NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
310762 |
1s1o   |
6101 | cing | 3-converted-DOCR | STAR | entry | full |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1s1o
# This DOCR archive file contains, for PDB entry <1s1o>:
#
# - 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_1s1o
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1s1o"
_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 1s1o"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1s1o
_Assembly.ID 1
_Assembly.Name 1s1o
_Assembly.Number_of_components 4
_Assembly.Organic_ligands 2
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 2082.8388
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 L NLE D NLE L NLE 5 D NLE METHYL L NLE D NLE L NLE METHYL ESTER" 1 $BOC_L_NLE__D_NLE_L_NLE_5_D_NLE_METHYL__L_NLE_D_NLE_L_NLE_METHYL_ESTER A . no . . . . . . rr_1s1o 1
2 "BOC L NLE D NLE L NLE 5 D NLE METHYL L NLE D NLE L NLE METHYL ESTER" 1 $BOC_L_NLE__D_NLE_L_NLE_5_D_NLE_METHYL__L_NLE_D_NLE_L_NLE_METHYL_ESTER B . no . . . . . . rr_1s1o 1
3 "TERT BUTYL HYDROGEN CARBONATE" 2 $TERT_BUTYL_HYDROGEN_CARBONATE C . no . . . . . . rr_1s1o 1
4 "TERT BUTYL HYDROGEN CARBONATE" 2 $TERT_BUTYL_HYDROGEN_CARBONATE D . no . . . . . . rr_1s1o 1
stop_
save_
save_BOC_L_NLE__D_NLE_L_NLE_5_D_NLE_METHYL__L_NLE_D_NLE_L_NLE_METHYL_ESTER
_Entity.Sf_category entity
_Entity.Sf_framecode BOC_L_NLE__D_NLE_L_NLE_5_D_NLE_METHYL__L_NLE_D_NLE_L_NLE_METHYL_ESTER
_Entity.Entry_ID rr_1s1o
_Entity.ID 1
_Entity.Name BOC_L_NLE__D_NLE_L_NLE_5_D_NLE_METHYL__L_NLE_D_NLE_L_NLE_METHYL_ESTER
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A,B
_Entity.Polymer_seq_one_letter_code XXXXXXXX
_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 8
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 923.2872
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_1s1o 1
2 . NLE . rr_1s1o 1
3 . NLE . rr_1s1o 1
4 . NLE . rr_1s1o 1
5 . NLE . rr_1s1o 1
6 . NLE . rr_1s1o 1
7 . NLE . rr_1s1o 1
8 . NLE . rr_1s1o 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_1s1o 1
. NLE 2 2 rr_1s1o 1
. NLE 3 3 rr_1s1o 1
. NLE 4 4 rr_1s1o 1
. NLE 5 5 rr_1s1o 1
. NLE 6 6 rr_1s1o 1
. NLE 7 7 rr_1s1o 1
. NLE 8 8 rr_1s1o 1
stop_
save_
save_TERT_BUTYL_HYDROGEN_CARBONATE
_Entity.Sf_category entity
_Entity.Sf_framecode TERT_BUTYL_HYDROGEN_CARBONATE
_Entity.Entry_ID rr_1s1o
_Entity.ID 2
_Entity.Name TERT_BUTYL_HYDROGEN_CARBONATE
_Entity.Type non-polymer
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID BOC
_Entity.Nonpolymer_comp_label $chem_comp_BOC
_Entity.Number_of_monomers 1
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 2
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 . BOC . rr_1s1o 2
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_1s1o
_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_1s1o 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_1s1o
_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_1s1o 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_1s1o
_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_1s1o NLE
stop_
save_
save_chem_comp_BOC
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_BOC
_Chem_comp.Entry_ID rr_1s1o
_Chem_comp.ID BOC
_Chem_comp.Name "TERT-BUTYL HYDROGEN CARBONATE"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code BOC
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C5 H10 O3"
_Chem_comp.Formula_weight 118.1322
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1s1o
_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_1s1o
_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_1s1o 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_1s1o 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 31.743 0.104 8.502 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE C . . rr_1s1o 1
1 . 2 . 1 1 1 NLE CA C 32.965 -0.320 9.319 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CA . . rr_1s1o 1
1 . 3 . 1 1 1 NLE CB C 34.185 -0.583 8.424 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CB . . rr_1s1o 1
1 . 4 . 1 1 1 NLE CD C 35.183 -1.943 6.558 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CD . . rr_1s1o 1
1 . 5 . 1 1 1 NLE CE C 35.118 -3.232 5.729 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CE . . rr_1s1o 1
1 . 6 . 1 1 1 NLE CG C 34.006 -1.820 7.532 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CG . . rr_1s1o 1
1 . 7 . 1 1 1 NLE HA H 33.201 0.529 9.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HA . . rr_1s1o 1
1 . 8 . 1 1 1 NLE HB2 H 34.356 0.294 7.797 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HB2 . . rr_1s1o 1
1 . 9 . 1 1 1 NLE HB3 H 35.060 -0.728 9.058 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HB3 . . rr_1s1o 1
1 . 10 . 1 1 1 NLE HD2 H 35.196 -1.082 5.889 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HD2 . . rr_1s1o 1
1 . 11 . 1 1 1 NLE HD3 H 36.113 -1.953 7.130 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HD3 . . rr_1s1o 1
1 . 12 . 1 1 1 NLE HE1 H 36.011 -3.282 5.104 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE1 . . rr_1s1o 1
1 . 13 . 1 1 1 NLE HE2 H 35.112 -4.097 6.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE2 . . rr_1s1o 1
1 . 14 . 1 1 1 NLE HE3 H 33.887 -3.283 4.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE3 . . rr_1s1o 1
1 . 15 . 1 1 1 NLE HG2 H 33.962 -2.717 8.152 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HG2 . . rr_1s1o 1
1 . 16 . 1 1 1 NLE HG3 H 33.079 -1.732 6.969 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HG3 . . rr_1s1o 1
1 . 17 . 1 1 1 NLE N N 32.685 -1.505 10.130 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE N . . rr_1s1o 1
1 . 18 . 1 1 1 NLE O O 30.817 -0.679 8.294 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE O . . rr_1s1o 1
1 . 19 . 1 1 2 NLE C C 30.543 3.426 7.856 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE C . . rr_1s1o 1
1 . 20 . 1 1 2 NLE CA C 30.642 1.991 7.340 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CA . . rr_1s1o 1
1 . 21 . 1 1 2 NLE CB C 30.835 1.926 5.816 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CB . . rr_1s1o 1
1 . 22 . 1 1 2 NLE CD C 30.999 0.386 3.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CD . . rr_1s1o 1
1 . 23 . 1 1 2 NLE CE C 29.880 1.070 2.975 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CE . . rr_1s1o 1
1 . 24 . 1 1 2 NLE CG C 30.855 0.480 5.301 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CG . . rr_1s1o 1
1 . 25 . 1 1 2 NLE H H 32.564 1.927 8.219 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE H . . rr_1s1o 1
1 . 26 . 1 1 2 NLE HA H 29.703 1.495 7.590 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HA . . rr_1s1o 1
1 . 27 . 1 1 2 NLE HB2 H 30.000 2.458 5.359 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HB2 . . rr_1s1o 1
1 . 28 . 1 1 2 NLE HB3 H 31.760 2.425 5.537 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HB3 . . rr_1s1o 1
1 . 29 . 1 1 2 NLE HD2 H 31.951 0.830 3.485 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HD2 . . rr_1s1o 1
1 . 30 . 1 1 2 NLE HD3 H 31.024 -0.669 3.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HD3 . . rr_1s1o 1
1 . 31 . 1 1 2 NLE HE1 H 29.903 2.148 3.133 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE1 . . rr_1s1o 1
1 . 32 . 1 1 2 NLE HE2 H 30.063 0.884 1.916 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE2 . . rr_1s1o 1
1 . 33 . 1 1 2 NLE HE3 H 28.491 0.528 3.325 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE3 . . rr_1s1o 1
1 . 34 . 1 1 2 NLE HG2 H 31.711 -0.038 5.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HG2 . . rr_1s1o 1
1 . 35 . 1 1 2 NLE HG3 H 29.950 -0.033 5.624 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HG3 . . rr_1s1o 1
1 . 36 . 1 1 2 NLE N N 31.746 1.353 8.041 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE N . . rr_1s1o 1
1 . 37 . 1 1 2 NLE O O 30.598 4.386 7.089 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE O . . rr_1s1o 1
1 . 38 . 1 1 3 NLE C C 31.437 5.160 10.705 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE C . . rr_1s1o 1
1 . 39 . 1 1 3 NLE CA C 30.194 4.807 9.885 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CA . . rr_1s1o 1
1 . 40 . 1 1 3 NLE CB C 28.968 4.674 10.799 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CB . . rr_1s1o 1
1 . 41 . 1 1 3 NLE CD C 27.298 5.185 8.939 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CD . . rr_1s1o 1
1 . 42 . 1 1 3 NLE CE C 25.925 4.844 8.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CE . . rr_1s1o 1
1 . 43 . 1 1 3 NLE CG C 27.701 4.216 10.060 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CG . . rr_1s1o 1
1 . 44 . 1 1 3 NLE H H 30.466 2.717 9.740 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE H . . rr_1s1o 1
1 . 45 . 1 1 3 NLE HA H 29.998 5.614 9.186 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HA . . rr_1s1o 1
1 . 46 . 1 1 3 NLE HB2 H 29.189 3.946 11.580 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HB2 . . rr_1s1o 1
1 . 47 . 1 1 3 NLE HB3 H 28.775 5.638 11.273 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HB3 . . rr_1s1o 1
1 . 48 . 1 1 3 NLE HD2 H 27.255 6.196 9.345 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HD2 . . rr_1s1o 1
1 . 49 . 1 1 3 NLE HD3 H 28.036 5.162 8.137 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HD3 . . rr_1s1o 1
1 . 50 . 1 1 3 NLE HE1 H 25.171 4.848 9.134 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE1 . . rr_1s1o 1
1 . 51 . 1 1 3 NLE HE2 H 25.667 5.614 7.617 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE2 . . rr_1s1o 1
1 . 52 . 1 1 3 NLE HE3 H 25.918 3.486 7.638 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE3 . . rr_1s1o 1
1 . 53 . 1 1 3 NLE HG2 H 27.862 3.218 9.652 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HG2 . . rr_1s1o 1
1 . 54 . 1 1 3 NLE HG3 H 26.889 4.162 10.786 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HG3 . . rr_1s1o 1
1 . 55 . 1 1 3 NLE N N 30.406 3.557 9.175 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE N . . rr_1s1o 1
1 . 56 . 1 1 3 NLE O O 32.194 4.276 11.102 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE O . . rr_1s1o 1
1 . 57 . 1 1 4 NLE C C 33.506 8.013 11.127 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE C . . rr_1s1o 1
1 . 58 . 1 1 4 NLE CA C 32.682 6.950 11.851 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CA . . rr_1s1o 1
1 . 59 . 1 1 4 NLE CB C 32.053 7.536 13.123 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CB . . rr_1s1o 1
1 . 60 . 1 1 4 NLE CD C 30.876 6.994 15.307 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CD . . rr_1s1o 1
1 . 61 . 1 1 4 NLE CE C 29.882 8.156 15.207 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CE . . rr_1s1o 1
1 . 62 . 1 1 4 NLE CG C 31.304 6.468 13.931 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CG . . rr_1s1o 1
1 . 63 . 1 1 4 NLE H H 30.995 7.134 10.571 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE H . . rr_1s1o 1
1 . 64 . 1 1 4 NLE HA H 33.345 6.150 12.168 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HA . . rr_1s1o 1
1 . 65 . 1 1 4 NLE HB2 H 32.849 7.955 13.740 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HB2 . . rr_1s1o 1
1 . 66 . 1 1 4 NLE HB3 H 31.366 8.337 12.846 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HB3 . . rr_1s1o 1
1 . 67 . 1 1 4 NLE HD2 H 30.399 6.181 15.853 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HD2 . . rr_1s1o 1
1 . 68 . 1 1 4 NLE HD3 H 31.754 7.316 15.868 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HD3 . . rr_1s1o 1
1 . 69 . 1 1 4 NLE HE1 H 29.520 8.405 16.204 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE1 . . rr_1s1o 1
1 . 70 . 1 1 4 NLE HE2 H 30.365 9.037 14.784 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE2 . . rr_1s1o 1
1 . 71 . 1 1 4 NLE HE3 H 29.034 7.870 14.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE3 . . rr_1s1o 1
1 . 72 . 1 1 4 NLE HG2 H 30.421 6.137 13.383 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HG2 . . rr_1s1o 1
1 . 73 . 1 1 4 NLE HG3 H 31.960 5.611 14.082 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HG3 . . rr_1s1o 1
1 . 74 . 1 1 4 NLE N N 31.627 6.452 10.979 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE N . . rr_1s1o 1
1 . 75 . 1 1 4 NLE O O 33.040 9.143 11.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE O . . rr_1s1o 1
1 . 76 . 1 1 5 NLE C C 36.373 8.106 8.863 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE C . . rr_1s1o 1
1 . 77 . 1 1 5 NLE CA C 35.621 8.667 10.068 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CA . . rr_1s1o 1
1 . 78 . 1 1 5 NLE CB C 36.612 9.200 11.114 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CB . . rr_1s1o 1
1 . 79 . 1 1 5 NLE CD C 36.930 10.613 13.174 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CD . . rr_1s1o 1
1 . 80 . 1 1 5 NLE CE C 36.222 11.351 14.312 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CE . . rr_1s1o 1
1 . 81 . 1 1 5 NLE CG C 35.907 9.923 12.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CG . . rr_1s1o 1
1 . 82 . 1 1 5 NLE H H 35.039 6.728 10.750 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE H . . rr_1s1o 1
1 . 83 . 1 1 5 NLE HA H 35.036 9.502 9.688 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HA . . rr_1s1o 1
1 . 84 . 1 1 5 NLE HB2 H 37.205 8.373 11.507 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HB2 . . rr_1s1o 1
1 . 85 . 1 1 5 NLE HB3 H 37.283 9.906 10.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HB3 . . rr_1s1o 1
1 . 86 . 1 1 5 NLE HD2 H 37.608 9.868 13.594 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HD2 . . rr_1s1o 1
1 . 87 . 1 1 5 NLE HD3 H 37.510 11.332 12.592 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HD3 . . rr_1s1o 1
1 . 88 . 1 1 5 NLE HE1 H 35.552 12.109 13.905 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE1 . . rr_1s1o 1
1 . 89 . 1 1 5 NLE HE2 H 35.645 10.645 14.911 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE2 . . rr_1s1o 1
1 . 90 . 1 1 5 NLE HE3 H 36.963 11.836 14.949 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE3 . . rr_1s1o 1
1 . 91 . 1 1 5 NLE HG2 H 35.225 10.672 11.864 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HG2 . . rr_1s1o 1
1 . 92 . 1 1 5 NLE HG3 H 35.339 9.205 12.861 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HG3 . . rr_1s1o 1
1 . 93 . 1 1 5 NLE N N 34.718 7.690 10.670 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE N . . rr_1s1o 1
1 . 94 . 1 1 5 NLE O O 36.609 6.904 8.758 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE O . . rr_1s1o 1
1 . 95 . 1 1 6 NLE C C 36.766 9.607 5.643 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE C . . rr_1s1o 1
1 . 96 . 1 1 6 NLE CA C 37.451 8.755 6.714 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CA . . rr_1s1o 1
1 . 97 . 1 1 6 NLE CB C 38.939 9.101 6.865 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CB . . rr_1s1o 1
1 . 98 . 1 1 6 NLE CD C 41.135 8.376 7.934 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CD . . rr_1s1o 1
1 . 99 . 1 1 6 NLE CE C 41.599 9.799 8.257 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CE . . rr_1s1o 1
1 . 100 . 1 1 6 NLE CG C 39.607 8.244 7.949 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CG . . rr_1s1o 1
1 . 101 . 1 1 6 NLE H H 36.516 9.984 8.133 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE H . . rr_1s1o 1
1 . 102 . 1 1 6 NLE HA H 37.352 7.706 6.428 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HA . . rr_1s1o 1
1 . 103 . 1 1 6 NLE HB2 H 39.434 8.921 5.909 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HB2 . . rr_1s1o 1
1 . 104 . 1 1 6 NLE HB3 H 39.035 10.158 7.117 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HB3 . . rr_1s1o 1
1 . 105 . 1 1 6 NLE HD2 H 41.545 7.699 8.685 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HD2 . . rr_1s1o 1
1 . 106 . 1 1 6 NLE HD3 H 41.521 8.081 6.957 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HD3 . . rr_1s1o 1
1 . 107 . 1 1 6 NLE HE1 H 42.686 9.814 8.333 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE1 . . rr_1s1o 1
1 . 108 . 1 1 6 NLE HE2 H 41.297 10.488 7.468 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE2 . . rr_1s1o 1
1 . 109 . 1 1 6 NLE HE3 H 41.173 10.124 9.206 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE3 . . rr_1s1o 1
1 . 110 . 1 1 6 NLE HG2 H 39.235 8.532 8.932 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HG2 . . rr_1s1o 1
1 . 111 . 1 1 6 NLE HG3 H 39.352 7.199 7.774 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HG3 . . rr_1s1o 1
1 . 112 . 1 1 6 NLE N N 36.753 9.012 7.961 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE N . . rr_1s1o 1
1 . 113 . 1 1 6 NLE O O 37.389 10.446 4.991 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE O . . rr_1s1o 1
1 . 114 . 1 1 7 NLE C C 33.510 10.838 5.234 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE C . . rr_1s1o 1
1 . 115 . 1 1 7 NLE CA C 34.625 10.081 4.511 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CA . . rr_1s1o 1
1 . 116 . 1 1 7 NLE CB C 34.067 9.067 3.501 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CB . . rr_1s1o 1
1 . 117 . 1 1 7 NLE CD C 35.927 9.266 1.752 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CD . . rr_1s1o 1
1 . 118 . 1 1 7 NLE CE C 36.874 8.456 0.864 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CE . . rr_1s1o 1
1 . 119 . 1 1 7 NLE CG C 35.150 8.337 2.691 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CG . . rr_1s1o 1
1 . 120 . 1 1 7 NLE H H 35.004 8.737 6.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE H . . rr_1s1o 1
1 . 121 . 1 1 7 NLE HA H 35.207 10.823 3.978 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HA . . rr_1s1o 1
1 . 122 . 1 1 7 NLE HB2 H 33.491 8.318 4.043 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HB2 . . rr_1s1o 1
1 . 123 . 1 1 7 NLE HB3 H 33.397 9.578 2.807 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HB3 . . rr_1s1o 1
1 . 124 . 1 1 7 NLE HD2 H 35.231 9.818 1.119 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HD2 . . rr_1s1o 1
1 . 125 . 1 1 7 NLE HD3 H 36.522 9.968 2.333 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HD3 . . rr_1s1o 1
1 . 126 . 1 1 7 NLE HE1 H 37.422 9.132 0.207 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE1 . . rr_1s1o 1
1 . 127 . 1 1 7 NLE HE2 H 37.585 7.908 1.483 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE2 . . rr_1s1o 1
1 . 128 . 1 1 7 NLE HE3 H 36.306 7.751 0.256 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE3 . . rr_1s1o 1
1 . 129 . 1 1 7 NLE HG2 H 35.852 7.841 3.361 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HG2 . . rr_1s1o 1
1 . 130 . 1 1 7 NLE HG3 H 34.654 7.578 2.086 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HG3 . . rr_1s1o 1
1 . 131 . 1 1 7 NLE N N 35.461 9.398 5.485 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE N . . rr_1s1o 1
1 . 132 . 1 1 7 NLE O O 33.244 10.594 6.410 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE O . . rr_1s1o 1
1 . 133 . 1 1 8 NLE C C 32.133 14.022 5.059 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE C . . rr_1s1o 1
1 . 134 . 1 1 8 NLE CA C 31.743 12.545 5.051 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CA . . rr_1s1o 1
1 . 135 . 1 1 8 NLE CB C 30.491 12.298 4.197 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CB . . rr_1s1o 1
1 . 136 . 1 1 8 NLE CD C 28.805 12.612 6.092 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CD . . rr_1s1o 1
1 . 137 . 1 1 8 NLE CE C 27.456 13.237 6.454 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CE . . rr_1s1o 1
1 . 138 . 1 1 8 NLE CG C 29.234 13.036 4.682 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CG . . rr_1s1o 1
1 . 139 . 1 1 8 NLE H H 33.151 11.925 3.571 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE H . . rr_1s1o 1
1 . 140 . 1 1 8 NLE HA H 31.518 12.224 6.064 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HA . . rr_1s1o 1
1 . 141 . 1 1 8 NLE HB2 H 30.694 12.628 3.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HB2 . . rr_1s1o 1
1 . 142 . 1 1 8 NLE HB3 H 30.282 11.227 4.177 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HB3 . . rr_1s1o 1
1 . 143 . 1 1 8 NLE HD2 H 28.716 11.526 6.138 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HD2 . . rr_1s1o 1
1 . 144 . 1 1 8 NLE HD3 H 29.537 12.945 6.826 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HD3 . . rr_1s1o 1
1 . 145 . 1 1 8 NLE HE1 H 26.692 12.920 5.743 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE1 . . rr_1s1o 1
1 . 146 . 1 1 8 NLE HE2 H 27.165 12.917 7.455 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE2 . . rr_1s1o 1
1 . 147 . 1 1 8 NLE HE3 H 27.537 14.324 6.439 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE3 . . rr_1s1o 1
1 . 148 . 1 1 8 NLE HG2 H 29.395 14.114 4.657 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HG2 . . rr_1s1o 1
1 . 149 . 1 1 8 NLE HG3 H 28.425 12.800 3.988 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HG3 . . rr_1s1o 1
1 . 150 . 1 1 8 NLE N N 32.851 11.757 4.527 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE N . . rr_1s1o 1
1 . 151 . 1 1 8 NLE O O 32.723 14.509 4.097 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE O . . rr_1s1o 1
1 . 152 . 2 1 1 NLE C C 34.443 21.962 2.108 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE C . . rr_1s1o 1
1 . 153 . 2 1 1 NLE CA C 35.751 22.460 2.732 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CA . . rr_1s1o 1
1 . 154 . 2 1 1 NLE CB C 35.497 23.269 4.012 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CB . . rr_1s1o 1
1 . 155 . 2 1 1 NLE CD C 34.450 25.295 5.077 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CD . . rr_1s1o 1
1 . 156 . 2 1 1 NLE CE C 33.726 26.631 4.870 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CE . . rr_1s1o 1
1 . 157 . 2 1 1 NLE CG C 34.848 24.637 3.750 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CG . . rr_1s1o 1
1 . 158 . 2 1 1 NLE HA H 36.355 21.599 3.009 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HA . . rr_1s1o 1
1 . 159 . 2 1 1 NLE HB2 H 34.857 22.678 4.671 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HB2 . . rr_1s1o 1
1 . 160 . 2 1 1 NLE HB3 H 36.450 23.428 4.519 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HB3 . . rr_1s1o 1
1 . 161 . 2 1 1 NLE HD2 H 33.777 24.625 5.614 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HD2 . . rr_1s1o 1
1 . 162 . 2 1 1 NLE HD3 H 35.340 25.454 5.687 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HD3 . . rr_1s1o 1
1 . 163 . 2 1 1 NLE HE1 H 32.845 26.482 4.245 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE1 . . rr_1s1o 1
1 . 164 . 2 1 1 NLE HE2 H 33.399 26.997 5.845 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE2 . . rr_1s1o 1
1 . 165 . 2 1 1 NLE HE3 H 34.623 27.697 4.233 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE3 . . rr_1s1o 1
1 . 166 . 2 1 1 NLE HG2 H 35.562 25.277 3.235 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HG2 . . rr_1s1o 1
1 . 167 . 2 1 1 NLE HG3 H 33.958 24.522 3.130 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HG3 . . rr_1s1o 1
1 . 168 . 2 1 1 NLE N N 36.472 23.277 1.758 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE N . . rr_1s1o 1
1 . 169 . 2 1 1 NLE O O 33.973 22.555 1.137 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE O . . rr_1s1o 1
1 . 170 . 2 1 2 NLE C C 32.509 18.846 2.344 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE C . . rr_1s1o 1
1 . 171 . 2 1 2 NLE CA C 32.575 20.362 2.157 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CA . . rr_1s1o 1
1 . 172 . 2 1 2 NLE CB C 31.390 20.994 2.907 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CB . . rr_1s1o 1
1 . 173 . 2 1 2 NLE CD C 30.067 23.048 3.496 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CD . . rr_1s1o 1
1 . 174 . 2 1 2 NLE CE C 30.073 24.579 3.529 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CE . . rr_1s1o 1
1 . 175 . 2 1 2 NLE CG C 31.381 22.527 2.905 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CG . . rr_1s1o 1
1 . 176 . 2 1 2 NLE H H 34.289 20.427 3.430 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE H . . rr_1s1o 1
1 . 177 . 2 1 2 NLE HA H 32.492 20.582 1.094 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HA . . rr_1s1o 1
1 . 178 . 2 1 2 NLE HB2 H 30.471 20.642 2.436 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HB2 . . rr_1s1o 1
1 . 179 . 2 1 2 NLE HB3 H 31.399 20.649 3.942 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HB3 . . rr_1s1o 1
1 . 180 . 2 1 2 NLE HD2 H 29.233 22.703 2.883 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HD2 . . rr_1s1o 1
1 . 181 . 2 1 2 NLE HD3 H 29.947 22.665 4.510 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HD3 . . rr_1s1o 1
1 . 182 . 2 1 2 NLE HE1 H 30.895 24.926 4.157 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE1 . . rr_1s1o 1
1 . 183 . 2 1 2 NLE HE2 H 30.209 24.967 2.519 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE2 . . rr_1s1o 1
1 . 184 . 2 1 2 NLE HE3 H 28.754 25.108 4.096 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE3 . . rr_1s1o 1
1 . 185 . 2 1 2 NLE HG2 H 32.208 22.897 3.511 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HG2 . . rr_1s1o 1
