data_19106 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The protease-resistant N-terminal domain of TIR-domain containing adaptor molecule-1, TICAM-1 ; _BMRB_accession_number 19106 _BMRB_flat_file_name bmr19106.str _Entry_type original _Submission_date 2013-03-20 _Accession_date 2013-03-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kumeta Hiroyuki . . 2 Enokizono Yoshiaki . . 3 Sakakibara Hiromi . . 4 Ogura Kenji . . 5 Matsumoto Misako . . 6 Seya Tsukasa . . 7 Inagaki Fuyuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 951 "13C chemical shifts" 692 "15N chemical shifts" 174 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-04 update BMRB 'update entry citation' 2014-02-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The N-terminal domain of TIR domain-containing adaptor molecule-1, TICAM-1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24500696 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kumeta Hiroyuki . . 2 Sakakibara Hiromi . . 3 Enokizono Yoshiaki . . 4 Ogura Kenji . . 5 Horiuchi Masataka . . 6 Matsumoto Misako . . 7 Seya Tsukasa . . 8 Inagaki Fuyuhiko . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 58 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 227 _Page_last 230 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TICAM-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TICAM-1 $TICAM-1_NTD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TICAM-1_NTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TICAM-1_NTD _Molecular_mass 17244.688 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; GPHMACTGPSLPSAFDILGA AGQDKLLYLKHKLKTPRPGC QGQDLLHAMVLLKLGQETEA RISLEALKADAVARLVARQW AGVDSTEDPEEPPDVSWAVA RLYHLLAEEKLCPASLRDVA YQEAVRTLSSRDDHRLGELQ DEARNRCGWDIAGDPGSIR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 PRO 3 0 HIS 4 1 MET 5 2 ALA 6 3 CYS 7 4 THR 8 5 GLY 9 6 PRO 10 7 SER 11 8 LEU 12 9 PRO 13 10 SER 14 11 ALA 15 12 PHE 16 13 ASP 17 14 ILE 18 15 LEU 19 16 GLY 20 17 ALA 21 18 ALA 22 19 GLY 23 20 GLN 24 21 ASP 25 22 LYS 26 23 LEU 27 24 LEU 28 25 TYR 29 26 LEU 30 27 LYS 31 28 HIS 32 29 LYS 33 30 LEU 34 31 LYS 35 32 THR 36 33 PRO 37 34 ARG 38 35 PRO 39 36 GLY 40 37 CYS 41 38 GLN 42 39 GLY 43 40 GLN 44 41 ASP 45 42 LEU 46 43 LEU 47 44 HIS 48 45 ALA 49 46 MET 50 47 VAL 51 48 LEU 52 49 LEU 53 50 LYS 54 51 LEU 55 52 GLY 56 53 GLN 57 54 GLU 58 55 THR 59 56 GLU 60 57 ALA 61 58 ARG 62 59 ILE 63 60 SER 64 61 LEU 65 62 GLU 66 63 ALA 67 64 LEU 68 65 LYS 69 66 ALA 70 67 ASP 71 68 ALA 72 69 VAL 73 70 ALA 74 71 ARG 75 72 LEU 76 73 VAL 77 74 ALA 78 75 ARG 79 76 GLN 80 77 TRP 81 78 