE H H 34.190 18.770 9.714 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE H . . rr_1r9v 1
5 . 517 . 1 1 4 NLE HA H 35.744 18.543 7.324 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HA . . rr_1r9v 1
5 . 518 . 1 1 4 NLE HB2 H 34.864 16.348 9.244 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HB2 . . rr_1r9v 1
5 . 519 . 1 1 4 NLE HB3 H 36.194 16.255 8.086 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HB3 . . rr_1r9v 1
5 . 520 . 1 1 4 NLE HD2 H 38.260 17.716 8.454 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HD2 . . rr_1r9v 1
5 . 521 . 1 1 4 NLE HD3 H 37.355 19.218 8.755 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HD3 . . rr_1r9v 1
5 . 522 . 1 1 4 NLE HE1 H 39.544 19.291 9.863 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE1 . . rr_1r9v 1
5 . 523 . 1 1 4 NLE HE2 H 38.238 19.297 11.066 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE2 . . rr_1r9v 1
5 . 524 . 1 1 4 NLE HE3 H 39.163 17.808 10.763 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HE3 . . rr_1r9v 1
5 . 525 . 1 1 4 NLE HG2 H 36.045 18.097 10.525 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HG2 . . rr_1r9v 1
5 . 526 . 1 1 4 NLE HG3 H 37.017 16.635 10.348 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE HG3 . . rr_1r9v 1
5 . 527 . 1 1 4 NLE N N 34.258 18.956 8.723 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE N . . rr_1r9v 1
5 . 528 . 1 1 4 NLE O O 33.093 16.656 7.265 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 NLE O . . rr_1r9v 1
5 . 529 . 1 1 5 NLE C C 31.897 17.890 4.611 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE C . . rr_1r9v 1
5 . 530 . 1 1 5 NLE CA C 33.296 17.274 4.508 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CA . . rr_1r9v 1
5 . 531 . 1 1 5 NLE CB C 33.279 15.742 4.365 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CB . . rr_1r9v 1
5 . 532 . 1 1 5 NLE CD C 34.640 13.670 3.928 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CD . . rr_1r9v 1
5 . 533 . 1 1 5 NLE CE C 36.054 13.095 3.830 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CE . . rr_1r9v 1
5 . 534 . 1 1 5 NLE CG C 34.695 15.165 4.255 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE CG . . rr_1r9v 1
5 . 535 . 1 1 5 NLE H H 34.892 18.375 5.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE H . . rr_1r9v 1
5 . 536 . 1 1 5 NLE HA H 33.729 17.675 3.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HA . . rr_1r9v 1
5 . 537 . 1 1 5 NLE HB2 H 32.764 15.282 5.208 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HB2 . . rr_1r9v 1
5 . 538 . 1 1 5 NLE HB3 H 32.727 15.489 3.459 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HB3 . . rr_1r9v 1
5 . 539 . 1 1 5 NLE HD2 H 34.093 13.145 4.714 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HD2 . . rr_1r9v 1
5 . 540 . 1 1 5 NLE HD3 H 34.126 13.519 2.977 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HD3 . . rr_1r9v 1
5 . 541 . 1 1 5 NLE HE1 H 35.999 12.031 3.598 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE1 . . rr_1r9v 1
5 . 542 . 1 1 5 NLE HE2 H 36.610 13.603 3.041 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE2 . . rr_1r9v 1
5 . 543 . 1 1 5 NLE HE3 H 36.576 13.224 4.779 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HE3 . . rr_1r9v 1
5 . 544 . 1 1 5 NLE HG2 H 35.242 15.684 3.467 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HG2 . . rr_1r9v 1
5 . 545 . 1 1 5 NLE HG3 H 35.216 15.297 5.203 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE HG3 . . rr_1r9v 1
5 . 546 . 1 1 5 NLE N N 34.155 17.727 5.591 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE N . . rr_1r9v 1
5 . 547 . 1 1 5 NLE O O 30.939 17.349 4.066 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 DNE O . . rr_1r9v 1
5 . 548 . 1 1 6 NLE C C 30.919 21.207 5.867 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE C . . rr_1r9v 1
5 . 549 . 1 1 6 NLE CA C 30.553 19.795 5.410 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CA . . rr_1r9v 1
5 . 550 . 1 1 6 NLE CB C 29.581 19.068 6.357 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CB . . rr_1r9v 1
5 . 551 . 1 1 6 NLE CD C 27.466 19.936 5.142 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CD . . rr_1r9v 1
5 . 552 . 1 1 6 NLE CE C 27.308 18.640 4.341 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CE . . rr_1r9v 1
5 . 553 . 1 1 6 NLE CG C 28.190 19.717 6.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE CG . . rr_1r9v 1
5 . 554 . 1 1 6 NLE H H 32.616 19.415 5.732 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE H . . rr_1r9v 1
5 . 555 . 1 1 6 NLE HA H 30.103 19.866 4.419 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HA . . rr_1r9v 1
5 . 556 . 1 1 6 NLE HB2 H 29.438 18.047 6.008 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HB2 . . rr_1r9v 1
5 . 557 . 1 1 6 NLE HB3 H 30.035 19.009 7.344 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HB3 . . rr_1r9v 1
5 . 558 . 1 1 6 NLE HD2 H 26.470 20.325 5.362 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HD2 . . rr_1r9v 1
5 . 559 . 1 1 6 NLE HD3 H 27.989 20.681 4.543 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HD3 . . rr_1r9v 1
5 . 560 . 1 1 6 NLE HE1 H 26.680 18.829 3.470 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE1 . . rr_1r9v 1
5 . 561 . 1 1 6 NLE HE2 H 28.277 18.277 3.999 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE2 . . rr_1r9v 1
5 . 562 . 1 1 6 NLE HE3 H 26.834 17.877 4.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HE3 . . rr_1r9v 1
5 . 563 . 1 1 6 NLE HG2 H 27.570 19.067 7.095 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HG2 . . rr_1r9v 1
5 . 564 . 1 1 6 NLE HG3 H 28.266 20.676 6.988 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE HG3 . . rr_1r9v 1
5 . 565 . 1 1 6 NLE N N 31.786 19.036 5.286 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 NLE N . . rr_1r9v 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_1r9v
_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 1r9v.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1r9v 1
1 1r9v.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 rr_1r9v 1
1 1r9v.mr . . unknown 3 distance NOE simple 0 rr_1r9v 1
1 1r9v.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 rr_1r9v 1
1 1r9v.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1r9v 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_1r9v
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
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_Org_constr_file_comment.Comment "*HEADER DE NOVO PROTEIN 31-OCT-03 1R9V *TITLE NMR STRUCTURE OF A D,L-ALTERNATING DODECAMER OF NORLEUCINE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: BOC-(D-NLE-L-NLE)4-D-NLE(METHYL)-L-NLE-D-NLE-L- *COMPND 3 NLE METHYL ESTER; *COMPND 4 CHAIN: A; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: D,L-ALTERNATING SEQUENCE AS IN GRAMICIDIN A *KEYWDS BETA HELIX, ION CHANNEL *EXPDTA NMR, 5 STRUCTURES *AUTHOR E.NAVARRO, B.CELDA *REVDAT 1 02-DEC-03 1R9V 0 "
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_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment ------------------------------
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_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "------------------------------ "
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