1 . 186 . 2 1 2 NLE HG3 H 31.482 22.898 1.886 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HG3 . . rr_1s1o 1
1 . 187 . 2 1 2 NLE N N 33.844 20.897 2.646 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE N . . rr_1s1o 1
1 . 188 . 2 1 2 NLE O O 33.178 18.307 3.223 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE O . . rr_1s1o 1
1 . 189 . 2 1 3 NLE C C 32.149 15.861 0.790 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE C . . rr_1s1o 1
1 . 190 . 2 1 3 NLE CA C 31.354 16.755 1.744 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CA . . rr_1s1o 1
1 . 191 . 2 1 3 NLE CB C 29.847 16.535 1.563 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CB . . rr_1s1o 1
1 . 192 . 2 1 3 NLE CD C 27.550 16.994 2.473 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CD . . rr_1s1o 1
1 . 193 . 2 1 3 NLE CE C 26.699 17.761 3.494 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CE . . rr_1s1o 1
1 . 194 . 2 1 3 NLE CG C 29.048 17.268 2.647 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CG . . rr_1s1o 1
1 . 195 . 2 1 3 NLE H H 31.213 18.668 0.799 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE H . . rr_1s1o 1
1 . 196 . 2 1 3 NLE HA H 31.594 16.462 2.766 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HA . . rr_1s1o 1
1 . 197 . 2 1 3 NLE HB2 H 29.540 16.882 0.576 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HB2 . . rr_1s1o 1
1 . 198 . 2 1 3 NLE HB3 H 29.639 15.466 1.636 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HB3 . . rr_1s1o 1
1 . 199 . 2 1 3 NLE HD2 H 27.252 17.315 1.474 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HD2 . . rr_1s1o 1
1 . 200 . 2 1 3 NLE HD3 H 27.355 15.925 2.567 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HD3 . . rr_1s1o 1
1 . 201 . 2 1 3 NLE HE1 H 26.940 18.824 3.452 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE1 . . rr_1s1o 1
1 . 202 . 2 1 3 NLE HE2 H 25.648 17.634 3.230 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE2 . . rr_1s1o 1
1 . 203 . 2 1 3 NLE HE3 H 26.899 17.246 4.923 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE3 . . rr_1s1o 1
1 . 204 . 2 1 3 NLE HG2 H 29.379 16.916 3.623 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HG2 . . rr_1s1o 1
1 . 205 . 2 1 3 NLE HG3 H 29.224 18.341 2.574 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HG3 . . rr_1s1o 1
1 . 206 . 2 1 3 NLE N N 31.672 18.168 1.556 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE N . . rr_1s1o 1
1 . 207 . 2 1 3 NLE O O 32.080 16.026 -0.425 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE O . . rr_1s1o 1
1 . 208 . 2 1 4 NLE C C 34.575 13.197 1.606 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE C . . rr_1s1o 1
1 . 209 . 2 1 4 NLE CA C 33.680 13.928 0.603 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CA . . rr_1s1o 1
1 . 210 . 2 1 4 NLE CB C 32.795 12.982 -0.234 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CB . . rr_1s1o 1
1 . 211 . 2 1 4 NLE CD C 30.774 11.487 -0.409 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CD . . rr_1s1o 1
1 . 212 . 2 1 4 NLE CE C 29.578 10.901 0.345 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CE . . rr_1s1o 1
1 . 213 . 2 1 4 NLE CG C 31.582 12.406 0.512 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CG . . rr_1s1o 1
1 . 214 . 2 1 4 NLE H H 32.912 14.836 2.349 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE H . . rr_1s1o 1
1 . 215 . 2 1 4 NLE HA H 34.332 14.457 -0.093 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HA . . rr_1s1o 1
1 . 216 . 2 1 4 NLE HB2 H 32.428 13.532 -1.102 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HB2 . . rr_1s1o 1
1 . 217 . 2 1 4 NLE HB3 H 33.415 12.161 -0.598 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HB3 . . rr_1s1o 1
1 . 218 . 2 1 4 NLE HD2 H 30.413 12.054 -1.268 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HD2 . . rr_1s1o 1
1 . 219 . 2 1 4 NLE HD3 H 31.408 10.672 -0.761 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HD3 . . rr_1s1o 1
1 . 220 . 2 1 4 NLE HE1 H 29.925 10.317 1.199 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE1 . . rr_1s1o 1
1 . 221 . 2 1 4 NLE HE2 H 28.929 11.703 0.697 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE2 . . rr_1s1o 1
1 . 222 . 2 1 4 NLE HE3 H 29.010 10.252 -0.322 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE3 . . rr_1s1o 1
1 . 223 . 2 1 4 NLE HG2 H 31.913 11.826 1.371 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HG2 . . rr_1s1o 1
1 . 224 . 2 1 4 NLE HG3 H 30.935 13.216 0.848 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HG3 . . rr_1s1o 1
1 . 225 . 2 1 4 NLE N N 32.887 14.900 1.337 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE N . . rr_1s1o 1
1 . 226 . 2 1 4 NLE O O 34.245 12.110 2.074 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE O . . rr_1s1o 1
1 . 227 . 2 1 5 NLE C C 36.529 13.943 4.205 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE C . . rr_1s1o 1
1 . 228 . 2 1 5 NLE CA C 36.709 13.265 2.850 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CA . . rr_1s1o 1
1 . 229 . 2 1 5 NLE CB C 38.111 13.534 2.289 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CB . . rr_1s1o 1
1 . 230 . 2 1 5 NLE CD C 39.676 13.176 0.311 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CD . . rr_1s1o 1
1 . 231 . 2 1 5 NLE CE C 40.862 12.692 1.150 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CE . . rr_1s1o 1
1 . 232 . 2 1 5 NLE CG C 38.324 12.825 0.944 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CG . . rr_1s1o 1
1 . 233 . 2 1 5 NLE H H 35.862 14.745 1.576 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE H . . rr_1s1o 1
1 . 234 . 2 1 5 NLE HA H 36.594 12.190 2.957 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HA . . rr_1s1o 1
1 . 235 . 2 1 5 NLE HB2 H 38.250 14.607 2.162 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HB2 . . rr_1s1o 1
1 . 236 . 2 1 5 NLE HB3 H 38.839 13.168 3.014 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HB3 . . rr_1s1o 1
1 . 237 . 2 1 5 NLE HD2 H 39.730 12.697 -0.668 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HD2 . . rr_1s1o 1
1 . 238 . 2 1 5 NLE HD3 H 39.748 14.256 0.171 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HD3 . . rr_1s1o 1
1 . 239 . 2 1 5 NLE HE1 H 40.762 11.626 1.359 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE1 . . rr_1s1o 1
1 . 240 . 2 1 5 NLE HE2 H 41.786 12.858 0.595 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE2 . . rr_1s1o 1
1 . 241 . 2 1 5 NLE HE3 H 40.920 13.242 2.089 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE3 . . rr_1s1o 1
1 . 242 . 2 1 5 NLE HG2 H 38.256 11.746 1.086 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HG2 . . rr_1s1o 1
1 . 243 . 2 1 5 NLE HG3 H 37.545 13.130 0.244 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HG3 . . rr_1s1o 1
1 . 244 . 2 1 5 NLE N N 35.705 13.812 1.946 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE N . . rr_1s1o 1
1 . 245 . 2 1 5 NLE O O 36.342 15.156 4.237 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE O . . rr_1s1o 1
1 . 246 . 2 1 6 NLE C C 35.693 12.854 7.596 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE C . . rr_1s1o 1
1 . 247 . 2 1 6 NLE CA C 36.384 13.814 6.632 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CA . . rr_1s1o 1
1 . 248 . 2 1 6 NLE CB C 37.733 14.296 7.184 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CB . . rr_1s1o 1
1 . 249 . 2 1 6 NLE CD C 38.897 15.680 8.935 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CD . . rr_1s1o 1
1 . 250 . 2 1 6 NLE CE C 38.722 16.464 10.238 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CE . . rr_1s1o 1
1 . 251 . 2 1 6 NLE CG C 37.556 15.096 8.482 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CG . . rr_1s1o 1
1 . 252 . 2 1 6 NLE H H 36.763 12.208 5.266 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE H . . rr_1s1o 1
1 . 253 . 2 1 6 NLE HA H 35.743 14.683 6.516 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HA . . rr_1s1o 1
1 . 254 . 2 1 6 NLE HB2 H 38.380 13.437 7.367 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HB2 . . rr_1s1o 1
1 . 255 . 2 1 6 NLE HB3 H 38.206 14.942 6.442 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HB3 . . rr_1s1o 1
1 . 256 . 2 1 6 NLE HD2 H 39.612 14.873 9.097 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HD2 . . rr_1s1o 1
1 . 257 . 2 1 6 NLE HD3 H 39.285 16.349 8.166 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HD3 . . rr_1s1o 1
1 . 258 . 2 1 6 NLE HE1 H 38.357 15.802 11.024 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE1 . . rr_1s1o 1
1 . 259 . 2 1 6 NLE HE2 H 39.682 16.882 10.543 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE2 . . rr_1s1o 1
1 . 260 . 2 1 6 NLE HE3 H 38.010 17.276 10.093 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE3 . . rr_1s1o 1
1 . 261 . 2 1 6 NLE HG2 H 36.848 15.909 8.316 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HG2 . . rr_1s1o 1
1 . 262 . 2 1 6 NLE HG3 H 37.171 14.447 9.269 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HG3 . . rr_1s1o 1
1 . 263 . 2 1 6 NLE N N 36.580 13.207 5.319 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE N . . rr_1s1o 1
1 . 264 . 2 1 6 NLE O O 36.103 11.701 7.706 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE O . . rr_1s1o 1
1 . 265 . 2 1 7 NLE C C 32.523 12.314 8.992 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE C . . rr_1s1o 1
1 . 266 . 2 1 7 NLE CA C 33.983 12.588 9.355 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CA . . rr_1s1o 1
1 . 267 . 2 1 7 NLE CB C 34.111 13.304 10.708 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CB . . rr_1s1o 1
1 . 268 . 2 1 7 NLE CD C 33.670 15.409 12.075 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CD . . rr_1s1o 1
1 . 269 . 2 1 7 NLE CE C 32.722 14.784 13.104 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CE . . rr_1s1o 1
1 . 270 . 2 1 7 NLE CG C 33.573 14.743 10.696 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CG . . rr_1s1o 1
1 . 271 . 2 1 7 NLE H H 34.348 14.282 8.121 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE H . . rr_1s1o 1
1 . 272 . 2 1 7 NLE HA H 34.466 11.622 9.478 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HA . . rr_1s1o 1
1 . 273 . 2 1 7 NLE HB2 H 33.568 12.714 11.445 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HB2 . . rr_1s1o 1
1 . 274 . 2 1 7 NLE HB3 H 35.164 13.326 10.994 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HB3 . . rr_1s1o 1
1 . 275 . 2 1 7 NLE HD2 H 34.696 15.352 12.441 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HD2 . . rr_1s1o 1
1 . 276 . 2 1 7 NLE HD3 H 33.403 16.461 11.962 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HD3 . . rr_1s1o 1
1 . 277 . 2 1 7 NLE HE1 H 31.702 14.779 12.718 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE1 . . rr_1s1o 1
1 . 278 . 2 1 7 NLE HE2 H 33.026 13.766 13.344 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE2 . . rr_1s1o 1
1 . 279 . 2 1 7 NLE HE3 H 32.749 15.376 14.020 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE3 . . rr_1s1o 1
1 . 280 . 2 1 7 NLE HG2 H 34.169 15.339 10.004 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HG2 . . rr_1s1o 1
1 . 281 . 2 1 7 NLE HG3 H 32.535 14.761 10.364 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HG3 . . rr_1s1o 1
1 . 282 . 2 1 7 NLE N N 34.670 13.336 8.309 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE N . . rr_1s1o 1
1 . 283 . 2 1 7 NLE O O 31.869 13.123 8.335 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE O . . rr_1s1o 1
1 . 284 . 2 1 8 NLE C C 30.719 9.208 8.859 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE C . . rr_1s1o 1
1 . 285 . 2 1 8 NLE CA C 30.662 10.689 9.246 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CA . . rr_1s1o 1
1 . 286 . 2 1 8 NLE CB C 29.842 10.915 10.525 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CB . . rr_1s1o 1
1 . 287 . 2 1 8 NLE CD C 28.783 12.668 12.042 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CD . . rr_1s1o 1
1 . 288 . 2 1 8 NLE CE C 29.203 11.986 13.347 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CE . . rr_1s1o 1
1 . 289 . 2 1 8 NLE CG C 29.773 12.403 10.901 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CG . . rr_1s1o 1
1 . 290 . 2 1 8 NLE H H 32.624 10.558 9.982 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE H . . rr_1s1o 1
1 . 291 . 2 1 8 NLE HA H 30.186 11.224 8.424 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HA . . rr_1s1o 1
1 . 292 . 2 1 8 NLE HB2 H 28.829 10.543 10.361 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HB2 . . rr_1s1o 1
1 . 293 . 2 1 8 NLE HB3 H 30.297 10.350 11.339 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HB3 . . rr_1s1o 1
1 . 294 . 2 1 8 NLE HD2 H 28.739 13.744 12.213 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HD2 . . rr_1s1o 1
1 . 295 . 2 1 8 NLE HD3 H 27.788 12.323 11.756 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HD3 . . rr_1s1o 1
1 . 296 . 2 1 8 NLE HE1 H 30.223 12.272 13.607 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE1 . . rr_1s1o 1
1 . 297 . 2 1 8 NLE HE2 H 28.532 12.298 14.148 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE2 . . rr_1s1o 1
1 . 298 . 2 1 8 NLE HE3 H 29.144 10.902 13.248 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE3 . . rr_1s1o 1
1 . 299 . 2 1 8 NLE HG2 H 30.759 12.757 11.201 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HG2 . . rr_1s1o 1
1 . 300 . 2 1 8 NLE HG3 H 29.449 12.973 10.028 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HG3 . . rr_1s1o 1
1 . 301 . 2 1 8 NLE N N 32.018 11.168 9.445 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE N . . rr_1s1o 1
1 . 302 . 2 1 8 NLE O O 30.102 8.359 9.504 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE O . . rr_1s1o 1
1 . 303 . 3 2 1 BOC C C 32.917 -1.613 11.442 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C . . rr_1s1o 1
1 . 304 . 3 2 1 BOC C1 C 34.709 -3.023 13.400 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C1 . . rr_1s1o 1
1 . 305 . 3 2 1 BOC C2 C 32.621 -2.067 14.469 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C2 . . rr_1s1o 1
1 . 306 . 3 2 1 BOC C3 C 32.717 -4.435 13.789 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C3 . . rr_1s1o 1
1 . 307 . 3 2 1 BOC CT C 33.172 -3.023 13.399 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC CT . . rr_1s1o 1
1 . 308 . 3 2 1 BOC H11 H 35.102 -2.026 13.199 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H11 . . rr_1s1o 1
1 . 309 . 3 2 1 BOC H12 H 35.081 -3.344 14.373 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H12 . . rr_1s1o 1
1 . 310 . 3 2 1 BOC H13 H 35.079 -3.707 12.636 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H13 . . rr_1s1o 1
1 . 311 . 3 2 1 BOC H21 H 31.544 -1.955 14.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H21 . . rr_1s1o 1
1 . 312 . 3 2 1 BOC H22 H 32.826 -2.463 15.463 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H22 . . rr_1s1o 1
1 . 313 . 3 2 1 BOC H23 H 33.102 -1.092 14.402 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H23 . . rr_1s1o 1
1 . 314 . 3 2 1 BOC H31 H 33.050 -5.153 13.038 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H31 . . rr_1s1o 1
1 . 315 . 3 2 1 BOC H32 H 33.131 -4.721 14.757 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H32 . . rr_1s1o 1
1 . 316 . 3 2 1 BOC H33 H 31.628 -4.469 13.850 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H33 . . rr_1s1o 1
1 . 317 . 3 2 1 BOC O1 O 33.378 -0.643 12.036 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC O1 . . rr_1s1o 1
1 . 318 . 3 2 1 BOC O2 O 32.640 -2.796 12.093 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC O2 . . rr_1s1o 1
1 . 319 . 4 2 1 BOC C C 37.588 22.929 1.117 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C . . rr_1s1o 1
1 . 320 . 4 2 1 BOC C1 C 40.537 23.321 0.466 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C1 . . rr_1s1o 1
1 . 321 . 4 2 1 BOC C2 C 39.200 22.199 -1.377 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C2 . . rr_1s1o 1
1 . 322 . 4 2 1 BOC C3 C 39.622 24.631 -1.423 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C3 . . rr_1s1o 1
1 . 323 . 4 2 1 BOC CT C 39.339 23.447 -0.489 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC CT . . rr_1s1o 1
1 . 324 . 4 2 1 BOC H11 H 40.452 22.435 1.095 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H11 . . rr_1s1o 1
1 . 325 . 4 2 1 BOC H12 H 41.461 23.240 -0.107 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H12 . . rr_1s1o 1
1 . 326 . 4 2 1 BOC H13 H 40.594 24.202 1.105 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H13 . . rr_1s1o 1
1 . 327 . 4 2 1 BOC H21 H 40.083 22.096 -2.008 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H21 . . rr_1s1o 1
1 . 328 . 4 2 1 BOC H22 H 39.112 21.294 -0.778 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H22 . . rr_1s1o 1
1 . 329 . 4 2 1 BOC H23 H 38.323 22.291 -2.017 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H23 . . rr_1s1o 1
1 . 330 . 4 2 1 BOC H31 H 38.793 24.762 -2.119 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H31 . . rr_1s1o 1
1 . 331 . 4 2 1 BOC H32 H 39.731 25.546 -0.838 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H32 . . rr_1s1o 1
1 . 332 . 4 2 1 BOC H33 H 40.538 24.465 -1.991 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H33 . . rr_1s1o 1
1 . 333 . 4 2 1 BOC O1 O 38.094 21.839 1.370 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC O1 . . rr_1s1o 1
1 . 334 . 4 2 1 BOC O2 O 38.131 23.792 0.188 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC O2 . . rr_1s1o 1
2 . 335 . 1 1 1 NLE C C 32.581 0.425 11.045 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE C . . rr_1s1o 1
2 . 336 . 1 1 1 NLE CA C 33.416 -0.307 9.992 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CA . . rr_1s1o 1
2 . 337 . 1 1 1 NLE CB C 32.547 -1.284 9.193 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CB . . rr_1s1o 1
2 . 338 . 1 1 1 NLE CD C 32.483 -2.768 7.122 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CD . . rr_1s1o 1
2 . 339 . 1 1 1 NLE CE C 31.744 -3.924 7.807 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CE . . rr_1s1o 1
2 . 340 . 1 1 1 NLE CG C 33.366 -1.981 8.098 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CG . . rr_1s1o 1
2 . 341 . 1 1 1 NLE HA H 33.832 0.420 9.301 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HA . . rr_1s1o 1
2 . 342 . 1 1 1 NLE HB2 H 32.122 -2.022 9.874 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HB2 . . rr_1s1o 1
2 . 343 . 1 1 1 NLE HB3 H 31.736 -0.722 8.727 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HB3 . . rr_1s1o 1
2 . 344 . 1 1 1 NLE HD2 H 31.759 -2.093 6.662 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HD2 . . rr_1s1o 1
2 . 345 . 1 1 1 NLE HD3 H 33.124 -3.174 6.339 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HD3 . . rr_1s1o 1
2 . 346 . 1 1 1 NLE HE1 H 32.463 -4.565 8.321 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE1 . . rr_1s1o 1
2 . 347 . 1 1 1 NLE HE2 H 31.030 -3.535 8.533 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE2 . . rr_1s1o 1
2 . 348 . 1 1 1 NLE HE3 H 30.983 -4.756 6.772 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE3 . . rr_1s1o 1
2 . 349 . 1 1 1 NLE HG2 H 33.906 -1.222 7.529 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HG2 . . rr_1s1o 1
2 . 350 . 1 1 1 NLE HG3 H 34.094 -2.654 8.553 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HG3 . . rr_1s1o 1
2 . 351 . 1 1 1 NLE N N 34.493 -1.025 10.663 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE N . . rr_1s1o 1
2 . 352 . 1 1 1 NLE O O 32.453 -0.065 12.166 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE O . . rr_1s1o 1
2 . 353 . 1 1 2 NLE C C 31.046 3.820 11.206 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE C . . rr_1s1o 1
2 . 354 . 1 1 2 NLE CA C 31.223 2.368 11.657 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CA . . rr_1s1o 1
2 . 355 . 1 1 2 NLE CB C 29.861 1.691 11.889 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CB . . rr_1s1o 1
2 . 356 . 1 1 2 NLE CD C 27.702 0.841 10.838 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CD . . rr_1s1o 1
2 . 357 . 1 1 2 NLE CE C 27.809 -0.610 11.326 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CE . . rr_1s1o 1
2 . 358 . 1 1 2 NLE CG C 29.075 1.478 10.586 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CG . . rr_1s1o 1
2 . 359 . 1 1 2 NLE H H 32.143 1.952 9.771 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE H . . rr_1s1o 1
2 . 360 . 1 1 2 NLE HA H 31.769 2.386 12.600 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HA . . rr_1s1o 1
2 . 361 . 1 1 2 NLE HB2 H 30.030 0.727 12.366 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HB2 . . rr_1s1o 1
2 . 362 . 1 1 2 NLE HB3 H 29.270 2.305 12.570 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HB3 . . rr_1s1o 1
2 . 363 . 1 1 2 NLE HD2 H 27.152 1.432 11.571 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HD2 . . rr_1s1o 1
2 . 364 . 1 1 2 NLE HD3 H 27.149 0.851 9.897 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HD3 . . rr_1s1o 1
2 . 365 . 1 1 2 NLE HE1 H 28.421 -1.187 10.631 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE1 . . rr_1s1o 1
2 . 366 . 1 1 2 NLE HE2 H 28.263 -0.644 12.316 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE2 . . rr_1s1o 1
2 . 367 . 1 1 2 NLE HE3 H 26.419 -1.244 11.411 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE3 . . rr_1s1o 1
2 . 368 . 1 1 2 NLE HG2 H 28.916 2.442 10.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HG2 . . rr_1s1o 1
2 . 369 . 1 1 2 NLE HG3 H 29.639 0.841 9.904 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HG3 . . rr_1s1o 1
2 . 370 . 1 1 2 NLE N N 32.018 1.590 10.713 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE N . . rr_1s1o 1
2 . 371 . 1 1 2 NLE O O 31.137 4.116 10.016 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE O . . rr_1s1o 1
2 . 372 . 1 1 3 NLE C C 31.731 6.992 12.250 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE C . . rr_1s1o 1
2 . 373 . 1 1 3 NLE CA C 30.511 6.132 11.906 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CA . . rr_1s1o 1
2 . 374 . 1 1 3 NLE CB C 29.298 6.582 12.733 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CB . . rr_1s1o 1
2 . 375 . 1 1 3 NLE CD C 27.553 6.067 10.959 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CD . . rr_1s1o 1
2 . 376 . 1 1 3 NLE CE C 26.109 5.615 10.713 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CE . . rr_1s1o 1
2 . 377 . 1 1 3 NLE CG C 28.006 5.820 12.404 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CG . . rr_1s1o 1
2 . 378 . 1 1 3 NLE H H 30.738 4.392 13.116 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE H . . rr_1s1o 1
2 . 379 . 1 1 3 NLE HA H 30.284 6.286 10.854 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HA . . rr_1s1o 1
2 . 380 . 1 1 3 NLE HB2 H 29.519 6.437 13.790 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HB2 . . rr_1s1o 1
2 . 381 . 1 1 3 NLE HB3 H 29.129 7.648 12.568 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HB3 . . rr_1s1o 1
2 . 382 . 1 1 3 NLE HD2 H 27.607 7.137 10.754 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HD2 . . rr_1s1o 1
2 . 383 . 1 1 3 NLE HD3 H 28.213 5.539 10.272 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HD3 . . rr_1s1o 1
2 . 384 . 1 1 3 NLE HE1 H 25.440 6.114 11.415 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE1 . . rr_1s1o 1
2 . 385 . 1 1 3 NLE HE2 H 25.824 5.906 9.701 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE2 . . rr_1s1o 1
2 . 386 . 1 1 3 NLE HE3 H 25.947 4.099 10.843 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE3 . . rr_1s1o 1
2 . 387 . 1 1 3 NLE HG2 H 28.151 4.753 12.575 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HG2 . . rr_1s1o 1
2 . 388 . 1 1 3 NLE HG3 H 27.229 6.176 13.081 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HG3 . . rr_1s1o 1
2 . 389 . 1 1 3 NLE N N 30.772 4.717 12.155 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE N . . rr_1s1o 1
2 . 390 . 1 1 3 NLE O O 32.553 6.606 13.077 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE O . . rr_1s1o 1
2 . 391 . 1 1 4 NLE C C 33.728 9.360 10.662 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE C . . rr_1s1o 1
2 . 392 . 1 1 4 NLE CA C 32.886 9.145 11.921 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CA . . rr_1s1o 1
2 . 393 . 1 1 4 NLE CB C 32.233 10.438 12.439 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CB . . rr_1s1o 1
2 . 394 . 1 1 4 NLE CD C 32.636 12.725 13.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CD . . rr_1s1o 1
2 . 395 . 1 1 4 NLE CE C 31.560 12.585 14.569 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CE . . rr_1s1o 1
2 . 396 . 1 1 4 NLE CG C 33.256 11.379 13.094 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CG . . rr_1s1o 1
2 . 397 . 1 1 4 NLE H H 31.154 8.440 10.938 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE H . . rr_1s1o 1
2 . 398 . 1 1 4 NLE HA H 33.552 8.777 12.702 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HA . . rr_1s1o 1
2 . 399 . 1 1 4 NLE HB2 H 31.727 10.949 11.619 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HB2 . . rr_1s1o 1