ALA 82 79 GLY 83 80 VAL 84 81 ASP 85 82 SER 86 83 THR 87 84 GLU 88 85 ASP 89 86 PRO 90 87 GLU 91 88 GLU 92 89 PRO 93 90 PRO 94 91 ASP 95 92 VAL 96 93 SER 97 94 TRP 98 95 ALA 99 96 VAL 100 97 ALA 101 98 ARG 102 99 LEU 103 100 TYR 104 101 HIS 105 102 LEU 106 103 LEU 107 104 ALA 108 105 GLU 109 106 GLU 110 107 LYS 111 108 LEU 112 109 CYS 113 110 PRO 114 111 ALA 115 112 SER 116 113 LEU 117 114 ARG 118 115 ASP 119 116 VAL 120 117 ALA 121 118 TYR 122 119 GLN 123 120 GLU 124 121 ALA 125 122 VAL 126 123 ARG 127 124 THR 128 125 LEU 129 126 SER 130 127 SER 131 128 ARG 132 129 ASP 133 130 ASP 134 131 HIS 135 132 ARG 136 133 LEU 137 134 GLY 138 135 GLU 139 136 LEU 140 137 GLN 141 138 ASP 142 139 GLU 143 140 ALA 144 141 ARG 145 142 ASN 146 143 ARG 147 144 CYS 148 145 GLY 149 146 TRP 150 147 ASP 151 148 ILE 152 149 ALA 153 150 GLY 154 151 ASP 155 152 PRO 156 153 GLY 157 154 SER 158 155 ILE 159 156 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2M63 "The Protease-resistant N-terminal Domain Of Tir-domain Containing Adaptor Molecule-1, Ticam-1" 100.00 159 100.00 100.00 1.28e-109 PDB 4BSX "Crystal Structure Of The N Terminal Domain Of Trif (tir- Domain-containing Adapter-inducing Interferon-beta)" 95.60 156 98.03 98.03 2.46e-101 PDB 4C0M "Crystal Structure Of The N Terminal Domain Of Wild Type Trif (tir-domain-containing Adapter-inducing Interferon-beta)" 96.23 156 100.00 100.00 5.17e-105 DBJ BAC44839 "TIR domain containing adaptor inducing interferon-beta [Homo sapiens]" 98.11 712 100.00 100.00 2.38e-102 DBJ BAC55579 "TICAM-1 [Homo sapiens]" 98.11 712 100.00 100.00 2.38e-102 DBJ BAC77376 "putative NFkB activating protein [Homo sapiens]" 98.11 712 100.00 100.00 2.38e-102 DBJ BAG55261 "TIR domain-containing adaptor molecule 1 [Homo sapiens]" 98.11 712 100.00 100.00 2.38e-102 DBJ BAG55262 "TIR domain-containing adaptor molecule 1 [Pan troglodytes]" 98.11 713 100.00 100.00 2.65e-102 GB AAI36557 "Toll-like receptor adaptor molecule 1 [Homo sapiens]" 98.11 712 100.00 100.00 2.38e-102 GB AAI36558 "Toll-like receptor adaptor molecule 1 [Homo sapiens]" 98.11 712 100.00 100.00 2.38e-102 GB AIC61374 "TICAM1, partial [synthetic construct]" 98.11 397 100.00 100.00 1.95e-106 GB EAW69193 "hCG1811753, isoform CRA_a [Homo sapiens]" 98.11 395 100.00 100.00 1.09e-105 GB EAW69194 "hCG1811753, isoform CRA_b, partial [Homo sapiens]" 98.11 308 100.00 100.00 4.28e-105 REF NP_001123604 "TIR domain-containing adapter molecule 1 [Pan troglodytes]" 98.11 713 100.00 100.00 2.65e-102 REF NP_001266155 "TIR domain-containing adapter molecule 1 [Pan paniscus]" 98.11 711 100.00 100.00 