2 . 400 . 1 1 4 NLE HB3 H 31.489 10.166 13.187 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HB3 . . rr_1s1o 1
2 . 401 . 1 1 4 NLE HD2 H 33.429 13.368 13.872 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HD2 . . rr_1s1o 1
2 . 402 . 1 1 4 NLE HD3 H 32.204 13.202 12.606 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HD3 . . rr_1s1o 1
2 . 403 . 1 1 4 NLE HE1 H 30.692 12.053 14.182 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE1 . . rr_1s1o 1
2 . 404 . 1 1 4 NLE HE2 H 31.963 12.049 15.429 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE2 . . rr_1s1o 1
2 . 405 . 1 1 4 NLE HE3 H 31.243 13.578 14.889 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE3 . . rr_1s1o 1
2 . 406 . 1 1 4 NLE HG2 H 33.676 10.901 13.981 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HG2 . . rr_1s1o 1
2 . 407 . 1 1 4 NLE HG3 H 34.069 11.582 12.397 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HG3 . . rr_1s1o 1
2 . 408 . 1 1 4 NLE N N 31.838 8.174 11.641 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE N . . rr_1s1o 1
2 . 409 . 1 1 4 NLE O O 33.782 10.465 10.123 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE O . . rr_1s1o 1
2 . 410 . 1 1 5 NLE C C 34.717 7.702 7.839 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE C . . rr_1s1o 1
2 . 411 . 1 1 5 NLE CA C 35.321 8.371 9.073 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CA . . rr_1s1o 1
2 . 412 . 1 1 5 NLE CB C 36.662 7.740 9.467 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CB . . rr_1s1o 1
2 . 413 . 1 1 5 NLE CD C 37.629 9.917 10.406 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CD . . rr_1s1o 1
2 . 414 . 1 1 5 NLE CE C 38.484 10.492 11.538 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CE . . rr_1s1o 1
2 . 415 . 1 1 5 NLE CG C 37.328 8.436 10.665 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CG . . rr_1s1o 1
2 . 416 . 1 1 5 NLE H H 34.249 7.389 10.620 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE H . . rr_1s1o 1
2 . 417 . 1 1 5 NLE HA H 35.530 9.400 8.812 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HA . . rr_1s1o 1
2 . 418 . 1 1 5 NLE HB2 H 36.502 6.693 9.724 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HB2 . . rr_1s1o 1
2 . 419 . 1 1 5 NLE HB3 H 37.341 7.784 8.614 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HB3 . . rr_1s1o 1
2 . 420 . 1 1 5 NLE HD2 H 38.165 10.027 9.461 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HD2 . . rr_1s1o 1
2 . 421 . 1 1 5 NLE HD3 H 36.700 10.485 10.362 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HD3 . . rr_1s1o 1
2 . 422 . 1 1 5 NLE HE1 H 38.674 11.549 11.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE1 . . rr_1s1o 1
2 . 423 . 1 1 5 NLE HE2 H 37.959 10.391 12.488 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE2 . . rr_1s1o 1
2 . 424 . 1 1 5 NLE HE3 H 39.436 9.964 11.593 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE3 . . rr_1s1o 1
2 . 425 . 1 1 5 NLE HG2 H 36.692 8.351 11.546 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HG2 . . rr_1s1o 1
2 . 426 . 1 1 5 NLE HG3 H 38.268 7.920 10.867 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HG3 . . rr_1s1o 1
2 . 427 . 1 1 5 NLE N N 34.392 8.302 10.193 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE N . . rr_1s1o 1
2 . 428 . 1 1 5 NLE O O 33.817 6.873 7.961 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE O . . rr_1s1o 1
2 . 429 . 1 1 6 NLE C C 34.287 8.401 4.406 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE C . . rr_1s1o 1
2 . 430 . 1 1 6 NLE CA C 34.874 7.393 5.397 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CA . . rr_1s1o 1
2 . 431 . 1 1 6 NLE CB C 36.137 6.717 4.842 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CB . . rr_1s1o 1
2 . 432 . 1 1 6 NLE CD C 37.127 5.213 3.089 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CD . . rr_1s1o 1
2 . 433 . 1 1 6 NLE CE C 36.835 4.353 1.858 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CE . . rr_1s1o 1
2 . 434 . 1 1 6 NLE CG C 35.844 5.884 3.588 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CG . . rr_1s1o 1
2 . 435 . 1 1 6 NLE H H 35.911 8.794 6.612 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE H . . rr_1s1o 1
2 . 436 . 1 1 6 NLE HA H 34.139 6.605 5.567 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HA . . rr_1s1o 1
2 . 437 . 1 1 6 NLE HB2 H 36.884 7.476 4.606 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HB2 . . rr_1s1o 1
2 . 438 . 1 1 6 NLE HB3 H 36.543 6.056 5.608 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HB3 . . rr_1s1o 1
2 . 439 . 1 1 6 NLE HD2 H 37.860 5.977 2.825 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HD2 . . rr_1s1o 1
2 . 440 . 1 1 6 NLE HD3 H 37.543 4.582 3.875 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HD3 . . rr_1s1o 1
2 . 441 . 1 1 6 NLE HE1 H 36.430 4.973 1.057 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE1 . . rr_1s1o 1
2 . 442 . 1 1 6 NLE HE2 H 37.758 3.885 1.513 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE2 . . rr_1s1o 1
2 . 443 . 1 1 6 NLE HE3 H 36.115 3.573 2.110 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE3 . . rr_1s1o 1
2 . 444 . 1 1 6 NLE HG2 H 35.103 5.119 3.825 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HG2 . . rr_1s1o 1
2 . 445 . 1 1 6 NLE HG3 H 35.458 6.526 2.796 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HG3 . . rr_1s1o 1
2 . 446 . 1 1 6 NLE N N 35.224 8.045 6.653 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE N . . rr_1s1o 1
2 . 447 . 1 1 6 NLE O O 35.024 9.196 3.828 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE O . . rr_1s1o 1
2 . 448 . 1 1 7 NLE C C 31.158 9.943 3.793 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE C . . rr_1s1o 1
2 . 449 . 1 1 7 NLE CA C 32.269 9.107 3.163 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CA . . rr_1s1o 1
2 . 450 . 1 1 7 NLE CB C 31.659 8.136 2.143 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CB . . rr_1s1o 1
2 . 451 . 1 1 7 NLE CD C 32.174 6.372 0.382 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CD . . rr_1s1o 1
2 . 452 . 1 1 7 NLE CE C 30.987 5.473 0.742 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CE . . rr_1s1o 1
2 . 453 . 1 1 7 NLE CG C 32.698 7.150 1.594 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CG . . rr_1s1o 1
2 . 454 . 1 1 7 NLE H H 32.411 7.724 4.754 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE H . . rr_1s1o 1
2 . 455 . 1 1 7 NLE HA H 32.957 9.774 2.642 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HA . . rr_1s1o 1
2 . 456 . 1 1 7 NLE HB2 H 30.856 7.577 2.627 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HB2 . . rr_1s1o 1
2 . 457 . 1 1 7 NLE HB3 H 31.237 8.717 1.321 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HB3 . . rr_1s1o 1
2 . 458 . 1 1 7 NLE HD2 H 31.877 7.067 -0.404 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HD2 . . rr_1s1o 1
2 . 459 . 1 1 7 NLE HD3 H 32.980 5.743 0.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HD3 . . rr_1s1o 1
2 . 460 . 1 1 7 NLE HE1 H 31.257 4.809 1.564 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE1 . . rr_1s1o 1
2 . 461 . 1 1 7 NLE HE2 H 30.124 6.073 1.028 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE2 . . rr_1s1o 1
2 . 462 . 1 1 7 NLE HE3 H 30.718 4.869 -0.126 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE3 . . rr_1s1o 1
2 . 463 . 1 1 7 NLE HG2 H 33.585 7.708 1.295 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HG2 . . rr_1s1o 1
2 . 464 . 1 1 7 NLE HG3 H 32.980 6.440 2.373 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HG3 . . rr_1s1o 1
2 . 465 . 1 1 7 NLE N N 32.974 8.347 4.186 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE N . . rr_1s1o 1
2 . 466 . 1 1 7 NLE O O 30.567 9.537 4.793 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE O . . rr_1s1o 1
2 . 467 . 1 1 8 NLE C C 30.402 13.435 3.593 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE C . . rr_1s1o 1
2 . 468 . 1 1 8 NLE CA C 29.819 12.020 3.595 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CA . . rr_1s1o 1
2 . 469 . 1 1 8 NLE CB C 28.608 11.893 2.658 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CB . . rr_1s1o 1
2 . 470 . 1 1 8 NLE CD C 26.762 10.354 1.802 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CD . . rr_1s1o 1
2 . 471 . 1 1 8 NLE CE C 25.578 11.212 2.260 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CE . . rr_1s1o 1
2 . 472 . 1 1 8 NLE CG C 27.985 10.491 2.717 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CG . . rr_1s1o 1
2 . 473 . 1 1 8 NLE H H 31.416 11.366 2.384 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE H . . rr_1s1o 1
2 . 474 . 1 1 8 NLE HA H 29.491 11.805 4.613 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HA . . rr_1s1o 1
2 . 475 . 1 1 8 NLE HB2 H 27.868 12.631 2.969 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HB2 . . rr_1s1o 1
2 . 476 . 1 1 8 NLE HB3 H 28.915 12.115 1.634 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HB3 . . rr_1s1o 1
2 . 477 . 1 1 8 NLE HD2 H 27.034 10.625 0.780 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HD2 . . rr_1s1o 1
2 . 478 . 1 1 8 NLE HD3 H 26.448 9.309 1.809 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HD3 . . rr_1s1o 1
2 . 479 . 1 1 8 NLE HE1 H 25.803 12.272 2.148 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE1 . . rr_1s1o 1
2 . 480 . 1 1 8 NLE HE2 H 24.708 10.977 1.647 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE2 . . rr_1s1o 1
2 . 481 . 1 1 8 NLE HE3 H 25.343 10.997 3.303 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE3 . . rr_1s1o 1
2 . 482 . 1 1 8 NLE HG2 H 28.721 9.757 2.388 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HG2 . . rr_1s1o 1
2 . 483 . 1 1 8 NLE HG3 H 27.700 10.258 3.744 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HG3 . . rr_1s1o 1
2 . 484 . 1 1 8 NLE N N 30.863 11.094 3.189 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE N . . rr_1s1o 1
2 . 485 . 1 1 8 NLE O O 29.903 14.330 2.911 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE O . . rr_1s1o 1
2 . 486 . 2 1 1 NLE C C 34.607 21.344 2.159 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE C . . rr_1s1o 1
2 . 487 . 2 1 1 NLE CA C 35.703 21.090 1.123 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CA . . rr_1s1o 1
2 . 488 . 2 1 1 NLE CB C 37.007 20.600 1.774 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CB . . rr_1s1o 1
2 . 489 . 2 1 1 NLE CD C 38.860 21.037 3.409 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CD . . rr_1s1o 1
2 . 490 . 2 1 1 NLE CE C 39.640 22.072 4.230 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CE . . rr_1s1o 1
2 . 491 . 2 1 1 NLE CG C 37.674 21.659 2.663 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CG . . rr_1s1o 1
2 . 492 . 2 1 1 NLE HA H 35.331 20.297 0.472 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HA . . rr_1s1o 1
2 . 493 . 2 1 1 NLE HB2 H 36.794 19.719 2.377 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HB2 . . rr_1s1o 1
2 . 494 . 2 1 1 NLE HB3 H 37.706 20.316 0.987 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HB3 . . rr_1s1o 1
2 . 495 . 2 1 1 NLE HD2 H 38.503 20.247 4.071 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HD2 . . rr_1s1o 1
2 . 496 . 2 1 1 NLE HD3 H 39.543 20.597 2.680 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HD3 . . rr_1s1o 1
2 . 497 . 2 1 1 NLE HE1 H 40.504 21.574 4.675 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE1 . . rr_1s1o 1
2 . 498 . 2 1 1 NLE HE2 H 40.000 22.867 3.575 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE2 . . rr_1s1o 1
2 . 499 . 2 1 1 NLE HE3 H 38.801 22.681 5.357 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE3 . . rr_1s1o 1
2 . 500 . 2 1 1 NLE HG2 H 38.033 22.486 2.049 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HG2 . . rr_1s1o 1
2 . 501 . 2 1 1 NLE HG3 H 36.953 22.036 3.385 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HG3 . . rr_1s1o 1
2 . 502 . 2 1 1 NLE N N 35.971 22.300 0.354 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE N . . rr_1s1o 1
2 . 503 . 2 1 1 NLE O O 34.230 22.491 2.410 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE O . . rr_1s1o 1
2 . 504 . 2 1 2 NLE C C 32.249 18.930 3.458 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE C . . rr_1s1o 1
2 . 505 . 2 1 2 NLE CA C 32.985 20.250 3.688 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CA . . rr_1s1o 1
2 . 506 . 2 1 2 NLE CB C 33.451 20.398 5.146 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CB . . rr_1s1o 1
2 . 507 . 2 1 2 NLE CD C 34.406 21.917 6.914 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CD . . rr_1s1o 1
2 . 508 . 2 1 2 NLE CE C 35.081 23.267 7.176 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CE . . rr_1s1o 1
2 . 509 . 2 1 2 NLE CG C 34.135 21.743 5.417 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CG . . rr_1s1o 1
2 . 510 . 2 1 2 NLE H H 34.504 19.368 2.509 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE H . . rr_1s1o 1
2 . 511 . 2 1 2 NLE HA H 32.294 21.063 3.455 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HA . . rr_1s1o 1
2 . 512 . 2 1 2 NLE HB2 H 32.571 20.324 5.788 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HB2 . . rr_1s1o 1
2 . 513 . 2 1 2 NLE HB3 H 34.131 19.588 5.407 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HB3 . . rr_1s1o 1
2 . 514 . 2 1 2 NLE HD2 H 33.465 21.872 7.463 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HD2 . . rr_1s1o 1
2 . 515 . 2 1 2 NLE HD3 H 35.058 21.113 7.259 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HD3 . . rr_1s1o 1
2 . 516 . 2 1 2 NLE HE1 H 36.020 23.321 6.625 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE1 . . rr_1s1o 1
2 . 517 . 2 1 2 NLE HE2 H 34.427 24.073 6.840 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE2 . . rr_1s1o 1
2 . 518 . 2 1 2 NLE HE3 H 35.367 23.443 8.668 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE3 . . rr_1s1o 1
2 . 519 . 2 1 2 NLE HG2 H 35.083 21.786 4.882 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HG2 . . rr_1s1o 1
2 . 520 . 2 1 2 NLE HG3 H 33.490 22.554 5.072 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HG3 . . rr_1s1o 1
2 . 521 . 2 1 2 NLE N N 34.102 20.267 2.758 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE N . . rr_1s1o 1
2 . 522 . 2 1 2 NLE O O 32.184 18.082 4.345 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE O . . rr_1s1o 1
2 . 523 . 2 1 3 NLE C C 31.833 16.745 0.881 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE C . . rr_1s1o 1
2 . 524 . 2 1 3 NLE CA C 30.963 17.598 1.807 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CA . . rr_1s1o 1
2 . 525 . 2 1 3 NLE CB C 29.700 18.065 1.075 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CB . . rr_1s1o 1
2 . 526 . 2 1 3 NLE CD C 27.484 19.235 1.283 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CD . . rr_1s1o 1
2 . 527 . 2 1 3 NLE CE C 26.582 20.136 2.136 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CE . . rr_1s1o 1
2 . 528 . 2 1 3 NLE CG C 28.779 18.858 2.010 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CG . . rr_1s1o 1
2 . 529 . 2 1 3 NLE H H 31.882 19.487 1.562 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE H . . rr_1s1o 1
2 . 530 . 2 1 3 NLE HA H 30.634 17.011 2.661 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HA . . rr_1s1o 1
2 . 531 . 2 1 3 NLE HB2 H 29.980 18.682 0.220 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HB2 . . rr_1s1o 1
2 . 532 . 2 1 3 NLE HB3 H 29.163 17.186 0.713 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HB3 . . rr_1s1o 1
2 . 533 . 2 1 3 NLE HD2 H 27.740 19.772 0.369 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HD2 . . rr_1s1o 1
2 . 534 . 2 1 3 NLE HD3 H 26.940 18.330 1.011 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HD3 . . rr_1s1o 1
2 . 535 . 2 1 3 NLE HE1 H 27.129 21.032 2.433 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE1 . . rr_1s1o 1
2 . 536 . 2 1 3 NLE HE2 H 25.727 20.438 1.529 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE2 . . rr_1s1o 1
2 . 537 . 2 1 3 NLE HE3 H 26.058 19.427 3.388 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE3 . . rr_1s1o 1
2 . 538 . 2 1 3 NLE HG2 H 28.548 18.242 2.879 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HG2 . . rr_1s1o 1
2 . 539 . 2 1 3 NLE HG3 H 29.282 19.767 2.341 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HG3 . . rr_1s1o 1
2 . 540 . 2 1 3 NLE N N 31.721 18.758 2.248 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE N . . rr_1s1o 1
2 . 541 . 2 1 3 NLE O O 32.592 17.292 0.080 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE O . . rr_1s1o 1
2 . 542 . 2 1 4 NLE C C 33.052 13.331 0.793 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE C . . rr_1s1o 1
2 . 543 . 2 1 4 NLE CA C 32.356 14.481 0.056 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CA . . rr_1s1o 1
2 . 544 . 2 1 4 NLE CB C 31.321 13.923 -0.932 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CB . . rr_1s1o 1
2 . 545 . 2 1 4 NLE CD C 29.816 14.415 -2.886 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CD . . rr_1s1o 1
2 . 546 . 2 1 4 NLE CE C 29.226 15.513 -3.773 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CE . . rr_1s1o 1
2 . 547 . 2 1 4 NLE CG C 30.721 15.027 -1.813 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CG . . rr_1s1o 1
2 . 548 . 2 1 4 NLE H H 31.087 15.029 1.675 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE H . . rr_1s1o 1
2 . 549 . 2 1 4 NLE HA H 33.100 14.996 -0.546 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HA . . rr_1s1o 1
2 . 550 . 2 1 4 NLE HB2 H 31.818 13.193 -1.572 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HB2 . . rr_1s1o 1
2 . 551 . 2 1 4 NLE HB3 H 30.523 13.419 -0.383 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HB3 . . rr_1s1o 1
2 . 552 . 2 1 4 NLE HD2 H 30.394 13.729 -3.507 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HD2 . . rr_1s1o 1
2 . 553 . 2 1 4 NLE HD3 H 29.005 13.864 -2.409 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HD3 . . rr_1s1o 1
2 . 554 . 2 1 4 NLE HE1 H 30.028 16.061 -4.268 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE1 . . rr_1s1o 1
2 . 555 . 2 1 4 NLE HE2 H 28.583 15.062 -4.530 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE2 . . rr_1s1o 1
2 . 556 . 2 1 4 NLE HE3 H 28.635 16.201 -3.169 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE3 . . rr_1s1o 1
2 . 557 . 2 1 4 NLE HG2 H 30.132 15.710 -1.201 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HG2 . . rr_1s1o 1
2 . 558 . 2 1 4 NLE HG3 H 31.525 15.585 -2.295 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HG3 . . rr_1s1o 1
2 . 559 . 2 1 4 NLE N N 31.700 15.416 0.964 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE N . . rr_1s1o 1
2 . 560 . 2 1 4 NLE O O 32.378 12.451 1.322 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE O . . rr_1s1o 1
2 . 561 . 2 1 5 NLE C C 36.162 12.504 2.314 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE C . . rr_1s1o 1
2 . 562 . 2 1 5 NLE CA C 35.205 12.161 1.170 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CA . . rr_1s1o 1
2 . 563 . 2 1 5 NLE CB C 36.028 11.714 -0.049 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CB . . rr_1s1o 1
2 . 564 . 2 1 5 NLE CD C 34.234 10.220 -1.153 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CD . . rr_1s1o 1
2 . 565 . 2 1 5 NLE CE C 34.982 8.906 -0.912 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CE . . rr_1s1o 1
2 . 566 . 2 1 5 NLE CG C 35.195 11.407 -1.304 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CG . . rr_1s1o 1
2 . 567 . 2 1 5 NLE H H 34.877 14.123 0.437 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE H . . rr_1s1o 1
2 . 568 . 2 1 5 NLE HA H 34.572 11.333 1.488 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HA . . rr_1s1o 1
2 . 569 . 2 1 5 NLE HB2 H 36.720 12.519 -0.304 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HB2 . . rr_1s1o 1
2 . 570 . 2 1 5 NLE HB3 H 36.625 10.842 0.220 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HB3 . . rr_1s1o 1
2 . 571 . 2 1 5 NLE HD2 H 33.525 10.398 -0.344 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HD2 . . rr_1s1o 1
2 . 572 . 2 1 5 NLE HD3 H 33.670 10.125 -2.082 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HD3 . . rr_1s1o 1
2 . 573 . 2 1 5 NLE HE1 H 34.280 8.075 -0.985 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE1 . . rr_1s1o 1
2 . 574 . 2 1 5 NLE HE2 H 35.758 8.773 -1.666 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE2 . . rr_1s1o 1
2 . 575 . 2 1 5 NLE HE3 H 35.433 8.899 0.080 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE3 . . rr_1s1o 1
2 . 576 . 2 1 5 NLE HG2 H 34.622 12.291 -1.588 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HG2 . . rr_1s1o 1
2 . 577 . 2 1 5 NLE HG3 H 35.882 11.189 -2.122 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HG3 . . rr_1s1o 1
2 . 578 . 2 1 5 NLE N N 34.387 13.306 0.782 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE N . . rr_1s1o 1
2 . 579 . 2 1 5 NLE O O 36.801 13.556 2.299 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE O . . rr_1s1o 1
2 . 580 . 2 1 6 NLE C C 36.454 11.322 5.691 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE C . . rr_1s1o 1
2 . 581 . 2 1 6 NLE CA C 37.207 11.686 4.409 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CA . . rr_1s1o 1
2 . 582 . 2 1 6 NLE CB C 38.401 10.745 4.179 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CB . . rr_1s1o 1
2 . 583 . 2 1 6 NLE CD C 40.407 10.167 2.788 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CD . . rr_1s1o 1
2 . 584 . 2 1 6 NLE CE C 41.231 10.514 1.546 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CE . . rr_1s1o 1
2 . 585 . 2 1 6 NLE CG C 39.213 11.115 2.932 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CG . . rr_1s1o 1
2 . 586 . 2 1 6 NLE H H 35.710 10.764 3.249 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE H . . rr_1s1o 1
2 . 587 . 2 1 6 NLE HA H 37.575 12.708 4.522 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HA . . rr_1s1o 1
2 . 588 . 2 1 6 NLE HB2 H 39.057 10.796 5.049 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HB2 . . rr_1s1o 1
2 . 589 . 2 1 6 NLE HB3 H 38.036 9.722 4.079 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HB3 . . rr_1s1o 1
2 . 590 . 2 1 6 NLE HD2 H 41.045 10.241 3.670 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HD2 . . rr_1s1o 1
2 . 591 . 2 1 6 NLE HD3 H 40.046 9.141 2.698 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HD3 . . rr_1s1o 1
2 . 592 . 2 1 6 NLE HE1 H 41.640 11.519 1.642 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE1 . . rr_1s1o 1
2 . 593 . 2 1 6 NLE HE2 H 42.053 9.805 1.446 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE2 . . rr_1s1o 1
2 . 594 . 2 1 6 NLE HE3 H 40.604 10.460 0.655 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE3 . . rr_1s1o 1
2 . 595 . 2 1 6 NLE HG2 H 38.588 11.031 2.042 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HG2 . . rr_1s1o 1
2 . 596 . 2 1 6 NLE HG3 H 39.567 12.143 3.023 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HG3 . . rr_1s1o 1
2 . 597 . 2 1 6 NLE N N 36.290 11.596 3.283 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE N . . rr_1s1o 1
2 . 598 . 2 1 6 NLE O O 36.825 10.388 6.405 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE O . . rr_1s1o 1
2 . 599 . 2 1 7 NLE C C 33.156 11.574 6.866 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE C . . rr_1s1o 1
2 . 600 . 2 1 7 NLE CA C 34.602 11.939 7.197 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CA . . rr_1s1o 1
2 . 601 . 2 1 7 NLE CB C 34.702 13.225 8.028 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CB . . rr_1s1o 1
2 . 602 . 2 1 7 NLE CD C 36.237 14.596 9.522 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CD . . rr_1s1o 1
2 . 603 . 2 1 7 NLE CE C 35.694 14.201 10.900 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CE . . rr_1s1o 1
2 . 604 . 2 1 7 NLE CG C 36.142 13.451 8.506 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CG . . rr_1s1o 1
2 . 605 . 2 1 7 NLE H H 35.097 12.761 5.299 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE H . . rr_1s1o 1
2 . 606 . 2 1 7 NLE HA H 34.989 11.136 7.809 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HA . . rr_1s1o 1
2 . 607 . 2 1 7 NLE HB2 H 34.376 14.080 7.435 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HB2 . . rr_1s1o 1
2 . 608 . 2 1 7 NLE HB3 H 34.047 13.129 8.893 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HB3 . . rr_1s1o 1
2 . 609 . 2 1 7 NLE HD2 H 37.288 14.867 9.637 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HD2 . . rr_1s1o 1
2 . 610 . 2 1 7 NLE HD3 H 35.692 15.464 9.151 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HD3 . . rr_1s1o 1
2 . 611 . 2 1 7 NLE HE1 H 34.623 14.010 10.858 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE1 . . rr_1s1o 1
2 . 612 . 2 1 7 NLE HE2 H 36.205 13.307 11.260 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE2 . . rr_1s1o 1
2 . 613 . 2 1 7 NLE HE3 H 35.873 15.016 11.602 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE3 . . rr_1s1o 1