2.16e-102 REF NP_001266518 "toll-like receptor adaptor molecule 1 [Gorilla gorilla]" 98.11 712 100.00 100.00 2.05e-102 REF NP_891549 "TIR domain-containing adapter molecule 1 [Homo sapiens]" 98.11 712 100.00 100.00 2.38e-102 REF XP_002828536 "PREDICTED: LOW QUALITY PROTEIN: TIR domain-containing adapter molecule 1 [Pongo abelii]" 98.11 643 98.72 100.00 8.64e-102 SP Q8IUC6 "RecName: Full=TIR domain-containing adapter molecule 1; Short=TICAM-1; AltName: Full=Proline-rich, vinculin and TIR domain-cont" 98.11 712 100.00 100.00 2.38e-102 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TICAM-1_NTD Humans 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $TICAM-1_NTD 'recombinant technology' . Escherichia coli . pGEX-6p stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TICAM-1_NTD 0.75 mM '[U-99% 13C; U-99% 15N]' DTT 3 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' DSS 0.02 mg/mL 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity INOVA' _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity INOVA' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)HA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)HA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TICAM-1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -2 1 GLY HA2 H 3.946 0.000 . 2 -2 1 GLY HA3 H 3.946 0.000 . 3 -2 1 GLY CA C 43.341 0.000 . 4 -1 2 PRO HA H 4.430 0.000 . 5 -1 2 PRO HB2 H 1.838 0.000 . 6 -1 2 PRO HB3 H 2.239 0.000 . 7 -1 2 PRO HG2 H 1.920 0.000 . 8 -1 2 PRO HG3 H 1.975 0.000 . 9 -1 2 PRO HD2 H 3.528 0.000 . 10 -1 2 PRO HD3 H 3.528 0.000 . 11 -1 2 PRO C C 176.564 0.000 . 12 -1 2 PRO CA C 62.990 0.000 . 13 -1 2 PRO CB C 32.288 0.000 . 14 -1 2 PRO CG C 26.962 0.000 . 15 -1 2 PRO CD C 49.595 0.000 . 16 0 3 HIS H H 8.600 0.000 . 17 0 3 HIS HA H 4.608 0.000 . 18 0 3 HIS HB2 H 3.128 0.000 . 19 0 3 HIS HB3 H 3.128 0.000 . 20 0 3 HIS HD2 H 7.088 0.000 . 21 0 3 HIS HE1 H 8.069 0.000 . 22 0 3 HIS C C 175.004 0.000 . 23 0 3 HIS CA C 56.151 0.000 . 24 0 3 HIS CB C 30.151 0.000 . 25 0 3 HIS CD2 C 120.049 0.000 . 26 0 3 HIS CE1 C 137.775 0.000 . 27 0 3 HIS N N 120.043 0.000 . 28 1 4 MET H H 8.334 0.000 . 29 1 4 MET HA H 4.438 0.000 . 30 1 4 MET HB2 H 1.951 0.000 . 31 1 4 MET HB3 H 2.048 0.000 . 32 1 4 MET HG2 H 2.468 0.000 . 33 1 4 MET HG3 H 2.532 0.000 . 34 1 4 MET HE H 2.065 0.000 . 35 1 4 MET C C 175.498 0.000 . 36 1 4 MET CA C 55.209 0.000 . 37 1 4 MET CB C 33.127 0.000 . 38 1 4 MET CG C 31.845 0.000 . 39 1 4 MET CE C 16.963 0.000 . 40 1 4 MET N N 122.578 0.000 . 41 2 5 ALA H H 8.413 0.000 . 42 2 5 ALA HA H 4.321 0.000 . 43 2 5 ALA HB H 1.387 0.000 . 44 2 5 ALA C C 177.475 0.000 . 45 2 5 ALA CA C 52.543 0.000 . 46 2 5 ALA CB C 19.224 0.000 . 47 2 5 ALA N N 125.676 0.000 . 48 3 6 CYS H H 8.396 0.000 . 49 3 6 CYS HA H 4.582 0.000 . 50 3 6 CYS HB2 H 2.952 0.000 . 51 3 6 CYS HB3 H 2.952 0.000 . 52 3 6 CYS C C 174.779 0.000 . 53 3 6 CYS CA C 58.348 0.000 . 54 3 6 CYS CB C 28.183 0.000 . 55 3 6 CYS N N 118.706 0.000 . 56 4 7 THR H H 8.211 0.000 . 57 4 7 THR HA H 4.377 0.000 . 58 4 7 THR HB H 4.282 0.000 . 59 4 7 THR HG2 H 1.200 0.000 . 60 4 7 THR C C 174.653 0.000 . 61 4 7 THR CA C 61.719 0.000 . 62 4 7 THR CB C 69.767 0.000 . 63 4 7 THR CG2 C 21.638 0.000 . 64 4 7 THR N N 115.763 0.000 . 65 5 8 GLY H H 8.222 0.000 . 66 5 8 GLY HA2 H 4.099 0.000 . 67 5 8 GLY HA3 H 3.897 0.000 . 68 5 8 GLY CA C 44.433 0.000 . 69 5 8 GLY N N 110.808 0.000 . 70 6 9 PRO HA H 4.189 0.000 . 71 6 9 PRO HB2 H 1.060 0.000 . 72 6 9 PRO HB3 H 0.702 0.000 . 73 6 9 PRO HG2 H 1.482 0.000 . 74 6 9 PRO HG3 H 1.751 0.000 . 75 6 9 PRO HD2 H 3.400 0.000 . 76 6 9 PRO HD3 H 3.462 0.000 . 77 6 9 PRO C C 175.723 0.000 . 78 6 9 PRO CA C 63.210 0.000 . 79 6 9 PRO CB C 31.090 0.000 . 80 6 9 PRO CG C 27.460 0.000 . 81 6 9 PRO CD C 49.352 0.000 . 82 7 10 SER H H 8.078 0.000 . 83 7 10 SER HA H 4.607 0.000 . 84 7 10 SER HB2 H 4.118 0.000 . 85 7 10 SER HB3 H 4.182 0.000 . 86 7 10 SER C C 173.309 0.000 . 87 7 10 SER CA C 57.647 0.000 . 88 7 10 SER CB C 65.566 0.000 . 89 7 10 SER N N 115.811 0.000 . 90 8 11 LEU H H 9.890 0.000 . 91 8 11 LEU HA H 4.303 0.000 . 92 8 11 LEU HB2 H 1.676 0.000 . 93 8 11 LEU HB3 H 1.810 0.000 . 94 8 11 LEU HG H 1.653 0.000 . 95 8 11 LEU HD1 H 0.710 0.000 . 96 8 11 LEU HD2 H 0.844 0.000 . 97 8 11 LEU CA C 59.649 0.000 . 98 8 11 LEU CB C 39.579 0.000 . 99 8 11 LEU CG C 27.235 0.000 . 100 8 11 LEU CD1 C 24.512 0.000 . 101 8 11 LEU CD2 C 24.905 0.000 . 102 8 11 LEU N N 121.865 0.000 . 103 9 12 PRO HA H 4.561 0.000 . 104 9 12 PRO HB2 H 2.606 0.000 . 105 9 12 PRO HB3 H 2.071 0.000 . 106 9 12 PRO HG2 H 2.190 0.000 . 107 9 12 PRO HG3 H 2.366 0.000 . 108 9 12 PRO HD2 H 3.953 0.000 . 109 9 12 PRO HD3 H 4.041 0.000 . 110 9 12 PRO C C 179.805 0.000 . 111 9 12 PRO CA C 66.441 0.000 . 112 9 12 PRO CB C 31.042 0.000 . 113 9 12 PRO CG C 28.921 0.000 . 114 9 12 PRO CD C 49.892 0.000 . 115 10 13 SER H H 7.984 0.000 . 116 10 13 SER HA H 4.356 0.000 . 117 10 13 SER HB2 H 4.076 0.000 . 118 10 13 SER HB3 H 4.133 0.000 . 119 10 13 SER C C 176.255 0.000 . 120 10 13 SER CA C 62.273 0.000 . 121 10 13 SER CB C 62.789 0.000 . 122 10 13 SER N N 114.120 0.000 . 123 11 14 ALA H H 8.407 0.000 . 124 11 14 ALA HA H 3.749 0.000 . 