2 . 614 . 2 1 7 NLE HG2 H 36.534 12.540 8.960 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HG2 . . rr_1s1o 1
2 . 615 . 2 1 7 NLE HG3 H 36.764 13.698 7.645 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HG3 . . rr_1s1o 1
2 . 616 . 2 1 7 NLE N N 35.390 12.068 5.980 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE N . . rr_1s1o 1
2 . 617 . 2 1 7 NLE O O 32.771 11.545 5.701 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE O . . rr_1s1o 1
2 . 618 . 2 1 8 NLE C C 30.660 9.631 8.336 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE C . . rr_1s1o 1
2 . 619 . 2 1 8 NLE CA C 30.931 11.037 7.799 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CA . . rr_1s1o 1
2 . 620 . 2 1 8 NLE CB C 30.158 12.117 8.568 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CB . . rr_1s1o 1
2 . 621 . 2 1 8 NLE CD C 27.903 13.097 9.096 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CD . . rr_1s1o 1
2 . 622 . 2 1 8 NLE CE C 26.395 12.982 8.861 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CE . . rr_1s1o 1
2 . 623 . 2 1 8 NLE CG C 28.646 11.986 8.350 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CG . . rr_1s1o 1
2 . 624 . 2 1 8 NLE H H 32.772 11.285 8.825 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE H . . rr_1s1o 1
2 . 625 . 2 1 8 NLE HA H 30.605 11.089 6.762 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HA . . rr_1s1o 1
2 . 626 . 2 1 8 NLE HB2 H 30.384 12.050 9.634 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HB2 . . rr_1s1o 1
2 . 627 . 2 1 8 NLE HB3 H 30.476 13.095 8.206 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HB3 . . rr_1s1o 1
2 . 628 . 2 1 8 NLE HD2 H 28.105 13.018 10.165 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HD2 . . rr_1s1o 1
2 . 629 . 2 1 8 NLE HD3 H 28.244 14.070 8.741 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HD3 . . rr_1s1o 1
2 . 630 . 2 1 8 NLE HE1 H 26.035 12.017 9.217 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE1 . . rr_1s1o 1
2 . 631 . 2 1 8 NLE HE2 H 25.881 13.776 9.403 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE2 . . rr_1s1o 1
2 . 632 . 2 1 8 NLE HE3 H 26.176 13.079 7.797 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE3 . . rr_1s1o 1
2 . 633 . 2 1 8 NLE HG2 H 28.426 12.060 7.284 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HG2 . . rr_1s1o 1
2 . 634 . 2 1 8 NLE HG3 H 28.299 11.019 8.718 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HG3 . . rr_1s1o 1
2 . 635 . 2 1 8 NLE N N 32.356 11.308 7.899 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE N . . rr_1s1o 1
2 . 636 . 2 1 8 NLE O O 30.508 9.444 9.543 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE O . . rr_1s1o 1
2 . 637 . 3 2 1 BOC C C 35.800 -0.859 10.456 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C . . rr_1s1o 1
2 . 638 . 3 2 1 BOC C1 C 38.621 -0.041 11.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C1 . . rr_1s1o 1
2 . 639 . 3 2 1 BOC C2 C 38.781 -2.420 11.928 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C2 . . rr_1s1o 1
2 . 640 . 3 2 1 BOC C3 C 38.516 -1.879 9.529 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C3 . . rr_1s1o 1
2 . 641 . 3 2 1 BOC CT C 38.105 -1.452 10.947 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC CT . . rr_1s1o 1
2 . 642 . 3 2 1 BOC H11 H 39.711 -0.041 11.298 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H11 . . rr_1s1o 1
2 . 643 . 3 2 1 BOC H12 H 38.302 0.683 10.530 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H12 . . rr_1s1o 1
2 . 644 . 3 2 1 BOC H13 H 38.250 0.268 12.256 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H13 . . rr_1s1o 1
2 . 645 . 3 2 1 BOC H21 H 39.865 -2.385 11.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H21 . . rr_1s1o 1
2 . 646 . 3 2 1 BOC H22 H 38.520 -2.152 12.952 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H22 . . rr_1s1o 1
2 . 647 . 3 2 1 BOC H23 H 38.440 -3.438 11.736 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H23 . . rr_1s1o 1
2 . 648 . 3 2 1 BOC H31 H 38.112 -2.867 9.309 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H31 . . rr_1s1o 1
2 . 649 . 3 2 1 BOC H32 H 38.151 -1.176 8.781 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H32 . . rr_1s1o 1
2 . 650 . 3 2 1 BOC H33 H 39.603 -1.917 9.453 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H33 . . rr_1s1o 1
2 . 651 . 3 2 1 BOC O1 O 36.159 -0.033 9.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC O1 . . rr_1s1o 1
2 . 652 . 3 2 1 BOC O2 O 36.706 -1.604 11.183 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC O2 . . rr_1s1o 1
2 . 653 . 4 2 1 BOC C C 35.846 22.449 -0.966 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C . . rr_1s1o 1
2 . 654 . 4 2 1 BOC C1 C 36.658 25.228 -3.221 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C1 . . rr_1s1o 1
2 . 655 . 4 2 1 BOC C2 C 37.328 22.868 -3.571 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C2 . . rr_1s1o 1
2 . 656 . 4 2 1 BOC C3 C 34.895 23.558 -3.672 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C3 . . rr_1s1o 1
2 . 657 . 4 2 1 BOC CT C 36.243 23.773 -2.965 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC CT . . rr_1s1o 1
2 . 658 . 4 2 1 BOC H11 H 35.909 25.901 -2.803 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H11 . . rr_1s1o 1
2 . 659 . 4 2 1 BOC H12 H 37.615 25.431 -2.738 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H12 . . rr_1s1o 1
2 . 660 . 4 2 1 BOC H13 H 36.753 25.421 -4.290 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H13 . . rr_1s1o 1
2 . 661 . 4 2 1 BOC H21 H 38.272 23.021 -3.048 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H21 . . rr_1s1o 1
2 . 662 . 4 2 1 BOC H22 H 37.049 21.817 -3.495 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H22 . . rr_1s1o 1
2 . 663 . 4 2 1 BOC H23 H 37.464 23.107 -4.626 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H23 . . rr_1s1o 1
2 . 664 . 4 2 1 BOC H31 H 34.967 23.882 -4.711 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H31 . . rr_1s1o 1
2 . 665 . 4 2 1 BOC H32 H 34.616 22.507 -3.674 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H32 . . rr_1s1o 1
2 . 666 . 4 2 1 BOC H33 H 34.117 24.139 -3.177 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H33 . . rr_1s1o 1
2 . 667 . 4 2 1 BOC O1 O 35.442 21.497 -1.627 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC O1 . . rr_1s1o 1
2 . 668 . 4 2 1 BOC O2 O 36.178 23.655 -1.544 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC O2 . . rr_1s1o 1
3 . 669 . 1 1 1 NLE C C 32.509 0.236 10.390 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE C . . rr_1s1o 1
3 . 670 . 1 1 1 NLE CA C 33.118 -0.409 9.143 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CA . . rr_1s1o 1
3 . 671 . 1 1 1 NLE CB C 32.030 -0.705 8.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CB . . rr_1s1o 1
3 . 672 . 1 1 1 NLE CD C 31.605 -1.357 5.679 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CD . . rr_1s1o 1
3 . 673 . 1 1 1 NLE CE C 30.444 -2.306 5.999 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CE . . rr_1s1o 1
3 . 674 . 1 1 1 NLE CG C 32.632 -1.285 6.816 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CG . . rr_1s1o 1
3 . 675 . 1 1 1 NLE HA H 33.829 0.285 8.704 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HA . . rr_1s1o 1
3 . 676 . 1 1 1 NLE HB2 H 31.308 -1.401 8.530 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HB2 . . rr_1s1o 1
3 . 677 . 1 1 1 NLE HB3 H 31.516 0.226 7.859 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HB3 . . rr_1s1o 1
3 . 678 . 1 1 1 NLE HD2 H 31.216 -0.358 5.477 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HD2 . . rr_1s1o 1
3 . 679 . 1 1 1 NLE HD3 H 32.117 -1.715 4.784 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HD3 . . rr_1s1o 1
3 . 680 . 1 1 1 NLE HE1 H 30.836 -3.289 6.264 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE1 . . rr_1s1o 1
3 . 681 . 1 1 1 NLE HE2 H 29.860 -1.916 6.833 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE2 . . rr_1s1o 1
3 . 682 . 1 1 1 NLE HE3 H 29.522 -2.446 4.786 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE3 . . rr_1s1o 1
3 . 683 . 1 1 1 NLE HG2 H 33.449 -0.638 6.491 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HG2 . . rr_1s1o 1
3 . 684 . 1 1 1 NLE HG3 H 33.034 -2.281 7.007 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HG3 . . rr_1s1o 1
3 . 685 . 1 1 1 NLE N N 33.802 -1.647 9.503 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE N . . rr_1s1o 1
3 . 686 . 1 1 1 NLE O O 32.386 -0.421 11.424 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE O . . rr_1s1o 1
3 . 687 . 1 1 2 NLE C C 31.423 3.704 11.200 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE C . . rr_1s1o 1
3 . 688 . 1 1 2 NLE CA C 31.426 2.188 11.397 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CA . . rr_1s1o 1
3 . 689 . 1 1 2 NLE CB C 29.990 1.649 11.537 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CB . . rr_1s1o 1
3 . 690 . 1 1 2 NLE CD C 27.788 1.160 10.429 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CD . . rr_1s1o 1
3 . 691 . 1 1 2 NLE CE C 26.915 1.282 9.174 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CE . . rr_1s1o 1
3 . 692 . 1 1 2 NLE CG C 29.181 1.770 10.237 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CG . . rr_1s1o 1
3 . 693 . 1 1 2 NLE H H 32.274 2.023 9.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE H . . rr_1s1o 1
3 . 694 . 1 1 2 NLE HA H 31.976 1.978 12.314 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HA . . rr_1s1o 1
3 . 695 . 1 1 2 NLE HB2 H 30.027 0.598 11.822 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HB2 . . rr_1s1o 1
3 . 696 . 1 1 2 NLE HB3 H 29.477 2.193 12.331 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HB3 . . rr_1s1o 1
3 . 697 . 1 1 2 NLE HD2 H 27.885 0.106 10.696 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HD2 . . rr_1s1o 1
3 . 698 . 1 1 2 NLE HD3 H 27.287 1.679 11.247 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HD3 . . rr_1s1o 1
3 . 699 . 1 1 2 NLE HE1 H 25.923 0.894 9.411 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE1 . . rr_1s1o 1
3 . 700 . 1 1 2 NLE HE2 H 26.816 2.331 8.894 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE2 . . rr_1s1o 1
3 . 701 . 1 1 2 NLE HE3 H 27.470 0.490 7.985 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE3 . . rr_1s1o 1
3 . 702 . 1 1 2 NLE HG2 H 29.081 2.818 9.954 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HG2 . . rr_1s1o 1
3 . 703 . 1 1 2 NLE HG3 H 29.697 1.234 9.442 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HG3 . . rr_1s1o 1
3 . 704 . 1 1 2 NLE N N 32.110 1.506 10.306 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE N . . rr_1s1o 1
3 . 705 . 1 1 2 NLE O O 31.679 4.192 10.099 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE O . . rr_1s1o 1
3 . 706 . 1 1 3 NLE C C 32.427 6.493 12.408 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE C . . rr_1s1o 1
3 . 707 . 1 1 3 NLE CA C 31.028 5.895 12.248 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CA . . rr_1s1o 1
3 . 708 . 1 1 3 NLE CB C 30.080 6.397 13.345 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CB . . rr_1s1o 1
3 . 709 . 1 1 3 NLE CD C 27.747 6.364 14.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CD . . rr_1s1o 1
3 . 710 . 1 1 3 NLE CE C 26.405 5.626 14.359 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CE . . rr_1s1o 1
3 . 711 . 1 1 3 NLE CG C 28.702 5.728 13.263 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CG . . rr_1s1o 1
3 . 712 . 1 1 3 NLE H H 30.940 3.961 13.146 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE H . . rr_1s1o 1
3 . 713 . 1 1 3 NLE HA H 30.600 6.205 11.300 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HA . . rr_1s1o 1
3 . 714 . 1 1 3 NLE HB2 H 30.514 6.208 14.324 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HB2 . . rr_1s1o 1
3 . 715 . 1 1 3 NLE HB3 H 29.962 7.475 13.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HB3 . . rr_1s1o 1
3 . 716 . 1 1 3 NLE HD2 H 28.210 6.330 15.266 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HD2 . . rr_1s1o 1
3 . 717 . 1 1 3 NLE HD3 H 27.573 7.408 14.013 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HD3 . . rr_1s1o 1
3 . 718 . 1 1 3 NLE HE1 H 26.573 4.585 14.640 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE1 . . rr_1s1o 1
3 . 719 . 1 1 3 NLE HE2 H 25.800 6.099 15.135 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE2 . . rr_1s1o 1
3 . 720 . 1 1 3 NLE HE3 H 25.626 5.677 13.041 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE3 . . rr_1s1o 1
3 . 721 . 1 1 3 NLE HG2 H 28.306 5.855 12.256 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HG2 . . rr_1s1o 1
3 . 722 . 1 1 3 NLE HG3 H 28.793 4.663 13.480 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HG3 . . rr_1s1o 1
3 . 723 . 1 1 3 NLE N N 31.115 4.442 12.268 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE N . . rr_1s1o 1
3 . 724 . 1 1 3 NLE O O 33.199 6.018 13.239 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE O . . rr_1s1o 1
3 . 725 . 1 1 4 NLE C C 34.532 8.412 10.209 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE C . . rr_1s1o 1
3 . 726 . 1 1 4 NLE CA C 34.077 8.146 11.642 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CA . . rr_1s1o 1
3 . 727 . 1 1 4 NLE CB C 34.022 9.472 12.414 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CB . . rr_1s1o 1
3 . 728 . 1 1 4 NLE CD C 33.602 10.642 14.594 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CD . . rr_1s1o 1
3 . 729 . 1 1 4 NLE CE C 33.122 10.486 16.038 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CE . . rr_1s1o 1
3 . 730 . 1 1 4 NLE CG C 33.565 9.295 13.867 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CG . . rr_1s1o 1
3 . 731 . 1 1 4 NLE H H 32.063 7.917 11.003 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE H . . rr_1s1o 1
3 . 732 . 1 1 4 NLE HA H 34.804 7.487 12.120 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HA . . rr_1s1o 1
3 . 733 . 1 1 4 NLE HB2 H 35.018 9.918 12.407 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HB2 . . rr_1s1o 1
3 . 734 . 1 1 4 NLE HB3 H 33.335 10.152 11.907 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HB3 . . rr_1s1o 1
3 . 735 . 1 1 4 NLE HD2 H 34.622 11.031 14.597 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HD2 . . rr_1s1o 1
3 . 736 . 1 1 4 NLE HD3 H 32.953 11.352 14.079 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HD3 . . rr_1s1o 1
3 . 737 . 1 1 4 NLE HE1 H 33.775 9.797 16.573 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE1 . . rr_1s1o 1
3 . 738 . 1 1 4 NLE HE2 H 33.145 11.456 16.537 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE2 . . rr_1s1o 1
3 . 739 . 1 1 4 NLE HE3 H 32.101 10.102 16.053 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE3 . . rr_1s1o 1
3 . 740 . 1 1 4 NLE HG2 H 32.544 8.914 13.890 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HG2 . . rr_1s1o 1
3 . 741 . 1 1 4 NLE HG3 H 34.223 8.585 14.372 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HG3 . . rr_1s1o 1
3 . 742 . 1 1 4 NLE N N 32.757 7.528 11.635 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE N . . rr_1s1o 1
3 . 743 . 1 1 4 NLE O O 33.738 8.875 9.394 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE O . . rr_1s1o 1
3 . 744 . 1 1 5 NLE C C 35.714 7.817 7.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE C . . rr_1s1o 1
3 . 745 . 1 1 5 NLE CA C 36.390 8.539 8.620 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CA . . rr_1s1o 1
3 . 746 . 1 1 5 NLE CB C 37.913 8.345 8.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CB . . rr_1s1o 1
3 . 747 . 1 1 5 NLE CD C 39.846 6.760 8.976 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CD . . rr_1s1o 1
3 . 748 . 1 1 5 NLE CE C 40.248 5.292 9.132 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CE . . rr_1s1o 1
3 . 749 . 1 1 5 NLE CG C 38.326 6.880 8.829 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CG . . rr_1s1o 1
3 . 750 . 1 1 5 NLE H H 36.393 7.720 10.591 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE H . . rr_1s1o 1
3 . 751 . 1 1 5 NLE HA H 36.223 9.605 8.491 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HA . . rr_1s1o 1
3 . 752 . 1 1 5 NLE HB2 H 38.334 8.719 7.714 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HB2 . . rr_1s1o 1
3 . 753 . 1 1 5 NLE HB3 H 38.323 8.936 9.469 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HB3 . . rr_1s1o 1
3 . 754 . 1 1 5 NLE HD2 H 40.334 7.173 8.092 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HD2 . . rr_1s1o 1
3 . 755 . 1 1 5 NLE HD3 H 40.174 7.316 9.856 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HD3 . . rr_1s1o 1
3 . 756 . 1 1 5 NLE HE1 H 39.775 4.867 10.018 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE1 . . rr_1s1o 1
3 . 757 . 1 1 5 NLE HE2 H 39.940 4.725 8.253 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE2 . . rr_1s1o 1
3 . 758 . 1 1 5 NLE HE3 H 41.331 5.221 9.239 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE3 . . rr_1s1o 1
3 . 759 . 1 1 5 NLE HG2 H 37.850 6.456 9.713 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HG2 . . rr_1s1o 1
3 . 760 . 1 1 5 NLE HG3 H 38.017 6.318 7.950 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HG3 . . rr_1s1o 1
3 . 761 . 1 1 5 NLE N N 35.808 8.170 9.904 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE N . . rr_1s1o 1
3 . 762 . 1 1 5 NLE O O 35.213 6.704 7.601 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE O . . rr_1s1o 1
3 . 763 . 1 1 6 NLE C C 34.369 9.045 4.323 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE C . . rr_1s1o 1
3 . 764 . 1 1 6 NLE CA C 35.139 7.933 5.040 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CA . . rr_1s1o 1
3 . 765 . 1 1 6 NLE CB C 36.236 7.350 4.137 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CB . . rr_1s1o 1
3 . 766 . 1 1 6 NLE CD C 37.944 5.468 3.867 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CD . . rr_1s1o 1
3 . 767 . 1 1 6 NLE CE C 37.268 4.716 2.715 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CE . . rr_1s1o 1
3 . 768 . 1 1 6 NLE CG C 36.935 6.153 4.796 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CG . . rr_1s1o 1
3 . 769 . 1 1 6 NLE H H 36.140 9.373 6.220 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE H . . rr_1s1o 1
3 . 770 . 1 1 6 NLE HA H 34.433 7.132 5.262 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HA . . rr_1s1o 1
3 . 771 . 1 1 6 NLE HB2 H 35.762 7.030 3.209 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HB2 . . rr_1s1o 1
3 . 772 . 1 1 6 NLE HB3 H 36.974 8.120 3.905 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HB3 . . rr_1s1o 1
3 . 773 . 1 1 6 NLE HD2 H 38.638 6.207 3.466 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HD2 . . rr_1s1o 1
3 . 774 . 1 1 6 NLE HD3 H 38.511 4.745 4.455 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HD3 . . rr_1s1o 1
3 . 775 . 1 1 6 NLE HE1 H 38.023 4.158 2.161 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE1 . . rr_1s1o 1
3 . 776 . 1 1 6 NLE HE2 H 36.530 4.016 3.108 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE2 . . rr_1s1o 1
3 . 777 . 1 1 6 NLE HE3 H 36.782 5.411 2.031 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE3 . . rr_1s1o 1
3 . 778 . 1 1 6 NLE HG2 H 37.482 6.508 5.668 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HG2 . . rr_1s1o 1
3 . 779 . 1 1 6 NLE HG3 H 36.191 5.426 5.124 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HG3 . . rr_1s1o 1
3 . 780 . 1 1 6 NLE N N 35.715 8.453 6.272 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE N . . rr_1s1o 1
3 . 781 . 1 1 6 NLE O O 34.944 9.812 3.548 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE O . . rr_1s1o 1
3 . 782 . 1 1 7 NLE C C 31.206 10.688 4.884 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE C . . rr_1s1o 1
3 . 783 . 1 1 7 NLE CA C 32.142 10.016 3.883 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CA . . rr_1s1o 1
3 . 784 . 1 1 7 NLE CB C 31.344 9.227 2.835 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CB . . rr_1s1o 1
3 . 785 . 1 1 7 NLE CD C 31.466 8.047 0.583 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CD . . rr_1s1o 1
3 . 786 . 1 1 7 NLE CE C 30.618 6.843 1.001 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CE . . rr_1s1o 1
3 . 787 . 1 1 7 NLE CG C 32.260 8.632 1.756 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CG . . rr_1s1o 1
3 . 788 . 1 1 7 NLE H H 32.663 8.513 5.276 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE H . . rr_1s1o 1
3 . 789 . 1 1 7 NLE HA H 32.696 10.811 3.388 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HA . . rr_1s1o 1
3 . 790 . 1 1 7 NLE HB2 H 30.794 8.431 3.339 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HB2 . . rr_1s1o 1
3 . 791 . 1 1 7 NLE HB3 H 30.628 9.896 2.355 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HB3 . . rr_1s1o 1
3 . 792 . 1 1 7 NLE HD2 H 30.822 8.815 0.152 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HD2 . . rr_1s1o 1
3 . 793 . 1 1 7 NLE HD3 H 32.174 7.721 -0.182 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HD3 . . rr_1s1o 1
3 . 794 . 1 1 7 NLE HE1 H 31.249 6.094 1.480 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE1 . . rr_1s1o 1
3 . 795 . 1 1 7 NLE HE2 H 29.830 7.149 1.689 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE2 . . rr_1s1o 1
3 . 796 . 1 1 7 NLE HE3 H 30.156 6.402 0.117 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE3 . . rr_1s1o 1
3 . 797 . 1 1 7 NLE HG2 H 32.905 9.422 1.368 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HG2 . . rr_1s1o 1
3 . 798 . 1 1 7 NLE HG3 H 32.887 7.851 2.187 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HG3 . . rr_1s1o 1
3 . 799 . 1 1 7 NLE N N 33.062 9.122 4.568 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE N . . rr_1s1o 1
3 . 800 . 1 1 7 NLE O O 31.102 10.264 6.032 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE O . . rr_1s1o 1
3 . 801 . 1 1 8 NLE C C 29.992 14.035 4.806 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE C . . rr_1s1o 1
3 . 802 . 1 1 8 NLE CA C 29.643 12.597 5.190 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CA . . rr_1s1o 1
3 . 803 . 1 1 8 NLE CB C 28.179 12.253 4.879 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CB . . rr_1s1o 1
3 . 804 . 1 1 8 NLE CD C 26.334 10.562 5.138 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CD . . rr_1s1o 1
3 . 805 . 1 1 8 NLE CE C 25.968 9.181 5.684 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CE . . rr_1s1o 1
3 . 806 . 1 1 8 NLE CG C 27.821 10.845 5.372 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CG . . rr_1s1o 1
3 . 807 . 1 1 8 NLE H H 30.659 11.976 3.453 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE H . . rr_1s1o 1
3 . 808 . 1 1 8 NLE HA H 29.807 12.479 6.261 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HA . . rr_1s1o 1
3 . 809 . 1 1 8 NLE HB2 H 27.539 12.978 5.385 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HB2 . . rr_1s1o 1
3 . 810 . 1 1 8 NLE HB3 H 28.003 12.321 3.805 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HB3 . . rr_1s1o 1
3 . 811 . 1 1 8 NLE HD2 H 25.731 11.316 5.646 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HD2 . . rr_1s1o 1
3 . 812 . 1 1 8 NLE HD3 H 26.120 10.597 4.069 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HD3 . . rr_1s1o 1
3 . 813 . 1 1 8 NLE HE1 H 26.565 8.413 5.191 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE1 . . rr_1s1o 1
3 . 814 . 1 1 8 NLE HE2 H 26.153 9.151 6.757 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE2 . . rr_1s1o 1
3 . 815 . 1 1 8 NLE HE3 H 24.911 8.984 5.499 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE3 . . rr_1s1o 1
3 . 816 . 1 1 8 NLE HG2 H 28.411 10.102 4.835 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HG2 . . rr_1s1o 1
3 . 817 . 1 1 8 NLE HG3 H 28.041 10.769 6.438 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HG3 . . rr_1s1o 1
3 . 818 . 1 1 8 NLE N N 30.529 11.738 4.427 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE N . . rr_1s1o 1
3 . 819 . 1 1 8 NLE O O 29.276 14.680 4.038 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE O . . rr_1s1o 1
3 . 820 . 2 1 1 NLE C C 34.889 21.801 1.173 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE C . . rr_1s1o 1
3 . 821 . 2 1 1 NLE CA C 36.348 21.862 1.638 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CA . . rr_1s1o 1
3 . 822 . 2 1 1 NLE CB C 36.472 22.630 2.961 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CB . . rr_1s1o 1
3 . 823 . 2 1 1 NLE CD C 38.009 23.311 4.835 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CD . . rr_1s1o 1
3 . 824 . 2 1 1 NLE CE C 39.369 23.102 5.514 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CE . . rr_1s1o 1
3 . 825 . 2 1 1 NLE CG C 37.905 22.561 3.503 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CG . . rr_1s1o 1
3 . 826 . 2 1 1 NLE HA H 36.699 20.848 1.808 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HA . . rr_1s1o 1
3 . 827 . 2 1 1 NLE HB2 H 36.180 23.671 2.812 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HB2 . . rr_1s1o 1
3 . 828 . 2 1 1 NLE HB3 H 35.803 22.181 3.696 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HB3 . . rr_1s1o 1