125 11 14 ALA HB H 1.235 0.000 . 126 11 14 ALA C C 179.178 0.000 . 127 11 14 ALA CA C 55.193 0.000 . 128 11 14 ALA CB C 17.365 0.000 . 129 11 14 ALA N N 126.630 0.000 . 130 12 15 PHE H H 7.743 0.000 . 131 12 15 PHE HA H 3.937 0.000 . 132 12 15 PHE HB2 H 2.799 0.000 . 133 12 15 PHE HB3 H 2.959 0.000 . 134 12 15 PHE HD1 H 6.600 0.000 . 135 12 15 PHE HD2 H 6.600 0.000 . 136 12 15 PHE HE1 H 6.587 0.000 . 137 12 15 PHE HE2 H 6.587 0.000 . 138 12 15 PHE HZ H 6.673 0.000 . 139 12 15 PHE C C 178.386 0.000 . 140 12 15 PHE CA C 62.011 0.000 . 141 12 15 PHE CB C 38.775 0.000 . 142 12 15 PHE CD2 C 130.662 0.000 . 143 12 15 PHE CE2 C 130.260 0.000 . 144 12 15 PHE CZ C 128.211 0.000 . 145 12 15 PHE N N 116.698 0.000 . 146 13 16 ASP H H 7.914 0.000 . 147 13 16 ASP HA H 4.402 0.000 . 148 13 16 ASP HB2 H 2.698 0.000 . 149 13 16 ASP HB3 H 2.926 0.000 . 150 13 16 ASP C C 179.625 0.000 . 151 13 16 ASP CA C 57.354 0.000 . 152 13 16 ASP CB C 40.257 0.000 . 153 13 16 ASP N N 119.884 0.000 . 154 14 17 ILE H H 8.115 0.000 . 155 14 17 ILE HA H 3.640 0.000 . 156 14 17 ILE HB H 1.881 0.000 . 157 14 17 ILE HG12 H 1.031 0.000 . 158 14 17 ILE HG13 H 1.838 0.000 . 159 14 17 ILE HG2 H 0.707 0.000 . 160 14 17 ILE HD1 H 0.727 0.000 . 161 14 17 ILE C C 179.123 0.000 . 162 14 17 ILE CA C 65.438 0.000 . 163 14 17 ILE CB C 37.466 0.000 . 164 14 17 ILE CG1 C 29.676 0.000 . 165 14 17 ILE CG2 C 18.811 0.000 . 166 14 17 ILE CD1 C 14.183 0.000 . 167 14 17 ILE N N 123.303 0.000 . 168 15 18 LEU H H 7.648 0.000 . 169 15 18 LEU HA H 3.846 0.000 . 170 15 18 LEU HB2 H 1.184 0.000 . 171 15 18 LEU HB3 H 1.967 0.000 . 172 15 18 LEU HG H 1.711 0.000 . 173 15 18 LEU HD1 H 0.510 0.000 . 174 15 18 LEU HD2 H 0.578 0.000 . 175 15 18 LEU C C 178.603 0.000 . 176 15 18 LEU CA C 57.504 0.000 . 177 15 18 LEU CB C 42.035 0.000 . 178 15 18 LEU CG C 26.028 0.000 . 179 15 18 LEU CD1 C 22.472 0.000 . 180 15 18 LEU CD2 C 26.041 0.000 . 181 15 18 LEU N N 118.621 0.000 . 182 16 19 GLY H H 8.219 0.000 . 183 16 19 GLY HA2 H 3.940 0.000 . 184 16 19 GLY HA3 H 3.715 0.000 . 185 16 19 GLY C C 175.087 0.000 . 186 16 19 GLY CA C 46.778 0.000 . 187 16 19 GLY N N 103.419 0.000 . 188 17 20 ALA H H 7.607 0.000 . 189 17 20 ALA HA H 4.381 0.000 . 190 17 20 ALA HB H 1.456 0.000 . 191 17 20 ALA C C 178.051 0.000 . 192 17 20 ALA CA C 52.239 0.000 . 193 17 20 ALA CB C 18.869 0.000 . 194 17 20 ALA N N 121.895 0.000 . 195 18 21 ALA H H 7.474 0.000 . 196 18 21 ALA HA H 4.120 0.000 . 197 18 21 ALA HB H 1.473 0.000 . 198 18 21 ALA C C 178.427 0.000 . 199 18 21 ALA CA C 54.002 0.000 . 200 18 21 ALA CB C 19.091 0.000 . 201 18 21 ALA N N 121.318 0.000 . 202 19 22 GLY H H 7.624 0.000 . 203 19 22 GLY HA2 H 4.385 0.000 . 204 19 22 GLY HA3 H 3.819 0.000 . 205 19 22 GLY C C 173.477 0.000 . 206 19 22 GLY CA C 44.041 0.000 . 207 19 22 GLY N N 104.401 0.000 . 208 20 23 GLN H H 8.553 0.000 . 209 20 23 GLN HA H 3.810 0.000 . 210 20 23 GLN HB2 H 2.039 0.000 . 211 20 23 GLN HB3 H 2.136 0.000 . 212 20 23 GLN HG2 H 2.353 0.000 . 213 20 23 GLN HG3 H 2.353 0.000 . 214 20 23 GLN HE21 H 7.450 0.000 . 215 20 23 GLN HE22 H 6.835 0.000 . 216 20 23 GLN C C 177.255 0.000 . 217 20 23 GLN CA C 60.028 0.000 . 218 20 23 GLN CB C 29.092 0.000 . 219 20 23 GLN CG C 33.778 0.000 . 220 20 23 GLN CD C 179.755 0.000 . 221 20 23 GLN N N 120.141 0.000 . 222 20 23 GLN NE2 N 111.154 0.000 . 223 21 24 ASP H H 8.523 0.000 . 224 21 24 ASP HA H 4.353 0.000 . 225 21 24 ASP HB2 H 2.592 0.000 . 226 21 24 ASP HB3 H 2.656 0.000 . 227 21 24 ASP C C 179.392 0.000 . 228 21 24 ASP CA C 57.833 0.000 . 229 21 24 ASP CB C 39.786 0.000 . 230 21 24 ASP N N 116.957 0.000 . 231 22 25 LYS H H 8.155 0.000 . 232 22 25 LYS HA H 4.311 0.000 . 233 22 25 LYS HB2 H 1.783 0.000 . 234 22 25 LYS HB3 H 1.865 0.000 . 235 22 25 LYS HG2 H 1.596 0.000 . 236 22 25 LYS HG3 H 1.464 0.000 . 237 22 25 LYS HD2 H 1.789 0.000 . 238 22 25 LYS HD3 H 1.789 0.000 . 239 22 25 LYS HE2 H 2.913 0.000 . 240 22 25 LYS HE3 H 2.952 0.000 . 241 22 25 LYS C C 178.862 0.000 . 242 22 25 LYS CA C 57.487 0.000 . 243 22 25 LYS CB C 30.907 0.000 . 244 22 25 LYS CG C 24.537 0.000 . 245 22 25 LYS CD C 27.751 0.000 . 246 22 25 LYS CE C 41.730 0.000 . 247 22 25 LYS N N 121.936 0.000 . 248 23 26 LEU H H 8.174 0.000 . 249 23 26 LEU HA H 4.001 0.000 . 250 23 26 LEU HB2 H 1.192 0.000 . 251 23 26 LEU HB3 H 2.068 0.000 . 252 23 26 LEU HG H 1.885 0.000 . 253 23 26 LEU HD1 H 0.733 0.000 . 254 23 26 LEU HD2 H 0.846 0.000 . 255 23 26 LEU C C 178.787 0.000 . 256 23 26 LEU CA C 58.360 0.000 . 257 23 26 LEU CB C 41.243 0.000 . 258 23 26 LEU CG C 26.944 0.000 . 259 23 26 LEU CD1 C 25.856 0.000 . 260 23 26 LEU CD2 C 23.149 0.000 . 261 23 26 LEU N N 119.132 0.000 . 262 24 27 LEU H H 8.628 0.000 . 263 24 27 LEU HA H 3.930 0.000 . 264 24 27 LEU HB2 H 1.511 0.000 . 265 24 27 LEU HB3 H 1.983 0.000 . 266 24 27 LEU HG H 1.818 0.000 . 267 24 27 LEU HD1 H 0.899 0.000 . 268 24 27 LEU HD2 H 0.933 0.000 . 269 24 27 LEU C C 179.604 0.000 . 270 24 27 LEU CA C 58.249 0.000 . 271 24 27 LEU CB C 41.648 0.000 . 272 24 27 LEU CG C 26.947 0.000 . 273 24 27 LEU CD1 C 23.395 0.000 . 274 24 27 LEU CD2 C 25.413 0.000 . 275 24 27 LEU N N 120.186 0.000 . 276 25 28 TYR H H 7.720 0.000 . 277 25 28 TYR HA H 4.420 0.000 . 