3 . 829 . 2 1 1 NLE HD2 H 37.844 24.376 4.668 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HD2 . . rr_1s1o 1
3 . 830 . 2 1 1 NLE HD3 H 37.236 22.942 5.511 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HD3 . . rr_1s1o 1
3 . 831 . 2 1 1 NLE HE1 H 39.360 23.628 6.470 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE1 . . rr_1s1o 1
3 . 832 . 2 1 1 NLE HE2 H 39.522 22.039 5.706 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE2 . . rr_1s1o 1
3 . 833 . 2 1 1 NLE HE3 H 40.534 23.637 4.676 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE3 . . rr_1s1o 1
3 . 834 . 2 1 1 NLE HG2 H 38.177 21.515 3.654 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HG2 . . rr_1s1o 1
3 . 835 . 2 1 1 NLE HG3 H 38.589 23.006 2.780 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HG3 . . rr_1s1o 1
3 . 836 . 2 1 1 NLE N N 37.180 22.500 0.623 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE N . . rr_1s1o 1
3 . 837 . 2 1 1 NLE O O 34.533 22.421 0.168 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE O . . rr_1s1o 1
3 . 838 . 2 1 2 NLE C C 32.051 19.662 2.151 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE C . . rr_1s1o 1
3 . 839 . 2 1 2 NLE CA C 32.598 21.006 1.665 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CA . . rr_1s1o 1
3 . 840 . 2 1 2 NLE CB C 31.864 22.130 2.418 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CB . . rr_1s1o 1
3 . 841 . 2 1 2 NLE CD C 31.473 24.590 2.773 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CD . . rr_1s1o 1
3 . 842 . 2 1 2 NLE CE C 31.883 26.022 2.406 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CE . . rr_1s1o 1
3 . 843 . 2 1 2 NLE CG C 32.388 23.543 2.129 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CG . . rr_1s1o 1
3 . 844 . 2 1 2 NLE H H 34.412 20.520 2.671 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE H . . rr_1s1o 1
3 . 845 . 2 1 2 NLE HA H 32.409 21.092 0.596 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HA . . rr_1s1o 1
3 . 846 . 2 1 2 NLE HB2 H 30.810 22.084 2.138 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HB2 . . rr_1s1o 1
3 . 847 . 2 1 2 NLE HB3 H 31.940 21.948 3.491 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HB3 . . rr_1s1o 1
3 . 848 . 2 1 2 NLE HD2 H 30.452 24.433 2.421 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HD2 . . rr_1s1o 1
3 . 849 . 2 1 2 NLE HD3 H 31.488 24.473 3.858 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HD3 . . rr_1s1o 1
3 . 850 . 2 1 2 NLE HE1 H 31.878 26.140 1.321 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE1 . . rr_1s1o 1
3 . 851 . 2 1 2 NLE HE2 H 31.148 26.708 2.830 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE2 . . rr_1s1o 1
3 . 852 . 2 1 2 NLE HE3 H 33.263 26.396 2.953 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE3 . . rr_1s1o 1
3 . 853 . 2 1 2 NLE HG2 H 33.391 23.642 2.541 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HG2 . . rr_1s1o 1
3 . 854 . 2 1 2 NLE HG3 H 32.417 23.714 1.055 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HG3 . . rr_1s1o 1
3 . 855 . 2 1 2 NLE N N 34.038 21.074 1.902 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE N . . rr_1s1o 1
3 . 856 . 2 1 2 NLE O O 32.667 19.013 2.992 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE O . . rr_1s1o 1
3 . 857 . 2 1 3 NLE C C 30.638 16.854 1.207 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE C . . rr_1s1o 1
3 . 858 . 2 1 3 NLE CA C 30.217 18.032 2.096 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CA . . rr_1s1o 1
3 . 859 . 2 1 3 NLE CB C 28.692 18.229 2.093 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CB . . rr_1s1o 1
3 . 860 . 2 1 3 NLE CD C 28.711 19.672 4.205 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CD . . rr_1s1o 1
3 . 861 . 2 1 3 NLE CE C 28.180 20.971 4.818 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CE . . rr_1s1o 1
3 . 862 . 2 1 3 NLE CG C 28.235 19.539 2.753 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CG . . rr_1s1o 1
3 . 863 . 2 1 3 NLE H H 30.441 19.813 0.933 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE H . . rr_1s1o 1
3 . 864 . 2 1 3 NLE HA H 30.505 17.819 3.121 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HA . . rr_1s1o 1
3 . 865 . 2 1 3 NLE HB2 H 28.330 18.226 1.066 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HB2 . . rr_1s1o 1
3 . 866 . 2 1 3 NLE HB3 H 28.229 17.390 2.615 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HB3 . . rr_1s1o 1
3 . 867 . 2 1 3 NLE HD2 H 28.348 18.821 4.784 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HD2 . . rr_1s1o 1
3 . 868 . 2 1 3 NLE HD3 H 29.799 19.694 4.242 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HD3 . . rr_1s1o 1
3 . 869 . 2 1 3 NLE HE1 H 28.526 21.821 4.227 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE1 . . rr_1s1o 1
3 . 870 . 2 1 3 NLE HE2 H 27.089 20.959 4.817 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE2 . . rr_1s1o 1
3 . 871 . 2 1 3 NLE HE3 H 28.680 21.129 6.256 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE3 . . rr_1s1o 1
3 . 872 . 2 1 3 NLE HG2 H 28.593 20.391 2.174 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HG2 . . rr_1s1o 1
3 . 873 . 2 1 3 NLE HG3 H 27.144 19.560 2.739 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HG3 . . rr_1s1o 1
3 . 874 . 2 1 3 NLE N N 30.883 19.253 1.655 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE N . . rr_1s1o 1
3 . 875 . 2 1 3 NLE O O 31.312 17.057 0.202 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE O . . rr_1s1o 1
3 . 876 . 2 1 4 NLE C C 31.482 13.521 1.237 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE C . . rr_1s1o 1
3 . 877 . 2 1 4 NLE CA C 30.410 14.463 0.685 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CA . . rr_1s1o 1
3 . 878 . 2 1 4 NLE CB C 29.062 13.739 0.540 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CB . . rr_1s1o 1
3 . 879 . 2 1 4 NLE CD C 26.695 13.860 -0.302 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CD . . rr_1s1o 1
3 . 880 . 2 1 4 NLE CE C 25.661 14.722 -1.030 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CE . . rr_1s1o 1
3 . 881 . 2 1 4 NLE CG C 28.021 14.613 -0.167 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CG . . rr_1s1o 1
3 . 882 . 2 1 4 NLE H H 29.738 15.487 2.423 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE H . . rr_1s1o 1
3 . 883 . 2 1 4 NLE HA H 30.723 14.758 -0.318 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HA . . rr_1s1o 1
3 . 884 . 2 1 4 NLE HB2 H 29.212 12.830 -0.046 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HB2 . . rr_1s1o 1
3 . 885 . 2 1 4 NLE HB3 H 28.690 13.458 1.527 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HB3 . . rr_1s1o 1
3 . 886 . 2 1 4 NLE HD2 H 26.851 12.939 -0.866 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HD2 . . rr_1s1o 1
3 . 887 . 2 1 4 NLE HD3 H 26.315 13.608 0.690 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HD3 . . rr_1s1o 1
3 . 888 . 2 1 4 NLE HE1 H 24.722 14.174 -1.111 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE1 . . rr_1s1o 1
3 . 889 . 2 1 4 NLE HE2 H 25.488 15.645 -0.475 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE2 . . rr_1s1o 1
3 . 890 . 2 1 4 NLE HE3 H 26.018 14.965 -2.032 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE3 . . rr_1s1o 1
3 . 891 . 2 1 4 NLE HG2 H 27.852 15.529 0.401 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HG2 . . rr_1s1o 1
3 . 892 . 2 1 4 NLE HG3 H 28.389 14.870 -1.160 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HG3 . . rr_1s1o 1
3 . 893 . 2 1 4 NLE N N 30.226 15.630 1.543 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE N . . rr_1s1o 1
3 . 894 . 2 1 4 NLE O O 31.146 12.497 1.826 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE O . . rr_1s1o 1
3 . 895 . 2 1 5 NLE C C 34.593 13.493 2.635 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE C . . rr_1s1o 1
3 . 896 . 2 1 5 NLE CA C 33.868 12.943 1.405 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CA . . rr_1s1o 1
3 . 897 . 2 1 5 NLE CB C 34.816 12.802 0.205 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CB . . rr_1s1o 1
3 . 898 . 2 1 5 NLE CD C 36.657 11.469 -0.879 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CD . . rr_1s1o 1
3 . 899 . 2 1 5 NLE CE C 37.593 10.267 -0.731 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CE . . rr_1s1o 1
3 . 900 . 2 1 5 NLE CG C 35.779 11.617 0.366 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CG . . rr_1s1o 1
3 . 901 . 2 1 5 NLE H H 33.010 14.724 0.618 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE H . . rr_1s1o 1
3 . 902 . 2 1 5 NLE HA H 33.488 11.948 1.630 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HA . . rr_1s1o 1
3 . 903 . 2 1 5 NLE HB2 H 34.219 12.632 -0.692 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HB2 . . rr_1s1o 1
3 . 904 . 2 1 5 NLE HB3 H 35.383 13.726 0.075 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HB3 . . rr_1s1o 1
3 . 905 . 2 1 5 NLE HD2 H 36.026 11.321 -1.756 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HD2 . . rr_1s1o 1
3 . 906 . 2 1 5 NLE HD3 H 37.253 12.372 -1.014 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HD3 . . rr_1s1o 1
3 . 907 . 2 1 5 NLE HE1 H 37.009 9.353 -0.618 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE1 . . rr_1s1o 1
3 . 908 . 2 1 5 NLE HE2 H 38.218 10.181 -1.621 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE2 . . rr_1s1o 1
3 . 909 . 2 1 5 NLE HE3 H 38.232 10.394 0.142 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE3 . . rr_1s1o 1
3 . 910 . 2 1 5 NLE HG2 H 36.426 11.767 1.230 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HG2 . . rr_1s1o 1
3 . 911 . 2 1 5 NLE HG3 H 35.205 10.700 0.509 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HG3 . . rr_1s1o 1
3 . 912 . 2 1 5 NLE N N 32.765 13.831 1.040 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE N . . rr_1s1o 1
3 . 913 . 2 1 5 NLE O O 34.596 14.702 2.846 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE O . . rr_1s1o 1
3 . 914 . 2 1 6 NLE C C 35.724 12.171 5.780 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE C . . rr_1s1o 1
3 . 915 . 2 1 6 NLE CA C 36.065 13.016 4.554 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CA . . rr_1s1o 1
3 . 916 . 2 1 6 NLE CB C 37.543 12.861 4.169 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CB . . rr_1s1o 1
3 . 917 . 2 1 6 NLE CD C 39.476 13.840 2.844 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CD . . rr_1s1o 1
3 . 918 . 2 1 6 NLE CE C 39.874 12.564 2.097 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CE . . rr_1s1o 1
3 . 919 . 2 1 6 NLE CG C 37.970 13.904 3.127 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CG . . rr_1s1o 1
3 . 920 . 2 1 6 NLE H H 35.138 11.628 3.249 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE H . . rr_1s1o 1
3 . 921 . 2 1 6 NLE HA H 35.902 14.058 4.827 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HA . . rr_1s1o 1
3 . 922 . 2 1 6 NLE HB2 H 38.151 13.000 5.065 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HB2 . . rr_1s1o 1
3 . 923 . 2 1 6 NLE HB3 H 37.707 11.852 3.790 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HB3 . . rr_1s1o 1
3 . 924 . 2 1 6 NLE HD2 H 39.746 14.695 2.224 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HD2 . . rr_1s1o 1
3 . 925 . 2 1 6 NLE HD3 H 40.033 13.907 3.780 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HD3 . . rr_1s1o 1
3 . 926 . 2 1 6 NLE HE1 H 39.706 11.685 2.719 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE1 . . rr_1s1o 1
3 . 927 . 2 1 6 NLE HE2 H 39.295 12.476 1.178 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE2 . . rr_1s1o 1
3 . 928 . 2 1 6 NLE HE3 H 40.933 12.613 1.844 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE3 . . rr_1s1o 1
3 . 929 . 2 1 6 NLE HG2 H 37.421 13.763 2.196 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HG2 . . rr_1s1o 1
3 . 930 . 2 1 6 NLE HG3 H 37.739 14.898 3.514 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HG3 . . rr_1s1o 1
3 . 931 . 2 1 6 NLE N N 35.223 12.625 3.430 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE N . . rr_1s1o 1
3 . 932 . 2 1 6 NLE O O 36.367 11.154 6.035 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE O . . rr_1s1o 1
3 . 933 . 2 1 7 NLE C C 32.797 12.015 7.941 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE C . . rr_1s1o 1
3 . 934 . 2 1 7 NLE CA C 34.314 11.963 7.790 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CA . . rr_1s1o 1
3 . 935 . 2 1 7 NLE CB C 34.978 12.650 8.994 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CB . . rr_1s1o 1
3 . 936 . 2 1 7 NLE CD C 37.103 13.244 10.200 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CD . . rr_1s1o 1
3 . 937 . 2 1 7 NLE CE C 38.619 13.403 10.072 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CE . . rr_1s1o 1
3 . 938 . 2 1 7 NLE CG C 36.504 12.759 8.876 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CG . . rr_1s1o 1
3 . 939 . 2 1 7 NLE H H 34.211 13.429 6.268 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE H . . rr_1s1o 1
3 . 940 . 2 1 7 NLE HA H 34.596 10.912 7.763 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HA . . rr_1s1o 1
3 . 941 . 2 1 7 NLE HB2 H 34.565 13.655 9.102 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HB2 . . rr_1s1o 1
3 . 942 . 2 1 7 NLE HB3 H 34.732 12.080 9.891 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HB3 . . rr_1s1o 1
3 . 943 . 2 1 7 NLE HD2 H 36.664 14.205 10.472 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HD2 . . rr_1s1o 1
3 . 944 . 2 1 7 NLE HD3 H 36.886 12.520 10.987 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HD3 . . rr_1s1o 1
3 . 945 . 2 1 7 NLE HE1 H 38.853 14.139 9.302 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE1 . . rr_1s1o 1
3 . 946 . 2 1 7 NLE HE2 H 39.032 13.741 11.023 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE2 . . rr_1s1o 1
3 . 947 . 2 1 7 NLE HE3 H 39.074 12.448 9.806 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE3 . . rr_1s1o 1
3 . 948 . 2 1 7 NLE HG2 H 36.930 11.788 8.630 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HG2 . . rr_1s1o 1
3 . 949 . 2 1 7 NLE HG3 H 36.759 13.471 8.090 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HG3 . . rr_1s1o 1
3 . 950 . 2 1 7 NLE N N 34.725 12.600 6.550 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE N . . rr_1s1o 1
3 . 951 . 2 1 7 NLE O O 32.130 12.833 7.309 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE O . . rr_1s1o 1
3 . 952 . 2 1 8 NLE C C 30.700 9.463 9.388 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE C . . rr_1s1o 1
3 . 953 . 2 1 8 NLE CA C 30.889 10.963 9.157 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CA . . rr_1s1o 1
3 . 954 . 2 1 8 NLE CB C 30.551 11.783 10.412 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CB . . rr_1s1o 1
3 . 955 . 2 1 8 NLE CD C 30.127 14.124 11.324 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CD . . rr_1s1o 1
3 . 956 . 2 1 8 NLE CE C 30.880 13.889 12.637 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CE . . rr_1s1o 1
3 . 957 . 2 1 8 NLE CG C 30.697 13.292 10.169 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CG . . rr_1s1o 1
3 . 958 . 2 1 8 NLE H H 32.932 10.492 9.238 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE H . . rr_1s1o 1
3 . 959 . 2 1 8 NLE HA H 30.240 11.276 8.339 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HA . . rr_1s1o 1
3 . 960 . 2 1 8 NLE HB2 H 29.518 11.569 10.692 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HB2 . . rr_1s1o 1
3 . 961 . 2 1 8 NLE HB3 H 31.206 11.477 11.228 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HB3 . . rr_1s1o 1
3 . 962 . 2 1 8 NLE HD2 H 30.212 15.179 11.061 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HD2 . . rr_1s1o 1
3 . 963 . 2 1 8 NLE HD3 H 29.072 13.887 11.464 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HD3 . . rr_1s1o 1
3 . 964 . 2 1 8 NLE HE1 H 30.508 14.581 13.393 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE1 . . rr_1s1o 1
3 . 965 . 2 1 8 NLE HE2 H 30.722 12.871 12.993 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE2 . . rr_1s1o 1
3 . 966 . 2 1 8 NLE HE3 H 31.947 14.062 12.493 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE3 . . rr_1s1o 1
3 . 967 . 2 1 8 NLE HG2 H 31.748 13.548 10.034 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HG2 . . rr_1s1o 1
3 . 968 . 2 1 8 NLE HG3 H 30.155 13.557 9.260 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HG3 . . rr_1s1o 1
3 . 969 . 2 1 8 NLE N N 32.285 11.139 8.801 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE N . . rr_1s1o 1
3 . 970 . 2 1 8 NLE O O 30.589 9.004 10.525 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE O . . rr_1s1o 1
3 . 971 . 3 2 1 BOC C C 35.113 -1.758 9.724 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C . . rr_1s1o 1
3 . 972 . 3 2 1 BOC C1 C 37.288 -4.628 10.447 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C1 . . rr_1s1o 1
3 . 973 . 3 2 1 BOC C2 C 37.796 -2.824 8.834 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C2 . . rr_1s1o 1
3 . 974 . 3 2 1 BOC C3 C 37.676 -2.356 11.325 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C3 . . rr_1s1o 1
3 . 975 . 3 2 1 BOC CT C 37.067 -3.139 10.151 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC CT . . rr_1s1o 1
3 . 976 . 3 2 1 BOC H11 H 36.777 -4.902 11.371 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H11 . . rr_1s1o 1
3 . 977 . 3 2 1 BOC H12 H 36.883 -5.232 9.634 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H12 . . rr_1s1o 1
3 . 978 . 3 2 1 BOC H13 H 38.351 -4.846 10.553 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H13 . . rr_1s1o 1
3 . 979 . 3 2 1 BOC H21 H 37.783 -1.757 8.618 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H21 . . rr_1s1o 1
3 . 980 . 3 2 1 BOC H22 H 38.837 -3.140 8.902 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H22 . . rr_1s1o 1
3 . 981 . 3 2 1 BOC H23 H 37.319 -3.357 8.011 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H23 . . rr_1s1o 1
3 . 982 . 3 2 1 BOC H31 H 38.733 -2.607 11.424 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H31 . . rr_1s1o 1
3 . 983 . 3 2 1 BOC H32 H 37.599 -1.280 11.177 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H32 . . rr_1s1o 1
3 . 984 . 3 2 1 BOC H33 H 37.169 -2.626 12.250 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H33 . . rr_1s1o 1
3 . 985 . 3 2 1 BOC O1 O 35.804 -0.746 9.639 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC O1 . . rr_1s1o 1
3 . 986 . 3 2 1 BOC O2 O 35.651 -2.987 10.042 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC O2 . . rr_1s1o 1
3 . 987 . 4 2 1 BOC C C 37.874 21.846 -0.310 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C . . rr_1s1o 1
3 . 988 . 4 2 1 BOC C1 C 38.765 20.883 -3.086 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C1 . . rr_1s1o 1
3 . 989 . 4 2 1 BOC C2 C 40.099 22.957 -3.014 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C2 . . rr_1s1o 1
3 . 990 . 4 2 1 BOC C3 C 40.625 21.168 -1.387 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C3 . . rr_1s1o 1
3 . 991 . 4 2 1 BOC CT C 39.477 21.863 -2.136 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC CT . . rr_1s1o 1
3 . 992 . 4 2 1 BOC H11 H 37.938 21.383 -3.588 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H11 . . rr_1s1o 1
3 . 993 . 4 2 1 BOC H12 H 39.466 20.532 -3.843 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H12 . . rr_1s1o 1
3 . 994 . 4 2 1 BOC H13 H 38.384 20.011 -2.559 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H13 . . rr_1s1o 1
3 . 995 . 4 2 1 BOC H21 H 40.621 23.683 -2.389 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H21 . . rr_1s1o 1
3 . 996 . 4 2 1 BOC H22 H 40.808 22.526 -3.721 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H22 . . rr_1s1o 1
3 . 997 . 4 2 1 BOC H23 H 39.315 23.474 -3.570 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H23 . . rr_1s1o 1
3 . 998 . 4 2 1 BOC H31 H 40.256 20.333 -0.793 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H31 . . rr_1s1o 1
3 . 999 . 4 2 1 BOC H32 H 41.355 20.784 -2.099 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H32 . . rr_1s1o 1
3 . 1000 . 4 2 1 BOC H33 H 41.118 21.880 -0.724 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H33 . . rr_1s1o 1
3 . 1001 . 4 2 1 BOC O1 O 37.836 20.619 -0.306 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC O1 . . rr_1s1o 1
3 . 1002 . 4 2 1 BOC O2 O 38.601 22.555 -1.244 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC O2 . . rr_1s1o 1
4 . 1003 . 1 1 1 NLE C C 31.673 -0.058 9.606 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE C . . rr_1s1o 1
4 . 1004 . 1 1 1 NLE CA C 33.018 -0.236 10.307 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CA . . rr_1s1o 1
4 . 1005 . 1 1 1 NLE CB C 34.162 -0.486 9.311 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CB . . rr_1s1o 1
4 . 1006 . 1 1 1 NLE CD C 35.104 -1.929 7.490 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CD . . rr_1s1o 1
4 . 1007 . 1 1 1 NLE CE C 35.027 -3.287 6.786 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CE . . rr_1s1o 1
4 . 1008 . 1 1 1 NLE CG C 34.076 -1.854 8.621 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CG . . rr_1s1o 1
4 . 1009 . 1 1 1 NLE HA H 33.207 0.716 10.801 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HA . . rr_1s1o 1
4 . 1010 . 1 1 1 NLE HB2 H 34.149 0.298 8.554 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HB2 . . rr_1s1o 1
4 . 1011 . 1 1 1 NLE HB3 H 35.113 -0.428 9.843 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HB3 . . rr_1s1o 1
4 . 1012 . 1 1 1 NLE HD2 H 34.904 -1.138 6.765 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HD2 . . rr_1s1o 1
4 . 1013 . 1 1 1 NLE HD3 H 36.105 -1.790 7.901 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HD3 . . rr_1s1o 1
4 . 1014 . 1 1 1 NLE HE1 H 35.233 -4.083 7.503 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE1 . . rr_1s1o 1
4 . 1015 . 1 1 1 NLE HE2 H 34.027 -3.430 6.375 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE2 . . rr_1s1o 1
4 . 1016 . 1 1 1 NLE HE3 H 36.050 -3.357 5.650 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE3 . . rr_1s1o 1
4 . 1017 . 1 1 1 NLE HG2 H 34.283 -2.646 9.342 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HG2 . . rr_1s1o 1
4 . 1018 . 1 1 1 NLE HG3 H 33.080 -2.006 8.206 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HG3 . . rr_1s1o 1
4 . 1019 . 1 1 1 NLE N N 32.975 -1.321 11.279 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE N . . rr_1s1o 1
4 . 1020 . 1 1 1 NLE O O 30.761 -0.874 9.769 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE O . . rr_1s1o 1
4 . 1021 . 1 1 2 NLE C C 30.357 3.002 8.271 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE C . . rr_1s1o 1
4 . 1022 . 1 1 2 NLE CA C 30.420 1.482 8.088 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CA . . rr_1s1o 1
4 . 1023 . 1 1 2 NLE CB C 30.566 1.117 6.599 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CB . . rr_1s1o 1
4 . 1024 . 1 1 2 NLE CD C 29.496 -1.197 6.652 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CD . . rr_1s1o 1
4 . 1025 . 1 1 2 NLE CE C 29.753 -2.680 6.370 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CE . . rr_1s1o 1
4 . 1026 . 1 1 2 NLE CG C 30.746 -0.379 6.312 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CG . . rr_1s1o 1
4 . 1027 . 1 1 2 NLE H H 32.400 1.611 8.761 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE H . . rr_1s1o 1
4 . 1028 . 1 1 2 NLE HA H 29.504 1.053 8.496 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HA . . rr_1s1o 1
4 . 1029 . 1 1 2 NLE HB2 H 29.688 1.474 6.058 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HB2 . . rr_1s1o 1
4 . 1030 . 1 1 2 NLE HB3 H 31.440 1.637 6.203 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HB3 . . rr_1s1o 1
4 . 1031 . 1 1 2 NLE HD2 H 29.241 -1.079 7.704 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HD2 . . rr_1s1o 1
4 . 1032 . 1 1 2 NLE HD3 H 28.659 -0.850 6.044 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HD3 . . rr_1s1o 1
4 . 1033 . 1 1 2 NLE HE1 H 29.998 -2.819 5.316 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE1 . . rr_1s1o 1
4 . 1034 . 1 1 2 NLE HE2 H 30.589 -3.028 6.980 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE2 . . rr_1s1o 1
4 . 1035 . 1 1 2 NLE HE3 H 28.512 -3.505 6.712 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE3 . . rr_1s1o 1
4 . 1036 . 1 1 2 NLE HG2 H 30.951 -0.496 5.247 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HG2 . . rr_1s1o 1
4 . 1037 . 1 1 2 NLE HG3 H 31.604 -0.761 6.862 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HG3 . . rr_1s1o 1
4 . 1038 . 1 1 2 NLE N N 31.579 1.019 8.830 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE N . . rr_1s1o 1
4 . 1039 . 1 1 2 NLE O O 30.224 3.746 7.300 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE O . . rr_1s1o 1
4 . 1040 . 1 1 3 NLE C C 31.721 5.338 10.527 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE C . . rr_1s1o 1
4 . 1041 . 1 1 3 NLE CA C 30.409 4.872 9.892 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CA . . rr_1s1o 1
4 . 1042 . 1 1 3 NLE CB C 29.228 5.093 10.847 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CB . . rr_1s1o 1
4 . 1043 . 1 1 3 NLE CD C 27.507 6.016 9.207 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CD . . rr_1s1o 1
4 . 1044 . 1 1 3 NLE CE C 26.071 5.850 8.699 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CE . . rr_1s1o 1
4 . 1045 . 1 1 3 NLE CG C 27.860 4.886 10.182 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CG . . rr_1s1o 1
4 . 1046 . 1 1 3 NLE H H 30.652 2.799 10.261 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE H . . rr_1s1o 1
4 . 1047 . 1 1 3 NLE HA H 30.254 5.485 9.014 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HA . . rr_1s1o 1
4 . 1048 . 1 1 3 NLE HB2 H 29.323 4.396 11.679 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HB2 . . rr_1s1o 1
4 . 1049 . 1 1 3 NLE HB3 H 29.268 6.108 11.246 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HB3 . . rr_1s1o 1
4 . 1050 . 1 1 3 NLE HD2 H 27.598 6.976 9.717 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HD2 . . rr_1s1o 1
4 . 1051 . 1 1 3 NLE HD3 H 28.183 6.001 8.353 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HD3 . . rr_1s1o 1
4 . 1052 . 1 1 3 NLE HE1 H 25.987 4.913 8.147 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE1 . . rr_1s1o 1
4 . 1053 . 1 1 3 NLE HE2 H 25.382 5.827 9.545 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE2 . . rr_1s1o 1
4 . 1054 . 1 1 3 NLE HE3 H 25.687 7.014 7.782 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE3 . . rr_1s1o 1
4 . 1055 . 1 1 3 NLE HG2 H 27.830 3.928 9.664 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HG2 . . rr_1s1o 1
4 . 1056 . 1 1 3 NLE HG3 H 27.108 4.875 10.972 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HG3 . . rr_1s1o 1
4 . 1057 . 1 1 3 NLE N N 30.479 3.466 9.516 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE N . . rr_1s1o 1
4 . 1058 . 1 1 3 NLE O O 32.497 4.532 11.039 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE O . . rr_1s1o 1
4 . 1059 . 1 1 4 NLE C C 33.998 7.932 10.095 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE C . . rr_1s1o 1
4 . 1060 . 1 1 4 NLE CA C 33.071 7.320 11.147 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CA . . rr_1s1o 1
4 . 1061 . 1 1 4 NLE CB C 32.541 8.438 12.055 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CB . . rr_1s1o 1
4 . 1062 . 1 1 4 NLE CD C 31.230 9.000 14.157 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CD . . rr_1s1o 1
4 . 1063 . 1 1 4 NLE CE C 30.373 10.089 13.503 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CE . . rr_1s1o 1
4 . 1064 . 1 1 4 NLE CG C 31.634 7.899 13.168 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CG . . rr_1s1o 1
4 . 1065 . 1 1 4 NLE H H 31.281 7.237 10.008 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE H . . rr_1s1o 1
4 . 1066 . 1 1 4 NLE HA H 33.625 6.621 11.771 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HA . . rr_1s1o 1
4 . 1067 . 1 1 4 NLE HB2 H 33.392 8.950 12.508 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HB2 . . rr_1s1o 1
4 . 1068 . 1 1 4 NLE HB3 H 31.991 9.152 11.442 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HB3 . . rr_1s1o 1
4 . 1069 . 1 1 4 NLE HD2 H 30.650 8.547 14.961 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HD2 . . rr_1s1o 1
4 . 1070 . 1 1 4 NLE HD3 H 32.123 9.453 14.591 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HD3 . . rr_1s1o 1
4 . 1071 . 1 1 4 NLE HE1 H 30.009 10.769 14.274 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE1 . . rr_1s1o 1
4 . 1072 . 1 1 4 NLE HE2 H 30.959 10.662 12.786 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE2 . . rr_1s1o 1
4 . 1073 . 1 1 4 NLE HE3 H 29.518 9.638 12.998 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE3 . . rr_1s1o 1
4 . 1074 . 1 1 4 NLE HG2 H 30.734 7.458 12.739 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HG2 . . rr_1s1o 1
4 . 1075 . 1 1 4 NLE HG3 H 32.172 7.124 13.716 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HG3 . . rr_1s1o 1
4 . 1076 . 1 1 4 NLE N N 31.946 6.653 10.506 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE N . . rr_1s1o 1
4 . 1077 . 1 1 4 NLE O O 33.521 8.532 9.136 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE O . . rr_1s1o 1
4 . 1078 . 1 1 5 NLE C C 36.310 7.913 8.061 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE C . . rr_1s1o 1
4 . 1079 . 1 1 5 NLE CA C 36.289 8.527 9.458 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CA . . rr_1s1o 1
4 . 1080 . 1 1 5 NLE CB C 37.677 8.452 10.103 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CB . . rr_1s1o 1
4 . 1081 . 1 1 5 NLE CD C 39.123 9.155 12.032 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CD . . rr_1s1o 1
4 . 1082 . 1 1 5 NLE CE C 39.141 9.742 13.445 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CE . . rr_1s1o 1
4 . 1083 . 1 1 5 NLE CG C 37.691 9.105 11.491 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CG . . rr_1s1o 1
4 . 1084 . 1 1 5 NLE H H 35.640 7.203 11.011 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE H . . rr_1s1o 1
4 . 1085 . 1 1 5 NLE HA H 36.000 9.576 9.384 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HA . . rr_1s1o 1
4 . 1086 . 1 1 5 NLE HB2 H 37.986 7.408 10.185 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HB2 . . rr_1s1o 1
4 . 1087 . 1 1 5 NLE HB3 H 38.384 8.976 9.457 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HB3 . . rr_1s1o 1
4 . 1088 . 1 1 5 NLE HD2 H 39.540 8.148 12.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HD2 . . rr_1s1o 1
4 . 1089 . 1 1 5 NLE HD3 H 39.738 9.777 11.379 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HD3 . . rr_1s1o 1
4 . 1090 . 1 1 5 NLE HE1 H 40.167 9.770 13.814 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE1 . . rr_1s1o 1
4 . 1091 . 1 1 5 NLE HE2 H 38.740 10.756 13.432 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE2 . . rr_1s1o 1
4 . 1092 . 1 1 5 NLE HE3 H 38.539 9.126 14.113 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE3 . . rr_1s1o 1
4 . 1093 . 1 1 5 NLE HG2 H 37.299 10.121 11.419 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HG2 . . rr_1s1o 1
4 . 1094 . 1 1 5 NLE HG3 H 37.067 8.530 12.176 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HG3 . . rr_1s1o 1
4 . 1095 . 1 1 5 NLE N N 35.312 7.825 10.280 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE N . . rr_1s1o 1
4 . 1096 . 1 1 5 NLE O O 36.238 6.694 7.936 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE O . . rr_1s1o 1
4 . 1097 . 1 1 6 NLE C C 35.760 9.445 4.791 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE C . . rr_1s1o 1
4 . 1098 . 1 1 6 NLE CA C 36.362 8.316 5.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CA . . rr_1s1o 1
4 . 1099 . 1 1 6 NLE CB C 37.767 7.958 5.113 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CB . . rr_1s1o 1
4 . 1100 . 1 1 6 NLE CD C 39.644 6.277 5.072 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CD . . rr_1s1o 1
4 . 1101 . 1 1 6 NLE CE C 40.215 5.018 5.728 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CE . . rr_1s1o 1
4 . 1102 . 1 1 6 NLE CG C 38.352 6.704 5.775 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CG . . rr_1s1o 1
4 . 1103 . 1 1 6 NLE H H 36.526 9.731 7.200 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE H . . rr_1s1o 1
4 . 1104 . 1 1 6 NLE HA H 35.725 7.438 5.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HA . . rr_1s1o 1
4 . 1105 . 1 1 6 NLE HB2 H 37.692 7.774 4.040 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HB2 . . rr_1s1o 1
4 . 1106 . 1 1 6 NLE HB3 H 38.444 8.800 5.271 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HB3 . . rr_1s1o 1
4 . 1107 . 1 1 6 NLE HD2 H 39.439 6.068 4.021 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HD2 . . rr_1s1o 1
4 . 1108 . 1 1 6 NLE HD3 H 40.378 7.081 5.138 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HD3 . . rr_1s1o 1
4 . 1109 . 1 1 6 NLE HE1 H 40.426 5.209 6.780 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE1 . . rr_1s1o 1
4 . 1110 . 1 1 6 NLE HE2 H 39.499 4.199 5.647 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE2 . . rr_1s1o 1
4 . 1111 . 1 1 6 NLE HE3 H 41.139 4.733 5.225 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE3 . . rr_1s1o 1
4 . 1112 . 1 1 6 NLE HG2 H 38.578 6.911 6.821 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HG2 . . rr_1s1o 1
4 . 1113 . 1 1 6 NLE HG3 H 37.627 5.891 5.717 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HG3 . . rr_1s1o 1
4 . 1114 . 1 1 6 NLE N N 36.414 8.739 7.021 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE N . . rr_1s1o 1
4 . 1115 . 1 1 6 NLE O O 36.493 10.329 4.347 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE O . . rr_1s1o 1
4 . 1116 . 1 1 7 NLE C C 32.452 10.847 4.162 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE C . . rr_1s1o 1
4 . 1117 . 1 1 7 NLE CA C 33.801 10.363 3.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CA . . rr_1s1o 1
4 . 1118 . 1 1 7 NLE CB C 33.611 9.709 2.255 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CB . . rr_1s1o 1
4 . 1119 . 1 1 7 NLE CD C 34.749 8.691 0.209 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CD . . rr_1s1o 1
4 . 1120 . 1 1 7 NLE CE C 34.145 9.670 -0.801 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CE . . rr_1s1o 1
4 . 1121 . 1 1 7 NLE CG C 34.941 9.312 1.598 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CG . . rr_1s1o 1
4 . 1122 . 1 1 7 NLE H H 33.867 8.724 5.009 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE H . . rr_1s1o 1
4 . 1123 . 1 1 7 NLE HA H 34.429 11.245 3.512 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HA . . rr_1s1o 1
4 . 1124 . 1 1 7 NLE HB2 H 32.978 8.826 2.359 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HB2 . . rr_1s1o 1
4 . 1125 . 1 1 7 NLE HB3 H 33.101 10.430 1.616 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HB3 . . rr_1s1o 1
4 . 1126 . 1 1 7 NLE HD2 H 35.728 8.378 -0.160 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HD2 . . rr_1s1o 1
4 . 1127 . 1 1 7 NLE HD3 H 34.112 7.808 0.285 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HD3 . . rr_1s1o 1
4 . 1128 . 1 1 7 NLE HE1 H 34.186 9.229 -1.797 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE1 . . rr_1s1o 1
4 . 1129 . 1 1 7 NLE HE2 H 33.103 9.872 -0.557 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE2 . . rr_1s1o 1
4 . 1130 . 1 1 7 NLE HE3 H 34.709 10.604 -0.803 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE3 . . rr_1s1o 1
4 . 1131 . 1 1 7 NLE HG2 H 35.584 10.188 1.516 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HG2 . . rr_1s1o 1
4 . 1132 . 1 1 7 NLE HG3 H 35.443 8.568 2.217 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HG3 . . rr_1s1o 1
4 . 1133 . 1 1 7 NLE N N 34.447 9.425 4.550 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE N . . rr_1s1o 1
4 . 1134 . 1 1 7 NLE O O 31.804 10.152 4.940 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE O . . rr_1s1o 1
4 . 1135 . 1 1 8 NLE C C 31.029 14.146 4.260 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE C . . rr_1s1o 1
4 . 1136 . 1 1 8 NLE CA C 30.757 12.657 4.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CA . . rr_1s1o 1
4 . 1137 . 1 1 8 NLE CB C 29.729 12.443 2.934 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CB . . rr_1s1o 1
4 . 1138 . 1 1 8 NLE CD C 28.291 10.851 1.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CD . . rr_1s1o 1
4 . 1139 . 1 1 8 NLE CE C 27.896 9.390 1.437 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CE . . rr_1s1o 1
4 . 1140 . 1 1 8 NLE CG C 29.374 10.967 2.727 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CG . . rr_1s1o 1
4 . 1141 . 1 1 8 NLE H H 32.646 12.548 3.098 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE H . . rr_1s1o 1
4 . 1142 . 1 1 8 NLE HA H 30.355 12.237 4.977 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HA . . rr_1s1o 1
4 . 1143 . 1 1 8 NLE HB2 H 28.822 12.988 3.199 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HB2 . . rr_1s1o 1
4 . 1144 . 1 1 8 NLE HB3 H 30.113 12.851 2.000 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HB3 . . rr_1s1o 1
4 . 1145 . 1 1 8 NLE HD2 H 27.408 11.415 1.953 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HD2 . . rr_1s1o 1
4 . 1146 . 1 1 8 NLE HD3 H 28.665 11.259 0.709 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HD3 . . rr_1s1o 1
4 . 1147 . 1 1 8 NLE HE1 H 27.477 8.989 2.360 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE1 . . rr_1s1o 1
4 . 1148 . 1 1 8 NLE HE2 H 27.145 9.325 0.649 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE2 . . rr_1s1o 1
4 . 1149 . 1 1 8 NLE HE3 H 28.769 8.804 1.148 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE3 . . rr_1s1o 1
4 . 1150 . 1 1 8 NLE HG2 H 30.257 10.413 2.405 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HG2 . . rr_1s1o 1
4 . 1151 . 1 1 8 NLE HG3 H 29.009 10.545 3.664 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HG3 . . rr_1s1o 1
4 . 1152 . 1 1 8 NLE N N 32.027 12.029 3.715 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE N . . rr_1s1o 1
4 . 1153 . 1 1 8 NLE O O 31.131 14.895 3.290 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE O . . rr_1s1o 1
4 . 1154 . 2 1 1 NLE C C 34.255 22.625 3.037 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE C . . rr_1s1o 1
4 . 1155 . 2 1 1 NLE CA C 35.782 22.638 3.020 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CA . . rr_1s1o 1
4 . 1156 . 2 1 1 NLE CB C 36.381 22.899 4.410 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CB . . rr_1s1o 1
4 . 1157 . 2 1 1 NLE CD C 36.580 24.521 6.366 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CD . . rr_1s1o 1
4 . 1158 . 2 1 1 NLE CE C 38.089 24.301 6.549 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CE . . rr_1s1o 1
4 . 1159 . 2 1 1 NLE CG C 36.073 24.311 4.933 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CG . . rr_1s1o 1
4 . 1160 . 2 1 1 NLE HA H 36.102 21.650 2.694 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HA . . rr_1s1o 1
4 . 1161 . 2 1 1 NLE HB2 H 35.993 22.160 5.112 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HB2 . . rr_1s1o 1
4 . 1162 . 2 1 1 NLE HB3 H 37.461 22.770 4.336 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HB3 . . rr_1s1o 1
4 . 1163 . 2 1 1 NLE HD2 H 36.338 25.541 6.667 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HD2 . . rr_1s1o 1
4 . 1164 . 2 1 1 NLE HD3 H 36.049 23.838 7.031 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HD3 . . rr_1s1o 1
4 . 1165 . 2 1 1 NLE HE1 H 38.343 24.546 7.581 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE1 . . rr_1s1o 1
4 . 1166 . 2 1 1 NLE HE2 H 38.342 23.253 6.382 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE2 . . rr_1s1o 1
4 . 1167 . 2 1 1 NLE HE3 H 38.930 25.184 5.622 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE3 . . rr_1s1o 1
4 . 1168 . 2 1 1 NLE HG2 H 36.516 25.059 4.275 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HG2 . . rr_1s1o 1
4 . 1169 . 2 1 1 NLE HG3 H 34.994 24.466 4.937 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HG3 . . rr_1s1o 1
4 . 1170 . 2 1 1 NLE N N 36.262 23.627 2.069 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE N . . rr_1s1o 1
4 . 1171 . 2 1 1 NLE O O 33.608 23.543 2.535 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE O . . rr_1s1o 1
4 . 1172 . 2 1 2 NLE C C 32.047 19.829 3.721 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE C . . rr_1s1o 1
4 . 1173 . 2 1 2 NLE CA C 32.262 21.343 3.747 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CA . . rr_1s1o 1
4 . 1174 . 2 1 2 NLE CB C 31.744 22.009 5.031 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CB . . rr_1s1o 1
4 . 1175 . 2 1 2 NLE CD C 29.724 22.678 6.374 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CD . . rr_1s1o 1
4 . 1176 . 2 1 2 NLE CE C 28.214 22.512 6.590 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CE . . rr_1s1o 1
4 . 1177 . 2 1 2 NLE CG C 30.213 21.950 5.117 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CG . . rr_1s1o 1
4 . 1178 . 2 1 2 NLE H H 34.295 20.845 3.980 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE H . . rr_1s1o 1
4 . 1179 . 2 1 2 NLE HA H 31.743 21.784 2.896 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HA . . rr_1s1o 1
4 . 1180 . 2 1 2 NLE HB2 H 32.185 21.522 5.903 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HB2 . . rr_1s1o 1
4 . 1181 . 2 1 2 NLE HB3 H 32.046 23.057 5.028 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HB3 . . rr_1s1o 1
4 . 1182 . 2 1 2 NLE HD2 H 30.237 22.263 7.243 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HD2 . . rr_1s1o 1
4 . 1183 . 2 1 2 NLE HD3 H 29.967 23.739 6.301 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HD3 . . rr_1s1o 1
4 . 1184 . 2 1 2 NLE HE1 H 27.969 21.452 6.674 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE1 . . rr_1s1o 1
4 . 1185 . 2 1 2 NLE HE2 H 27.947 23.002 7.528 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE2 . . rr_1s1o 1
4 . 1186 . 2 1 2 NLE HE3 H 27.385 23.137 5.464 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE3 . . rr_1s1o 1
4 . 1187 . 2 1 2 NLE HG2 H 29.793 22.426 4.231 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HG2 . . rr_1s1o 1
4 . 1188 . 2 1 2 NLE HG3 H 29.881 20.912 5.158 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HG3 . . rr_1s1o 1
4 . 1189 . 2 1 2 NLE N N 33.687 21.571 3.615 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE N . . rr_1s1o 1
4 . 1190 . 2 1 2 NLE O O 31.823 19.198 4.754 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE O . . rr_1s1o 1
4 . 1191 . 2 1 3 NLE C C 32.995 17.180 1.532 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE C . . rr_1s1o 1
4 . 1192 . 2 1 3 NLE CA C 31.845 17.833 2.295 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CA . . rr_1s1o 1
4 . 1193 . 2 1 3 NLE CB C 30.509 17.696 1.552 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CB . . rr_1s1o 1
4 . 1194 . 2 1 3 NLE CD C 28.009 17.928 1.708 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CD . . rr_1s1o 1
4 . 1195 . 2 1 3 NLE CE C 26.849 18.489 2.536 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CE . . rr_1s1o 1
4 . 1196 . 2 1 3 NLE CG C 29.343 18.214 2.403 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CG . . rr_1s1o 1
4 . 1197 . 2 1 3 NLE H H 32.424 19.796 1.729 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE H . . rr_1s1o 1
4 . 1198 . 2 1 3 NLE HA H 31.766 17.306 3.239 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HA . . rr_1s1o 1
4 . 1199 . 2 1 3 NLE HB2 H 30.545 18.258 0.619 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HB2 . . rr_1s1o 1
4 . 1200 . 2 1 3 NLE HB3 H 30.332 16.644 1.323 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HB3 . . rr_1s1o 1
4 . 1201 . 2 1 3 NLE HD2 H 28.005 18.390 0.720 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HD2 . . rr_1s1o 1
4 . 1202 . 2 1 3 NLE HD3 H 27.885 16.849 1.597 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HD3 . . rr_1s1o 1
4 . 1203 . 2 1 3 NLE HE1 H 26.866 18.050 3.534 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE1 . . rr_1s1o 1
4 . 1204 . 2 1 3 NLE HE2 H 26.952 19.572 2.623 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE2 . . rr_1s1o 1
4 . 1205 . 2 1 3 NLE HE3 H 25.509 18.163 1.871 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE3 . . rr_1s1o 1
4 . 1206 . 2 1 3 NLE HG2 H 29.355 17.715 3.374 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HG2 . . rr_1s1o 1
4 . 1207 . 2 1 3 NLE HG3 H 29.444 19.289 2.555 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HG3 . . rr_1s1o 1
4 . 1208 . 2 1 3 NLE N N 32.129 19.241 2.528 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE N . . rr_1s1o 1
4 . 1209 . 2 1 3 NLE O O 33.907 17.863 1.072 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE O . . rr_1s1o 1
4 . 1210 . 2 1 4 NLE C C 34.681 14.153 1.580 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE C . . rr_1s1o 1
4 . 1211 . 2 1 4 NLE CA C 33.909 15.072 0.632 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CA . . rr_1s1o 1
4 . 1212 . 2 1 4 NLE CB C 33.210 14.304 -0.502 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CB . . rr_1s1o 1
4 . 1213 . 2 1 4 NLE CD C 31.425 12.622 -1.186 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CD . . rr_1s1o 1
4 . 1214 . 2 1 4 NLE CE C 30.897 13.442 -2.365 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CE . . rr_1s1o 1
4 . 1215 . 2 1 4 NLE CG C 31.981 13.498 -0.057 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CG . . rr_1s1o 1
4 . 1216 . 2 1 4 NLE H H 32.192 15.359 1.855 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE H . . rr_1s1o 1
4 . 1217 . 2 1 4 NLE HA H 34.622 15.733 0.142 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HA . . rr_1s1o 1
4 . 1218 . 2 1 4 NLE HB2 H 32.895 15.033 -1.247 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HB2 . . rr_1s1o 1
4 . 1219 . 2 1 4 NLE HB3 H 33.935 13.632 -0.964 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HB3 . . rr_1s1o 1
4 . 1220 . 2 1 4 NLE HD2 H 32.199 11.942 -1.542 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HD2 . . rr_1s1o 1
4 . 1221 . 2 1 4 NLE HD3 H 30.603 12.027 -0.784 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HD3 . . rr_1s1o 1
4 . 1222 . 2 1 4 NLE HE1 H 30.391 12.778 -3.067 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE1 . . rr_1s1o 1
4 . 1223 . 2 1 4 NLE HE2 H 30.187 14.192 -2.014 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE2 . . rr_1s1o 1
4 . 1224 . 2 1 4 NLE HE3 H 31.720 13.931 -2.886 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE3 . . rr_1s1o 1
4 . 1225 . 2 1 4 NLE HG2 H 32.254 12.836 0.763 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HG2 . . rr_1s1o 1
4 . 1226 . 2 1 4 NLE HG3 H 31.197 14.176 0.283 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HG3 . . rr_1s1o 1
4 . 1227 . 2 1 4 NLE N N 32.945 15.856 1.389 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE N . . rr_1s1o 1
4 . 1228 . 2 1 4 NLE O O 34.077 13.429 2.370 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE O . . rr_1s1o 1
4 . 1229 . 2 1 5 NLE C C 37.033 13.905 3.677 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE C . . rr_1s1o 1
4 . 1230 . 2 1 5 NLE CA C 36.883 13.312 2.278 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CA . . rr_1s1o 1
4 . 1231 . 2 1 5 NLE CB C 38.246 13.189 1.586 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CB . . rr_1s1o 1
4 . 1232 . 2 1 5 NLE CD C 39.462 12.444 -0.528 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CD . . rr_1s1o 1
4 . 1233 . 2 1 5 NLE CE C 40.456 11.515 0.175 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CE . . rr_1s1o 1
4 . 1234 . 2 1 5 NLE CG C 38.116 12.532 0.204 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CG . . rr_1s1o 1
4 . 1235 . 2 1 5 NLE H H 36.445 14.861 0.888 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE H . . rr_1s1o 1
4 . 1236 . 2 1 5 NLE HA H 36.442 12.317 2.349 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HA . . rr_1s1o 1
4 . 1237 . 2 1 5 NLE HB2 H 38.694 14.179 1.483 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HB2 . . rr_1s1o 1
4 . 1238 . 2 1 5 NLE HB3 H 38.888 12.578 2.221 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HB3 . . rr_1s1o 1
4 . 1239 . 2 1 5 NLE HD2 H 39.279 12.055 -1.531 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HD2 . . rr_1s1o 1
4 . 1240 . 2 1 5 NLE HD3 H 39.898 13.440 -0.618 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HD3 . . rr_1s1o 1
4 . 1241 . 2 1 5 NLE HE1 H 40.004 10.537 0.338 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE1 . . rr_1s1o 1
4 . 1242 . 2 1 5 NLE HE2 H 41.340 11.396 -0.454 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE2 . . rr_1s1o 1
4 . 1243 . 2 1 5 NLE HE3 H 40.767 11.937 1.130 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE3 . . rr_1s1o 1
4 . 1244 . 2 1 5 NLE HG2 H 37.696 11.531 0.313 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HG2 . . rr_1s1o 1
4 . 1245 . 2 1 5 NLE HG3 H 37.441 13.124 -0.416 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HG3 . . rr_1s1o 1
4 . 1246 . 2 1 5 NLE N N 36.010 14.178 1.502 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE N . . rr_1s1o 1
4 . 1247 . 2 1 5 NLE O O 37.359 15.085 3.804 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE O . . rr_1s1o 1
4 . 1248 . 2 1 6 NLE C C 36.090 12.451 6.945 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE C . . rr_1s1o 1
4 . 1249 . 2 1 6 NLE CA C 36.791 13.523 6.107 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CA . . rr_1s1o 1
4 . 1250 . 2 1 6 NLE CB C 38.230 13.782 6.586 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CB . . rr_1s1o 1
4 . 1251 . 2 1 6 NLE CD C 39.686 14.700 8.423 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CD . . rr_1s1o 1
4 . 1252 . 2 1 6 NLE CE C 39.707 15.276 9.840 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CE . . rr_1s1o 1
4 . 1253 . 2 1 6 NLE CG C 38.251 14.363 8.006 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CG . . rr_1s1o 1
4 . 1254 . 2 1 6 NLE H H 36.580 12.127 4.527 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE H . . rr_1s1o 1
4 . 1255 . 2 1 6 NLE HA H 36.236 14.455 6.196 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HA . . rr_1s1o 1