278 25 28 TYR HB2 H 3.285 0.000 . 279 25 28 TYR HB3 H 3.360 0.000 . 280 25 28 TYR HD1 H 7.164 0.000 . 281 25 28 TYR HD2 H 7.164 0.000 . 282 25 28 TYR HE1 H 6.878 0.000 . 283 25 28 TYR HE2 H 6.878 0.000 . 284 25 28 TYR C C 178.204 0.000 . 285 25 28 TYR CA C 60.727 0.000 . 286 25 28 TYR CB C 37.439 0.000 . 287 25 28 TYR CD2 C 133.532 0.000 . 288 25 28 TYR CE2 C 118.129 0.000 . 289 25 28 TYR N N 121.109 0.000 . 290 26 29 LEU H H 8.533 0.000 . 291 26 29 LEU HA H 3.722 0.000 . 292 26 29 LEU HB2 H 1.294 0.000 . 293 26 29 LEU HB3 H 2.099 0.000 . 294 26 29 LEU HG H 2.061 0.000 . 295 26 29 LEU HD1 H 0.714 0.000 . 296 26 29 LEU HD2 H 0.765 0.000 . 297 26 29 LEU C C 177.963 0.000 . 298 26 29 LEU CA C 57.609 0.000 . 299 26 29 LEU CB C 42.090 0.000 . 300 26 29 LEU CG C 26.798 0.000 . 301 26 29 LEU CD1 C 25.489 0.000 . 302 26 29 LEU CD2 C 22.532 0.000 . 303 26 29 LEU N N 121.381 0.000 . 304 27 30 LYS H H 8.695 0.000 . 305 27 30 LYS HA H 3.648 0.000 . 306 27 30 LYS HB2 H 1.648 0.000 . 307 27 30 LYS HB3 H 1.977 0.000 . 308 27 30 LYS HG2 H 1.204 0.000 . 309 27 30 LYS HG3 H 1.204 0.000 . 310 27 30 LYS HD2 H 1.469 0.000 . 311 27 30 LYS HD3 H 1.469 0.000 . 312 27 30 LYS HE2 H 2.851 0.000 . 313 27 30 LYS HE3 H 2.911 0.000 . 314 27 30 LYS C C 176.817 0.000 . 315 27 30 LYS CA C 59.880 0.000 . 316 27 30 LYS CB C 32.131 0.000 . 317 27 30 LYS CG C 25.155 0.000 . 318 27 30 LYS CD C 30.007 0.000 . 319 27 30 LYS CE C 42.069 0.000 . 320 27 30 LYS N N 120.589 0.000 . 321 28 31 HIS H H 7.097 0.000 . 322 28 31 HIS HA H 4.396 0.000 . 323 28 31 HIS HB2 H 3.158 0.000 . 324 28 31 HIS HB3 H 3.158 0.000 . 325 28 31 HIS HD2 H 7.054 0.000 . 326 28 31 HIS HE1 H 7.893 0.000 . 327 28 31 HIS C C 177.753 0.000 . 328 28 31 HIS CA C 58.518 0.000 . 329 28 31 HIS CB C 30.131 0.000 . 330 28 31 HIS CD2 C 120.179 0.000 . 331 28 31 HIS CE1 C 138.096 0.000 . 332 28 31 HIS N N 113.296 0.000 . 333 29 32 LYS H H 8.326 0.000 . 334 29 32 LYS HA H 3.833 0.000 . 335 29 32 LYS HB2 H 1.365 0.000 . 336 29 32 LYS HB3 H 1.365 0.000 . 337 29 32 LYS HG2 H 1.198 0.000 . 338 29 32 LYS HG3 H 1.198 0.000 . 339 29 32 LYS HD2 H 1.405 0.000 . 340 29 32 LYS HD3 H 1.546 0.000 . 341 29 32 LYS HE2 H 2.799 0.000 . 342 29 32 LYS HE3 H 2.931 0.000 . 343 29 32 LYS C C 178.988 0.000 . 344 29 32 LYS CA C 59.001 0.000 . 345 29 32 LYS CB C 33.765 0.000 . 346 29 32 LYS CG C 24.889 0.000 . 347 29 32 LYS CD C 29.658 0.000 . 348 29 32 LYS CE C 42.013 0.000 . 349 29 32 LYS N N 120.962 0.000 . 350 30 33 LEU H H 8.390 0.000 . 351 30 33 LEU HA H 4.148 0.000 . 352 30 33 LEU HB2 H 1.667 0.000 . 353 30 33 LEU HB3 H 1.736 0.000 . 