4 . 1256 . 2 1 6 NLE HB2 H 38.801 12.853 6.559 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HB2 . . rr_1s1o 1
4 . 1257 . 2 1 6 NLE HB3 H 38.709 14.502 5.921 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HB3 . . rr_1s1o 1
4 . 1258 . 2 1 6 NLE HD2 H 40.296 13.796 8.395 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HD2 . . rr_1s1o 1
4 . 1259 . 2 1 6 NLE HD3 H 40.106 15.434 7.733 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HD3 . . rr_1s1o 1
4 . 1260 . 2 1 6 NLE HE1 H 40.734 15.512 10.121 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE1 . . rr_1s1o 1
4 . 1261 . 2 1 6 NLE HE2 H 39.109 16.187 9.882 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE2 . . rr_1s1o 1
4 . 1262 . 2 1 6 NLE HE3 H 39.304 14.548 10.544 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE3 . . rr_1s1o 1
4 . 1263 . 2 1 6 NLE HG2 H 37.649 15.272 8.035 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HG2 . . rr_1s1o 1
4 . 1264 . 2 1 6 NLE HG3 H 37.839 13.641 8.711 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HG3 . . rr_1s1o 1
4 . 1265 . 2 1 6 NLE N N 36.790 13.103 4.714 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE N . . rr_1s1o 1
4 . 1266 . 2 1 6 NLE O O 36.737 11.511 7.407 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE O . . rr_1s1o 1
4 . 1267 . 2 1 7 NLE C C 32.548 11.630 7.714 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE C . . rr_1s1o 1
4 . 1268 . 2 1 7 NLE CA C 34.043 11.663 8.030 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CA . . rr_1s1o 1
4 . 1269 . 2 1 7 NLE CB C 34.289 12.038 9.501 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CB . . rr_1s1o 1
4 . 1270 . 2 1 7 NLE CD C 34.122 13.802 11.289 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CD . . rr_1s1o 1
4 . 1271 . 2 1 7 NLE CE C 33.697 15.239 11.600 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CE . . rr_1s1o 1
4 . 1272 . 2 1 7 NLE CG C 33.858 13.478 9.816 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CG . . rr_1s1o 1
4 . 1273 . 2 1 7 NLE H H 34.260 13.330 6.720 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE H . . rr_1s1o 1
4 . 1274 . 2 1 7 NLE HA H 34.416 10.652 7.862 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HA . . rr_1s1o 1
4 . 1275 . 2 1 7 NLE HB2 H 33.736 11.349 10.141 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HB2 . . rr_1s1o 1
4 . 1276 . 2 1 7 NLE HB3 H 35.351 11.933 9.726 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HB3 . . rr_1s1o 1
4 . 1277 . 2 1 7 NLE HD2 H 33.556 13.117 11.922 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HD2 . . rr_1s1o 1
4 . 1278 . 2 1 7 NLE HD3 H 35.185 13.689 11.504 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HD3 . . rr_1s1o 1
4 . 1279 . 2 1 7 NLE HE1 H 33.890 15.455 12.651 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE1 . . rr_1s1o 1
4 . 1280 . 2 1 7 NLE HE2 H 34.265 15.937 10.984 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE2 . . rr_1s1o 1
4 . 1281 . 2 1 7 NLE HE3 H 32.633 15.365 11.399 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE3 . . rr_1s1o 1
4 . 1282 . 2 1 7 NLE HG2 H 34.418 14.178 9.194 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HG2 . . rr_1s1o 1
4 . 1283 . 2 1 7 NLE HG3 H 32.793 13.600 9.612 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HG3 . . rr_1s1o 1
4 . 1284 . 2 1 7 NLE N N 34.778 12.572 7.159 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE N . . rr_1s1o 1
4 . 1285 . 2 1 7 NLE O O 32.001 12.551 7.117 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE O . . rr_1s1o 1
4 . 1286 . 2 1 8 NLE C C 30.416 8.736 7.818 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE C . . rr_1s1o 1
4 . 1287 . 2 1 8 NLE CA C 30.489 10.256 7.961 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CA . . rr_1s1o 1
4 . 1288 . 2 1 8 NLE CB C 29.696 10.798 9.160 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CB . . rr_1s1o 1
4 . 1289 . 2 1 8 NLE CD C 27.433 11.227 10.161 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CD . . rr_1s1o 1
4 . 1290 . 2 1 8 NLE CE C 25.923 11.043 9.993 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CE . . rr_1s1o 1
4 . 1291 . 2 1 8 NLE CG C 28.185 10.618 8.973 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CG . . rr_1s1o 1
4 . 1292 . 2 1 8 NLE H H 32.442 9.848 8.621 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE H . . rr_1s1o 1
4 . 1293 . 2 1 8 NLE HA H 30.120 10.725 7.048 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HA . . rr_1s1o 1
4 . 1294 . 2 1 8 NLE HB2 H 30.015 10.293 10.073 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HB2 . . rr_1s1o 1
4 . 1295 . 2 1 8 NLE HB3 H 29.906 11.864 9.261 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HB3 . . rr_1s1o 1
4 . 1296 . 2 1 8 NLE HD2 H 27.751 10.739 11.084 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HD2 . . rr_1s1o 1
4 . 1297 . 2 1 8 NLE HD3 H 27.657 12.293 10.228 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HD3 . . rr_1s1o 1
4 . 1298 . 2 1 8 NLE HE1 H 25.406 11.493 10.841 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE1 . . rr_1s1o 1
4 . 1299 . 2 1 8 NLE HE2 H 25.588 11.526 9.075 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE2 . . rr_1s1o 1
4 . 1300 . 2 1 8 NLE HE3 H 25.680 9.981 9.952 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE3 . . rr_1s1o 1
4 . 1301 . 2 1 8 NLE HG2 H 27.871 11.116 8.055 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HG2 . . rr_1s1o 1
4 . 1302 . 2 1 8 NLE HG3 H 27.943 9.557 8.904 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HG3 . . rr_1s1o 1
4 . 1303 . 2 1 8 NLE N N 31.897 10.553 8.140 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE N . . rr_1s1o 1
4 . 1304 . 2 1 8 NLE O O 30.154 8.022 8.786 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE O . . rr_1s1o 1
4 . 1305 . 3 2 1 BOC C C 33.067 -1.183 12.604 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C . . rr_1s1o 1
4 . 1306 . 3 2 1 BOC C1 C 34.636 -1.580 15.152 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C1 . . rr_1s1o 1
4 . 1307 . 3 2 1 BOC C2 C 32.133 -1.425 15.531 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C2 . . rr_1s1o 1
4 . 1308 . 3 2 1 BOC C3 C 33.251 -3.619 15.345 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C3 . . rr_1s1o 1
4 . 1309 . 3 2 1 BOC CT C 33.261 -2.180 14.811 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC CT . . rr_1s1o 1
4 . 1310 . 3 2 1 BOC H11 H 35.414 -2.087 14.580 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H11 . . rr_1s1o 1
4 . 1311 . 3 2 1 BOC H12 H 34.671 -0.513 14.930 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H12 . . rr_1s1o 1
4 . 1312 . 3 2 1 BOC H13 H 34.842 -1.705 16.215 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H13 . . rr_1s1o 1
4 . 1313 . 3 2 1 BOC H21 H 31.173 -1.881 15.293 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H21 . . rr_1s1o 1
4 . 1314 . 3 2 1 BOC H22 H 32.286 -1.475 16.609 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H22 . . rr_1s1o 1
4 . 1315 . 3 2 1 BOC H23 H 32.111 -0.377 15.242 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H23 . . rr_1s1o 1
4 . 1316 . 3 2 1 BOC H31 H 33.406 -3.631 16.424 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H31 . . rr_1s1o 1
4 . 1317 . 3 2 1 BOC H32 H 32.295 -4.092 15.121 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H32 . . rr_1s1o 1
4 . 1318 . 3 2 1 BOC H33 H 34.044 -4.196 14.867 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H33 . . rr_1s1o 1
4 . 1319 . 3 2 1 BOC O1 O 33.176 -0.053 13.070 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC O1 . . rr_1s1o 1
4 . 1320 . 3 2 1 BOC O2 O 33.042 -2.305 13.406 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC O2 . . rr_1s1o 1
4 . 1321 . 4 2 1 BOC C C 37.413 23.552 1.401 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C . . rr_1s1o 1
4 . 1322 . 4 2 1 BOC C1 C 40.206 24.533 0.658 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C1 . . rr_1s1o 1
4 . 1323 . 4 2 1 BOC C2 C 39.018 23.210 -1.158 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C2 . . rr_1s1o 1
4 . 1324 . 4 2 1 BOC C3 C 38.972 25.679 -1.154 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C3 . . rr_1s1o 1
4 . 1325 . 4 2 1 BOC CT C 38.963 24.444 -0.243 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC CT . . rr_1s1o 1
4 . 1326 . 4 2 1 BOC H11 H 41.101 24.642 0.045 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H11 . . rr_1s1o 1
4 . 1327 . 4 2 1 BOC H12 H 40.123 25.397 1.318 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H12 . . rr_1s1o 1
4 . 1328 . 4 2 1 BOC H13 H 40.322 23.636 1.265 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H13 . . rr_1s1o 1
4 . 1329 . 4 2 1 BOC H21 H 38.094 23.133 -1.732 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H21 . . rr_1s1o 1
4 . 1330 . 4 2 1 BOC H22 H 39.856 23.298 -1.849 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H22 . . rr_1s1o 1
4 . 1331 . 4 2 1 BOC H23 H 39.156 22.296 -0.582 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H23 . . rr_1s1o 1
4 . 1332 . 4 2 1 BOC H31 H 39.878 25.705 -1.759 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H31 . . rr_1s1o 1
4 . 1333 . 4 2 1 BOC H32 H 38.105 25.657 -1.815 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H32 . . rr_1s1o 1
4 . 1334 . 4 2 1 BOC H33 H 38.925 26.586 -0.548 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H33 . . rr_1s1o 1
4 . 1335 . 4 2 1 BOC O1 O 38.145 22.588 1.618 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC O1 . . rr_1s1o 1
4 . 1336 . 4 2 1 BOC O2 O 37.743 24.536 0.493 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC O2 . . rr_1s1o 1
5 . 1337 . 1 1 1 NLE C C 33.284 -0.110 9.865 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE C . . rr_1s1o 1
5 . 1338 . 1 1 1 NLE CA C 34.659 -0.346 9.236 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CA . . rr_1s1o 1
5 . 1339 . 1 1 1 NLE CB C 34.574 -1.431 8.153 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CB . . rr_1s1o 1
5 . 1340 . 1 1 1 NLE CD C 36.611 -0.592 6.788 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CD . . rr_1s1o 1
5 . 1341 . 1 1 1 NLE CE C 35.808 -0.085 5.584 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CE . . rr_1s1o 1
5 . 1342 . 1 1 1 NLE CG C 35.927 -1.768 7.502 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE CG . . rr_1s1o 1
5 . 1343 . 1 1 1 NLE HA H 34.999 0.578 8.782 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HA . . rr_1s1o 1
5 . 1344 . 1 1 1 NLE HB2 H 34.186 -2.343 8.611 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HB2 . . rr_1s1o 1
5 . 1345 . 1 1 1 NLE HB3 H 33.864 -1.117 7.388 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HB3 . . rr_1s1o 1
5 . 1346 . 1 1 1 NLE HD2 H 36.785 0.225 7.487 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HD2 . . rr_1s1o 1
5 . 1347 . 1 1 1 NLE HD3 H 37.582 -0.937 6.431 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HD3 . . rr_1s1o 1
5 . 1348 . 1 1 1 NLE HE1 H 35.671 -0.896 4.868 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE1 . . rr_1s1o 1
5 . 1349 . 1 1 1 NLE HE2 H 34.831 0.273 5.905 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE2 . . rr_1s1o 1
5 . 1350 . 1 1 1 NLE HE3 H 36.546 1.071 4.904 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HE3 . . rr_1s1o 1
5 . 1351 . 1 1 1 NLE HG2 H 36.604 -2.144 8.269 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HG2 . . rr_1s1o 1
5 . 1352 . 1 1 1 NLE HG3 H 35.770 -2.568 6.778 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE HG3 . . rr_1s1o 1
5 . 1353 . 1 1 1 NLE N N 35.591 -0.760 10.278 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE N . . rr_1s1o 1
5 . 1354 . 1 1 1 NLE O O 32.889 -0.866 10.751 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 1 NLE O . . rr_1s1o 1
5 . 1355 . 1 1 2 NLE C C 30.763 2.648 9.700 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE C . . rr_1s1o 1
5 . 1356 . 1 1 2 NLE CA C 31.226 1.215 9.984 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CA . . rr_1s1o 1
5 . 1357 . 1 1 2 NLE CB C 30.195 0.202 9.456 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CB . . rr_1s1o 1
5 . 1358 . 1 1 2 NLE CD C 29.126 -0.856 7.399 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CD . . rr_1s1o 1
5 . 1359 . 1 1 2 NLE CE C 27.679 -0.666 7.871 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CE . . rr_1s1o 1
5 . 1360 . 1 1 2 NLE CG C 30.063 0.238 7.925 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE CG . . rr_1s1o 1
5 . 1361 . 1 1 2 NLE H H 32.912 1.519 8.699 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE H . . rr_1s1o 1
5 . 1362 . 1 1 2 NLE HA H 31.299 1.108 11.065 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HA . . rr_1s1o 1
5 . 1363 . 1 1 2 NLE HB2 H 30.483 -0.804 9.760 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HB2 . . rr_1s1o 1
5 . 1364 . 1 1 2 NLE HB3 H 29.232 0.431 9.911 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HB3 . . rr_1s1o 1
5 . 1365 . 1 1 2 NLE HD2 H 29.146 -0.821 6.309 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HD2 . . rr_1s1o 1
5 . 1366 . 1 1 2 NLE HD3 H 29.490 -1.834 7.719 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HD3 . . rr_1s1o 1
5 . 1367 . 1 1 2 NLE HE1 H 27.612 -0.811 8.949 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE1 . . rr_1s1o 1
5 . 1368 . 1 1 2 NLE HE2 H 27.341 0.341 7.623 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE2 . . rr_1s1o 1
5 . 1369 . 1 1 2 NLE HE3 H 26.759 -1.682 7.190 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HE3 . . rr_1s1o 1
5 . 1370 . 1 1 2 NLE HG2 H 29.690 1.210 7.601 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HG2 . . rr_1s1o 1
5 . 1371 . 1 1 2 NLE HG3 H 31.043 0.078 7.474 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE HG3 . . rr_1s1o 1
5 . 1372 . 1 1 2 NLE N N 32.547 0.920 9.434 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE N . . rr_1s1o 1
5 . 1373 . 1 1 2 NLE O O 31.229 3.280 8.755 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 2 DNE O . . rr_1s1o 1
5 . 1374 . 1 1 3 NLE C C 29.786 5.452 11.326 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE C . . rr_1s1o 1
5 . 1375 . 1 1 3 NLE CA C 29.172 4.441 10.350 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CA . . rr_1s1o 1
5 . 1376 . 1 1 3 NLE CB C 27.667 4.247 10.611 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CB . . rr_1s1o 1
5 . 1377 . 1 1 3 NLE CD C 26.704 5.977 9.002 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CD . . rr_1s1o 1
5 . 1378 . 1 1 3 NLE CE C 25.829 7.232 8.915 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CE . . rr_1s1o 1
5 . 1379 . 1 1 3 NLE CG C 26.799 5.504 10.454 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE CG . . rr_1s1o 1
5 . 1380 . 1 1 3 NLE H H 29.523 2.561 11.283 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE H . . rr_1s1o 1
5 . 1381 . 1 1 3 NLE HA H 29.312 4.793 9.330 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HA . . rr_1s1o 1
5 . 1382 . 1 1 3 NLE HB2 H 27.288 3.479 9.934 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HB2 . . rr_1s1o 1
5 . 1383 . 1 1 3 NLE HB3 H 27.542 3.885 11.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HB3 . . rr_1s1o 1
5 . 1384 . 1 1 3 NLE HD2 H 27.697 6.219 8.632 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HD2 . . rr_1s1o 1
5 . 1385 . 1 1 3 NLE HD3 H 26.273 5.185 8.388 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HD3 . . rr_1s1o 1
5 . 1386 . 1 1 3 NLE HE1 H 24.844 7.024 9.335 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE1 . . rr_1s1o 1
5 . 1387 . 1 1 3 NLE HE2 H 26.295 8.038 9.484 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE2 . . rr_1s1o 1
5 . 1388 . 1 1 3 NLE HE3 H 25.663 7.678 7.461 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HE3 . . rr_1s1o 1
5 . 1389 . 1 1 3 NLE HG2 H 25.793 5.261 10.799 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HG2 . . rr_1s1o 1
5 . 1390 . 1 1 3 NLE HG3 H 27.181 6.313 11.074 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE HG3 . . rr_1s1o 1
5 . 1391 . 1 1 3 NLE N N 29.819 3.141 10.504 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE N . . rr_1s1o 1
5 . 1392 . 1 1 3 NLE O O 30.125 5.089 12.449 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 3 NLE O . . rr_1s1o 1
5 . 1393 . 1 1 4 NLE C C 31.435 8.623 10.956 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE C . . rr_1s1o 1
5 . 1394 . 1 1 4 NLE CA C 30.460 7.777 11.774 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CA . . rr_1s1o 1
5 . 1395 . 1 1 4 NLE CB C 29.320 8.625 12.364 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CB . . rr_1s1o 1
5 . 1396 . 1 1 4 NLE CD C 27.316 8.650 13.938 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CD . . rr_1s1o 1
5 . 1397 . 1 1 4 NLE CE C 27.692 9.965 14.627 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CE . . rr_1s1o 1
5 . 1398 . 1 1 4 NLE CG C 28.540 7.867 13.449 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE CG . . rr_1s1o 1
5 . 1399 . 1 1 4 NLE H H 29.624 6.991 9.996 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE H . . rr_1s1o 1
5 . 1400 . 1 1 4 NLE HA H 31.036 7.361 12.602 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HA . . rr_1s1o 1
5 . 1401 . 1 1 4 NLE HB2 H 29.757 9.514 12.819 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HB2 . . rr_1s1o 1
5 . 1402 . 1 1 4 NLE HB3 H 28.648 8.935 11.562 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HB3 . . rr_1s1o 1
5 . 1403 . 1 1 4 NLE HD2 H 26.653 8.859 13.097 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HD2 . . rr_1s1o 1
5 . 1404 . 1 1 4 NLE HD3 H 26.777 8.028 14.655 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HD3 . . rr_1s1o 1
5 . 1405 . 1 1 4 NLE HE1 H 26.795 10.416 15.054 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE1 . . rr_1s1o 1
5 . 1406 . 1 1 4 NLE HE2 H 28.409 9.777 15.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE2 . . rr_1s1o 1
5 . 1407 . 1 1 4 NLE HE3 H 28.121 10.665 13.910 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HE3 . . rr_1s1o 1
5 . 1408 . 1 1 4 NLE HG2 H 28.186 6.917 13.055 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HG2 . . rr_1s1o 1
5 . 1409 . 1 1 4 NLE HG3 H 29.200 7.660 14.292 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE HG3 . . rr_1s1o 1
5 . 1410 . 1 1 4 NLE N N 29.915 6.719 10.931 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE N . . rr_1s1o 1
5 . 1411 . 1 1 4 NLE O O 31.206 9.812 10.734 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 4 DNE O . . rr_1s1o 1
5 . 1412 . 1 1 5 NLE C C 33.824 8.040 8.447 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE C . . rr_1s1o 1
5 . 1413 . 1 1 5 NLE CA C 33.624 8.676 9.820 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CA . . rr_1s1o 1
5 . 1414 . 1 1 5 NLE CB C 34.905 8.584 10.664 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CB . . rr_1s1o 1
5 . 1415 . 1 1 5 NLE CD C 34.468 10.675 12.134 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CD . . rr_1s1o 1
5 . 1416 . 1 1 5 NLE CE C 35.628 11.525 11.606 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CE . . rr_1s1o 1
5 . 1417 . 1 1 5 NLE CG C 34.772 9.171 12.079 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE CG . . rr_1s1o 1
5 . 1418 . 1 1 5 NLE H H 32.621 7.003 10.661 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE H . . rr_1s1o 1
5 . 1419 . 1 1 5 NLE HA H 33.393 9.721 9.651 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HA . . rr_1s1o 1
5 . 1420 . 1 1 5 NLE HB2 H 35.165 7.532 10.773 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HB2 . . rr_1s1o 1
5 . 1421 . 1 1 5 NLE HB3 H 35.722 9.077 10.138 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HB3 . . rr_1s1o 1
5 . 1422 . 1 1 5 NLE HD2 H 33.559 10.903 11.580 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HD2 . . rr_1s1o 1
5 . 1423 . 1 1 5 NLE HD3 H 34.301 10.947 13.177 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HD3 . . rr_1s1o 1
5 . 1424 . 1 1 5 NLE HE1 H 35.376 12.581 11.712 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE1 . . rr_1s1o 1
5 . 1425 . 1 1 5 NLE HE2 H 36.532 11.317 12.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE2 . . rr_1s1o 1
5 . 1426 . 1 1 5 NLE HE3 H 35.814 11.315 10.555 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HE3 . . rr_1s1o 1
5 . 1427 . 1 1 5 NLE HG2 H 33.985 8.639 12.615 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HG2 . . rr_1s1o 1
5 . 1428 . 1 1 5 NLE HG3 H 35.710 8.994 12.605 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE HG3 . . rr_1s1o 1
5 . 1429 . 1 1 5 NLE N N 32.531 8.007 10.515 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE N . . rr_1s1o 1
5 . 1430 . 1 1 5 NLE O O 33.313 6.953 8.195 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 5 NLE O . . rr_1s1o 1
5 . 1431 . 1 1 6 NLE C C 34.462 9.131 5.164 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE C . . rr_1s1o 1
5 . 1432 . 1 1 6 NLE CA C 34.955 8.184 6.259 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CA . . rr_1s1o 1
5 . 1433 . 1 1 6 NLE CB C 36.472 7.941 6.195 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CB . . rr_1s1o 1
5 . 1434 . 1 1 6 NLE CD C 38.829 8.815 6.588 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CD . . rr_1s1o 1
5 . 1435 . 1 1 6 NLE CE C 39.349 8.616 5.161 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CE . . rr_1s1o 1
5 . 1436 . 1 1 6 NLE CG C 37.331 9.140 6.629 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE CG . . rr_1s1o 1
5 . 1437 . 1 1 6 NLE H H 34.899 9.634 7.814 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE H . . rr_1s1o 1
5 . 1438 . 1 1 6 NLE HA H 34.490 7.213 6.093 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HA . . rr_1s1o 1
5 . 1439 . 1 1 6 NLE HB2 H 36.707 7.099 6.848 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HB2 . . rr_1s1o 1
5 . 1440 . 1 1 6 NLE HB3 H 36.720 7.660 5.172 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HB3 . . rr_1s1o 1
5 . 1441 . 1 1 6 NLE HD2 H 39.372 9.650 7.033 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HD2 . . rr_1s1o 1
5 . 1442 . 1 1 6 NLE HD3 H 39.033 7.921 7.179 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HD3 . . rr_1s1o 1
5 . 1443 . 1 1 6 NLE HE1 H 40.435 8.515 5.186 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE1 . . rr_1s1o 1
5 . 1444 . 1 1 6 NLE HE2 H 38.930 7.712 4.720 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE2 . . rr_1s1o 1
5 . 1445 . 1 1 6 NLE HE3 H 39.088 9.476 4.545 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HE3 . . rr_1s1o 1
5 . 1446 . 1 1 6 NLE HG2 H 37.141 10.000 5.987 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HG2 . . rr_1s1o 1
5 . 1447 . 1 1 6 NLE HG3 H 37.082 9.411 7.656 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE HG3 . . rr_1s1o 1
5 . 1448 . 1 1 6 NLE N N 34.575 8.703 7.567 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE N . . rr_1s1o 1
5 . 1449 . 1 1 6 NLE O O 34.788 10.314 5.172 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 6 DNE O . . rr_1s1o 1
5 . 1450 . 1 1 7 NLE C C 31.885 10.144 3.642 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE C . . rr_1s1o 1
5 . 1451 . 1 1 7 NLE CA C 33.120 9.403 3.129 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CA . . rr_1s1o 1
5 . 1452 . 1 1 7 NLE CB C 32.750 8.479 1.963 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CB . . rr_1s1o 1
5 . 1453 . 1 1 7 NLE CD C 33.682 6.998 0.114 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CD . . rr_1s1o 1
5 . 1454 . 1 1 7 NLE CE C 32.719 5.829 0.342 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CE . . rr_1s1o 1
5 . 1455 . 1 1 7 NLE CG C 33.989 7.764 1.407 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE CG . . rr_1s1o 1
5 . 1456 . 1 1 7 NLE H H 33.394 7.648 4.294 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE H . . rr_1s1o 1
5 . 1457 . 1 1 7 NLE HA H 33.862 10.121 2.778 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HA . . rr_1s1o 1
5 . 1458 . 1 1 7 NLE HB2 H 32.016 7.750 2.308 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HB2 . . rr_1s1o 1
5 . 1459 . 1 1 7 NLE HB3 H 32.302 9.083 1.172 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HB3 . . rr_1s1o 1
5 . 1460 . 1 1 7 NLE HD2 H 33.259 7.679 -0.626 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HD2 . . rr_1s1o 1
5 . 1461 . 1 1 7 NLE HD3 H 34.619 6.600 -0.280 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HD3 . . rr_1s1o 1
5 . 1462 . 1 1 7 NLE HE1 H 32.606 5.271 -0.588 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE1 . . rr_1s1o 1
5 . 1463 . 1 1 7 NLE HE2 H 33.120 5.164 1.106 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE2 . . rr_1s1o 1
5 . 1464 . 1 1 7 NLE HE3 H 31.739 6.191 0.650 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HE3 . . rr_1s1o 1
5 . 1465 . 1 1 7 NLE HG2 H 34.753 8.511 1.184 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HG2 . . rr_1s1o 1
5 . 1466 . 1 1 7 NLE HG3 H 34.387 7.072 2.150 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE HG3 . . rr_1s1o 1
5 . 1467 . 1 1 7 NLE N N 33.671 8.621 4.223 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE N . . rr_1s1o 1
5 . 1468 . 1 1 7 NLE O O 31.192 9.639 4.524 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 7 NLE O . . rr_1s1o 1
5 . 1469 . 1 1 8 NLE C C 30.855 13.623 3.395 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE C . . rr_1s1o 1
5 . 1470 . 1 1 8 NLE CA C 30.459 12.146 3.439 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CA . . rr_1s1o 1
5 . 1471 . 1 1 8 NLE CB C 29.297 11.880 2.469 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CB . . rr_1s1o 1
5 . 1472 . 1 1 8 NLE CD C 27.530 10.286 1.670 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CD . . rr_1s1o 1
5 . 1473 . 1 1 8 NLE CE C 27.019 8.846 1.717 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CE . . rr_1s1o 1
5 . 1474 . 1 1 8 NLE CG C 28.772 10.442 2.552 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE CG . . rr_1s1o 1
5 . 1475 . 1 1 8 NLE H H 32.221 11.669 2.357 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE H . . rr_1s1o 1
5 . 1476 . 1 1 8 NLE HA H 30.114 11.913 4.446 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HA . . rr_1s1o 1
5 . 1477 . 1 1 8 NLE HB2 H 28.483 12.563 2.718 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HB2 . . rr_1s1o 1
5 . 1478 . 1 1 8 NLE HB3 H 29.619 12.085 1.447 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HB3 . . rr_1s1o 1
5 . 1479 . 1 1 8 NLE HD2 H 26.743 10.956 2.022 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HD2 . . rr_1s1o 1
5 . 1480 . 1 1 8 NLE HD3 H 27.779 10.542 0.639 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HD3 . . rr_1s1o 1
5 . 1481 . 1 1 8 NLE HE1 H 26.759 8.579 2.741 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE1 . . rr_1s1o 1
5 . 1482 . 1 1 8 NLE HE2 H 26.133 8.752 1.088 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE2 . . rr_1s1o 1
5 . 1483 . 1 1 8 NLE HE3 H 27.789 8.168 1.350 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HE3 . . rr_1s1o 1
5 . 1484 . 1 1 8 NLE HG2 H 29.539 9.748 2.206 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HG2 . . rr_1s1o 1
5 . 1485 . 1 1 8 NLE HG3 H 28.516 10.205 3.586 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE HG3 . . rr_1s1o 1
5 . 1486 . 1 1 8 NLE N N 31.603 11.321 3.082 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE N . . rr_1s1o 1
5 . 1487 . 1 1 8 NLE O O 30.863 14.220 2.320 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 8 DNE O . . rr_1s1o 1
5 . 1488 . 2 1 1 NLE C C 35.243 22.028 2.647 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE C . . rr_1s1o 1
5 . 1489 . 2 1 1 NLE CA C 36.350 22.221 3.687 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CA . . rr_1s1o 1
5 . 1490 . 2 1 1 NLE CB C 35.807 22.956 4.922 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CB . . rr_1s1o 1
5 . 1491 . 2 1 1 NLE CD C 37.305 21.826 6.643 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CD . . rr_1s1o 1
5 . 1492 . 2 1 1 NLE CE C 38.227 22.075 7.840 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CE . . rr_1s1o 1
5 . 1493 . 2 1 1 NLE CG C 36.854 23.156 6.027 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE CG . . rr_1s1o 1
5 . 1494 . 2 1 1 NLE HA H 36.708 21.243 3.985 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HA . . rr_1s1o 1
5 . 1495 . 2 1 1 NLE HB2 H 35.439 23.936 4.612 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HB2 . . rr_1s1o 1
5 . 1496 . 2 1 1 NLE HB3 H 34.967 22.394 5.333 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HB3 . . rr_1s1o 1
5 . 1497 . 2 1 1 NLE HD2 H 36.430 21.267 6.976 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HD2 . . rr_1s1o 1
5 . 1498 . 2 1 1 NLE HD3 H 37.846 21.236 5.903 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HD3 . . rr_1s1o 1
5 . 1499 . 2 1 1 NLE HE1 H 39.115 22.616 7.510 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE1 . . rr_1s1o 1
5 . 1500 . 2 1 1 NLE HE2 H 37.705 22.670 8.590 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE2 . . rr_1s1o 1
5 . 1501 . 2 1 1 NLE HE3 H 38.653 20.745 8.467 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HE3 . . rr_1s1o 1
5 . 1502 . 2 1 1 NLE HG2 H 37.719 23.691 5.635 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HG2 . . rr_1s1o 1
5 . 1503 . 2 1 1 NLE HG3 H 36.401 23.765 6.811 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE HG3 . . rr_1s1o 1
5 . 1504 . 2 1 1 NLE N N 37.443 22.990 3.101 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE N . . rr_1s1o 1
5 . 1505 . 2 1 1 NLE O O 35.213 22.754 1.653 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 1 NLE O . . rr_1s1o 1
5 . 1506 . 2 1 2 NLE C C 32.782 19.375 1.950 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE C . . rr_1s1o 1
5 . 1507 . 2 1 2 NLE CA C 33.183 20.853 1.985 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CA . . rr_1s1o 1
5 . 1508 . 2 1 2 NLE CB C 31.975 21.683 2.451 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CB . . rr_1s1o 1
5 . 1509 . 2 1 2 NLE CD C 30.959 23.956 2.841 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CD . . rr_1s1o 1
5 . 1510 . 2 1 2 NLE CE C 31.157 25.476 2.765 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CE . . rr_1s1o 1
5 . 1511 . 2 1 2 NLE CG C 32.249 23.191 2.527 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE CG . . rr_1s1o 1
5 . 1512 . 2 1 2 NLE H H 34.427 20.488 3.683 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE H . . rr_1s1o 1
5 . 1513 . 2 1 2 NLE HA H 33.456 21.155 0.976 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HA . . rr_1s1o 1
5 . 1514 . 2 1 2 NLE HB2 H 31.159 21.514 1.746 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HB2 . . rr_1s1o 1
5 . 1515 . 2 1 2 NLE HB3 H 31.658 21.332 3.435 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HB3 . . rr_1s1o 1
5 . 1516 . 2 1 2 NLE HD2 H 30.195 23.680 2.112 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HD2 . . rr_1s1o 1
5 . 1517 . 2 1 2 NLE HD3 H 30.605 23.683 3.836 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HD3 . . rr_1s1o 1
5 . 1518 . 2 1 2 NLE HE1 H 31.491 25.753 1.764 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE1 . . rr_1s1o 1
5 . 1519 . 2 1 2 NLE HE2 H 30.195 25.955 2.952 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE2 . . rr_1s1o 1
5 . 1520 . 2 1 2 NLE HE3 H 32.164 25.992 3.797 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HE3 . . rr_1s1o 1
5 . 1521 . 2 1 2 NLE HG2 H 32.975 23.385 3.315 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HG2 . . rr_1s1o 1
5 . 1522 . 2 1 2 NLE HG3 H 32.645 23.538 1.574 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE HG3 . . rr_1s1o 1
5 . 1523 . 2 1 2 NLE N N 34.327 21.080 2.864 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE N . . rr_1s1o 1
5 . 1524 . 2 1 2 NLE O O 33.017 18.646 2.913 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 2 DNE O . . rr_1s1o 1
5 . 1525 . 2 1 3 NLE C C 32.522 16.653 0.071 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE C . . rr_1s1o 1
5 . 1526 . 2 1 3 NLE CA C 31.539 17.623 0.728 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CA . . rr_1s1o 1
5 . 1527 . 2 1 3 NLE CB C 30.238 17.741 -0.080 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CB . . rr_1s1o 1
5 . 1528 . 2 1 3 NLE CD C 28.215 16.496 -1.012 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CD . . rr_1s1o 1
5 . 1529 . 2 1 3 NLE CE C 27.173 17.483 -0.473 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CE . . rr_1s1o 1
5 . 1530 . 2 1 3 NLE CG C 29.466 16.414 -0.129 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE CG . . rr_1s1o 1
5 . 1531 . 2 1 3 NLE H H 32.059 19.590 0.073 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE H . . rr_1s1o 1
5 . 1532 . 2 1 3 NLE HA H 31.273 17.254 1.718 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HA . . rr_1s1o 1
5 . 1533 . 2 1 3 NLE HB2 H 29.616 18.499 0.394 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HB2 . . rr_1s1o 1
5 . 1534 . 2 1 3 NLE HB3 H 30.471 18.061 -1.096 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HB3 . . rr_1s1o 1
5 . 1535 . 2 1 3 NLE HD2 H 28.501 16.786 -2.024 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HD2 . . rr_1s1o 1
5 . 1536 . 2 1 3 NLE HD3 H 27.767 15.502 -1.052 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HD3 . . rr_1s1o 1
5 . 1537 . 2 1 3 NLE HE1 H 26.947 17.246 0.568 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE1 . . rr_1s1o 1
5 . 1538 . 2 1 3 NLE HE2 H 27.553 18.503 -0.533 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE2 . . rr_1s1o 1
5 . 1539 . 2 1 3 NLE HE3 H 25.885 17.398 -1.294 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HE3 . . rr_1s1o 1
5 . 1540 . 2 1 3 NLE HG2 H 30.104 15.633 -0.545 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HG2 . . rr_1s1o 1
5 . 1541 . 2 1 3 NLE HG3 H 29.177 16.118 0.880 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE HG3 . . rr_1s1o 1
5 . 1542 . 2 1 3 NLE N N 32.140 18.949 0.859 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE N . . rr_1s1o 1
5 . 1543 . 2 1 3 NLE O O 33.127 16.982 -0.944 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 3 NLE O . . rr_1s1o 1
5 . 1544 . 2 1 4 NLE C C 33.926 13.475 1.247 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE C . . rr_1s1o 1
5 . 1545 . 2 1 4 NLE CA C 33.625 14.464 0.123 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CA . . rr_1s1o 1
5 . 1546 . 2 1 4 NLE CB C 33.042 13.782 -1.131 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CB . . rr_1s1o 1
5 . 1547 . 2 1 4 NLE CD C 35.263 13.399 -2.342 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CD . . rr_1s1o 1
5 . 1548 . 2 1 4 NLE CE C 36.098 12.356 -3.089 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CE . . rr_1s1o 1
5 . 1549 . 2 1 4 NLE CG C 33.975 12.763 -1.806 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE CG . . rr_1s1o 1
5 . 1550 . 2 1 4 NLE H H 32.121 15.198 1.429 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE H . . rr_1s1o 1
5 . 1551 . 2 1 4 NLE HA H 34.553 14.970 -0.143 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HA . . rr_1s1o 1
5 . 1552 . 2 1 4 NLE HB2 H 32.119 13.270 -0.853 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HB2 . . rr_1s1o 1
5 . 1553 . 2 1 4 NLE HB3 H 32.792 14.542 -1.871 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HB3 . . rr_1s1o 1
5 . 1554 . 2 1 4 NLE HD2 H 35.008 14.209 -3.026 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HD2 . . rr_1s1o 1
5 . 1555 . 2 1 4 NLE HD3 H 35.863 13.793 -1.522 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HD3 . . rr_1s1o 1
5 . 1556 . 2 1 4 NLE HE1 H 37.017 12.816 -3.451 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE1 . . rr_1s1o 1
5 . 1557 . 2 1 4 NLE HE2 H 36.354 11.535 -2.418 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE2 . . rr_1s1o 1
5 . 1558 . 2 1 4 NLE HE3 H 35.536 11.966 -3.938 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HE3 . . rr_1s1o 1
5 . 1559 . 2 1 4 NLE HG2 H 34.230 11.958 -1.117 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HG2 . . rr_1s1o 1
5 . 1560 . 2 1 4 NLE HG3 H 33.433 12.324 -2.646 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE HG3 . . rr_1s1o 1
5 . 1561 . 2 1 4 NLE N N 32.682 15.453 0.623 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE N . . rr_1s1o 1
5 . 1562 . 2 1 4 NLE O O 33.453 12.339 1.223 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 4 DNE O . . rr_1s1o 1
5 . 1563 . 2 1 5 NLE C C 35.334 13.721 4.638 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE C . . rr_1s1o 1
5 . 1564 . 2 1 5 NLE CA C 35.142 12.996 3.310 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CA . . rr_1s1o 1
5 . 1565 . 2 1 5 NLE CB C 36.404 12.235 2.872 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CB . . rr_1s1o 1
5 . 1566 . 2 1 5 NLE CD C 38.849 12.422 2.183 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CD . . rr_1s1o 1
5 . 1567 . 2 1 5 NLE CE C 38.728 11.498 0.968 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CE . . rr_1s1o 1
5 . 1568 . 2 1 5 NLE CG C 37.549 13.180 2.476 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE CG . . rr_1s1o 1
5 . 1569 . 2 1 5 NLE H H 35.028 14.862 2.254 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE H . . rr_1s1o 1
5 . 1570 . 2 1 5 NLE HA H 34.353 12.268 3.496 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HA . . rr_1s1o 1
5 . 1571 . 2 1 5 NLE HB2 H 36.735 11.588 3.685 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HB2 . . rr_1s1o 1
5 . 1572 . 2 1 5 NLE HB3 H 36.142 11.607 2.020 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HB3 . . rr_1s1o 1
5 . 1573 . 2 1 5 NLE HD2 H 39.633 13.153 1.982 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HD2 . . rr_1s1o 1
5 . 1574 . 2 1 5 NLE HD3 H 39.140 11.837 3.057 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HD3 . . rr_1s1o 1
5 . 1575 . 2 1 5 NLE HE1 H 38.042 10.676 1.177 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE1 . . rr_1s1o 1
5 . 1576 . 2 1 5 NLE HE2 H 38.369 12.060 0.105 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE2 . . rr_1s1o 1
5 . 1577 . 2 1 5 NLE HE3 H 39.708 11.079 0.735 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HE3 . . rr_1s1o 1
5 . 1578 . 2 1 5 NLE HG2 H 37.268 13.761 1.596 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HG2 . . rr_1s1o 1
5 . 1579 . 2 1 5 NLE HG3 H 37.744 13.869 3.297 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE HG3 . . rr_1s1o 1
5 . 1580 . 2 1 5 NLE N N 34.710 13.894 2.242 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE N . . rr_1s1o 1
5 . 1581 . 2 1 5 NLE O O 35.385 14.945 4.676 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 5 NLE O . . rr_1s1o 1
5 . 1582 . 2 1 6 NLE C C 34.522 12.586 7.889 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE C . . rr_1s1o 1
5 . 1583 . 2 1 6 NLE CA C 35.543 13.399 7.094 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CA . . rr_1s1o 1
5 . 1584 . 2 1 6 NLE CB C 36.968 13.171 7.619 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CB . . rr_1s1o 1
5 . 1585 . 2 1 6 NLE CD C 39.374 13.979 7.529 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CD . . rr_1s1o 1
5 . 1586 . 2 1 6 NLE CE C 39.979 12.573 7.555 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CE . . rr_1s1o 1
5 . 1587 . 2 1 6 NLE CG C 37.997 14.012 6.853 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE CG . . rr_1s1o 1
5 . 1588 . 2 1 6 NLE H H 35.399 11.947 5.576 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE H . . rr_1s1o 1
5 . 1589 . 2 1 6 NLE HA H 35.305 14.460 7.178 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HA . . rr_1s1o 1
5 . 1590 . 2 1 6 NLE HB2 H 36.992 13.451 8.673 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HB2 . . rr_1s1o 1
5 . 1591 . 2 1 6 NLE HB3 H 37.218 12.114 7.530 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HB3 . . rr_1s1o 1
5 . 1592 . 2 1 6 NLE HD2 H 40.049 14.631 6.975 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HD2 . . rr_1s1o 1
5 . 1593 . 2 1 6 NLE HD3 H 39.293 14.357 8.549 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HD3 . . rr_1s1o 1
5 . 1594 . 2 1 6 NLE HE1 H 39.997 12.156 6.547 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE1 . . rr_1s1o 1
5 . 1595 . 2 1 6 NLE HE2 H 41.000 12.628 7.934 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE2 . . rr_1s1o 1
5 . 1596 . 2 1 6 NLE HE3 H 39.402 11.922 8.210 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HE3 . . rr_1s1o 1
5 . 1597 . 2 1 6 NLE HG2 H 38.088 13.643 5.830 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HG2 . . rr_1s1o 1
5 . 1598 . 2 1 6 NLE HG3 H 37.657 15.048 6.818 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE HG3 . . rr_1s1o 1
5 . 1599 . 2 1 6 NLE N N 35.435 12.950 5.718 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE N . . rr_1s1o 1
5 . 1600 . 2 1 6 NLE O O 34.779 11.429 8.224 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 6 DNE O . . rr_1s1o 1
5 . 1601 . 2 1 7 NLE C C 31.332 11.891 7.799 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE C . . rr_1s1o 1
5 . 1602 . 2 1 7 NLE CA C 32.256 12.519 8.844 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CA . . rr_1s1o 1
5 . 1603 . 2 1 7 NLE CB C 31.512 13.495 9.767 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CB . . rr_1s1o 1
5 . 1604 . 2 1 7 NLE CD C 30.035 15.563 9.912 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CD . . rr_1s1o 1
5 . 1605 . 2 1 7 NLE CE C 30.641 16.007 11.247 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CE . . rr_1s1o 1
5 . 1606 . 2 1 7 NLE CG C 31.029 14.768 9.058 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE CG . . rr_1s1o 1
5 . 1607 . 2 1 7 NLE H H 33.219 14.123 7.831 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE H . . rr_1s1o 1
5 . 1608 . 2 1 7 NLE HA H 32.642 11.732 9.484 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HA . . rr_1s1o 1
5 . 1609 . 2 1 7 NLE HB2 H 30.654 12.974 10.195 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HB2 . . rr_1s1o 1
5 . 1610 . 2 1 7 NLE HB3 H 32.184 13.774 10.579 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HB3 . . rr_1s1o 1
5 . 1611 . 2 1 7 NLE HD2 H 29.736 16.451 9.353 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HD2 . . rr_1s1o 1
5 . 1612 . 2 1 7 NLE HD3 H 29.147 14.959 10.102 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HD3 . . rr_1s1o 1
5 . 1613 . 2 1 7 NLE HE1 H 31.581 16.533 11.076 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE1 . . rr_1s1o 1
5 . 1614 . 2 1 7 NLE HE2 H 29.945 16.676 11.753 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE2 . . rr_1s1o 1
5 . 1615 . 2 1 7 NLE HE3 H 30.821 15.144 11.888 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HE3 . . rr_1s1o 1
5 . 1616 . 2 1 7 NLE HG2 H 31.885 15.403 8.837 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HG2 . . rr_1s1o 1
5 . 1617 . 2 1 7 NLE HG3 H 30.536 14.507 8.122 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE HG3 . . rr_1s1o 1
5 . 1618 . 2 1 7 NLE N N 33.361 13.176 8.165 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE N . . rr_1s1o 1
5 . 1619 . 2 1 7 NLE O O 31.295 12.343 6.653 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 7 NLE O . . rr_1s1o 1
5 . 1620 . 2 1 8 NLE C C 29.711 8.682 7.565 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE C . . rr_1s1o 1
5 . 1621 . 2 1 8 NLE CA C 29.598 10.193 7.359 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CA . . rr_1s1o 1
5 . 1622 . 2 1 8 NLE CB C 28.188 10.692 7.708 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CB . . rr_1s1o 1
5 . 1623 . 2 1 8 NLE CD C 26.582 12.663 7.551 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CD . . rr_1s1o 1
5 . 1624 . 2 1 8 NLE CE C 25.984 12.447 8.945 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CE . . rr_1s1o 1
5 . 1625 . 2 1 8 NLE CG C 28.042 12.202 7.467 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE CG . . rr_1s1o 1
5 . 1626 . 2 1 8 NLE H H 30.682 10.533 9.150 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE H . . rr_1s1o 1
5 . 1627 . 2 1 8 NLE HA H 29.768 10.419 6.309 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HA . . rr_1s1o 1
5 . 1628 . 2 1 8 NLE HB2 H 27.473 10.165 7.076 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HB2 . . rr_1s1o 1
5 . 1629 . 2 1 8 NLE HB3 H 27.974 10.462 8.752 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HB3 . . rr_1s1o 1
5 . 1630 . 2 1 8 NLE HD2 H 26.545 13.728 7.320 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HD2 . . rr_1s1o 1
5 . 1631 . 2 1 8 NLE HD3 H 25.983 12.128 6.813 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HD3 . . rr_1s1o 1
5 . 1632 . 2 1 8 NLE HE1 H 25.900 11.383 9.164 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE1 . . rr_1s1o 1
5 . 1633 . 2 1 8 NLE HE2 H 26.611 12.925 9.698 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE2 . . rr_1s1o 1
5 . 1634 . 2 1 8 NLE HE3 H 24.988 12.889 8.980 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HE3 . . rr_1s1o 1
5 . 1635 . 2 1 8 NLE HG2 H 28.629 12.753 8.202 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HG2 . . rr_1s1o 1
5 . 1636 . 2 1 8 NLE HG3 H 28.416 12.442 6.471 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE HG3 . . rr_1s1o 1
5 . 1637 . 2 1 8 NLE N N 30.577 10.868 8.197 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE N . . rr_1s1o 1
5 . 1638 . 2 1 8 NLE O O 29.331 8.186 8.625 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 8 DNE O . . rr_1s1o 1
5 . 1639 . 3 2 1 BOC C C 36.702 -0.119 10.645 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C . . rr_1s1o 1
5 . 1640 . 3 2 1 BOC C1 C 39.322 -0.871 13.106 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C1 . . rr_1s1o 1
5 . 1641 . 3 2 1 BOC C2 C 39.732 -0.035 10.815 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C2 . . rr_1s1o 1
5 . 1642 . 3 2 1 BOC C3 C 38.556 1.408 12.541 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC C3 . . rr_1s1o 1
5 . 1643 . 3 2 1 BOC CT C 38.729 -0.013 11.981 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC CT . . rr_1s1o 1
5 . 1644 . 3 2 1 BOC H11 H 39.458 -1.896 12.758 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H11 . . rr_1s1o 1
5 . 1645 . 3 2 1 BOC H12 H 40.287 -0.477 13.426 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H12 . . rr_1s1o 1
5 . 1646 . 3 2 1 BOC H13 H 38.643 -0.881 13.960 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H13 . . rr_1s1o 1
5 . 1647 . 3 2 1 BOC H21 H 39.816 -1.047 10.419 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H21 . . rr_1s1o 1
5 . 1648 . 3 2 1 BOC H22 H 39.420 0.631 10.011 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H22 . . rr_1s1o 1
5 . 1649 . 3 2 1 BOC H23 H 40.712 0.291 11.163 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H23 . . rr_1s1o 1
5 . 1650 . 3 2 1 BOC H31 H 37.781 1.413 13.308 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H31 . . rr_1s1o 1
5 . 1651 . 3 2 1 BOC H32 H 39.493 1.747 12.985 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H32 . . rr_1s1o 1
5 . 1652 . 3 2 1 BOC H33 H 38.288 2.113 11.756 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC H33 . . rr_1s1o 1
5 . 1653 . 3 2 1 BOC O1 O 36.986 0.932 10.076 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC O1 . . rr_1s1o 1
5 . 1654 . 3 2 1 BOC O2 O 37.491 -0.642 11.648 . . . 1.0 . . . . . . . . . . . . . . . . . A . . 17 BOC O2 . . rr_1s1o 1
5 . 1655 . 4 2 1 BOC C C 38.664 22.526 2.825 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C . . rr_1s1o 1
5 . 1656 . 4 2 1 BOC C1 C 41.682 22.503 3.220 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C1 . . rr_1s1o 1
5 . 1657 . 4 2 1 BOC C2 C 40.921 21.749 0.917 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C2 . . rr_1s1o 1
5 . 1658 . 4 2 1 BOC C3 C 41.628 24.081 1.316 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC C3 . . rr_1s1o 1
5 . 1659 . 4 2 1 BOC CT C 40.903 22.888 1.951 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC CT . . rr_1s1o 1
5 . 1660 . 4 2 1 BOC H11 H 41.285 21.594 3.670 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H11 . . rr_1s1o 1
5 . 1661 . 4 2 1 BOC H12 H 42.729 22.327 2.973 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H12 . . rr_1s1o 1
5 . 1662 . 4 2 1 BOC H13 H 41.623 23.312 3.949 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H13 . . rr_1s1o 1
5 . 1663 . 4 2 1 BOC H21 H 40.515 20.828 1.332 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H21 . . rr_1s1o 1
5 . 1664 . 4 2 1 BOC H22 H 40.338 22.032 0.041 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H22 . . rr_1s1o 1
5 . 1665 . 4 2 1 BOC H23 H 41.947 21.551 0.606 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H23 . . rr_1s1o 1
5 . 1666 . 4 2 1 BOC H31 H 41.644 24.920 2.013 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H31 . . rr_1s1o 1
5 . 1667 . 4 2 1 BOC H32 H 42.655 23.818 1.059 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H32 . . rr_1s1o 1
5 . 1668 . 4 2 1 BOC H33 H 41.106 24.394 0.410 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC H33 . . rr_1s1o 1
5 . 1669 . 4 2 1 BOC O1 O 38.922 21.357 3.098 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC O1 . . rr_1s1o 1
5 . 1670 . 4 2 1 BOC O2 O 39.588 23.363 2.237 . . . 1.0 . . . . . . . . . . . . . . . . . B . . 17 BOC O2 . . rr_1s1o 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_1s1o
_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 1s1o.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1s1o 1
1 1s1o.mr . . unknown 2 distance NOE simple 0 rr_1s1o 1
1 1s1o.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1s1o 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_1s1o
_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 DE NOVO PROTEIN 07-JAN-04 1S1O *TITLE NMR STRUCTURE OF A D,L ALTERNATING PENTADECAMER OF *TITLE 2 NORLEUCINE: DOUBLE ANTIPARALLEL BETA-HELIX *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: BOC-L-NLE-(D-NLE-L-NLE)5-D-NLE(METHYL)-L-NLE-D- *COMPND 3 NLE-L-NLE METHYL ESTER; *COMPND 4 CHAIN: A, B; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMIMCALLY SYNTHESIZED. *KEYWDS BETA-HELIX, GRAMICIDIN, NORLEUCINE, D,L-ALTERNATING *EXPDTA NMR, 5 STRUCTURES *AUTHOR E.NAVARRO, E.FENNUDE, B.CELDA *REVDAT 1 24-FEB-04 1S1O 0 "
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