354 30 33 LEU HG H 1.867 0.000 . 355 30 33 LEU HD1 H 0.763 0.000 . 356 30 33 LEU HD2 H 0.826 0.000 . 357 30 33 LEU C C 175.849 0.000 . 358 30 33 LEU CA C 55.251 0.000 . 359 30 33 LEU CB C 41.460 0.000 . 360 30 33 LEU CG C 26.742 0.000 . 361 30 33 LEU CD1 C 27.003 0.000 . 362 30 33 LEU CD2 C 21.627 0.000 . 363 30 33 LEU N N 113.735 0.000 . 364 31 34 LYS H H 6.864 0.000 . 365 31 34 LYS HA H 3.640 0.000 . 366 31 34 LYS HB2 H 1.687 0.000 . 367 31 34 LYS HB3 H 1.722 0.000 . 368 31 34 LYS HG2 H 1.218 0.000 . 369 31 34 LYS HG3 H 1.284 0.000 . 370 31 34 LYS HD2 H 1.446 0.000 . 371 31 34 LYS HD3 H 1.508 0.000 . 372 31 34 LYS HE2 H 2.798 0.000 . 373 31 34 LYS HE3 H 2.840 0.000 . 374 31 34 LYS C C 176.422 0.000 . 375 31 34 LYS CA C 56.562 0.000 . 376 31 34 LYS CB C 32.147 0.000 . 377 31 34 LYS CG C 24.141 0.000 . 378 31 34 LYS CD C 28.673 0.000 . 379 31 34 LYS CE C 41.834 0.000 . 380 31 34 LYS N N 116.451 0.000 . 381 32 35 THR H H 7.208 0.000 . 382 32 35 THR HA H 4.492 0.000 . 383 32 35 THR HB H 4.065 0.000 . 384 32 35 THR HG2 H 1.180 0.000 . 385 32 35 THR CA C 59.774 0.000 . 386 32 35 THR CB C 69.772 0.000 . 387 32 35 THR CG2 C 21.252 0.000 . 388 32 35 THR N N 116.245 0.000 . 389 33 36 PRO HA H 4.228 0.000 . 390 33 36 PRO HB2 H 2.201 0.000 . 391 33 36 PRO HB3 H 1.805 0.000 . 392 33 36 PRO HG2 H 1.929 0.000 . 393 33 36 PRO HG3 H 2.034 0.000 . 394 33 36 PRO HD2 H 3.653 0.000 . 395 33 36 PRO HD3 H 3.924 0.000 . 396 33 36 PRO C C 176.358 0.000 . 397 33 36 PRO CA C 63.381 0.000 . 398 33 36 PRO CB C 32.235 0.000 . 399 33 36 PRO CG C 27.448 0.000 . 400 33 36 PRO CD C 51.227 0.000 . 401 34 37 ARG H H 8.454 0.000 . 402 34 37 ARG HA H 4.740 0.000 . 403 34 37 ARG HB2 H 1.710 0.000 . 404 34 37 ARG HB3 H 1.830 0.000 . 405 34 37 ARG HG2 H 1.640 0.000 . 406 34 37 ARG HG3 H 1.640 0.000 . 407 34 37 ARG HD2 H 3.153 0.000 . 408 34 37 ARG HD3 H 3.153 0.000 . 409 34 37 ARG HE H 7.205 0.000 . 410 34 37 ARG CA C 53.276 0.000 . 411 34 37 ARG CB C 32.121 0.000 . 412 34 37 ARG CG C 26.904 0.000 . 413 34 37 ARG CD C 43.668 0.000 . 414 34 37 ARG CZ C 159.860 0.000 . 415 34 37 ARG N N 123.301 0.000 . 416 34 37 ARG NE N 85.171 0.000 . 417 35 38 PRO HA H 4.337 0.000 . 418 35 38 PRO HB2 H 2.279 0.000 . 419 35 38 PRO HB3 H 1.887 0.000 . 420 35 38 PRO HG2 H 1.975 0.000 . 421 35 38 PRO HG3 H 2.075 0.000 . 422 35 38 PRO HD2 H 3.638 0.000 . 423 35 38 PRO HD3 H 3.727 0.000 . 424 35 38 PRO C C 177.915 0.000 . 425 35 38 PRO CA C 63.486 0.000 . 426 35 38 PRO CB C 31.830 0.000 . 427 35 38 PRO CG C 27.468 0.000 . 428 35 38 PRO CD C 50.663 0.000 . 429 36 39 GLY H H 8.818 0.000 . 430 36 39 GLY HA2 H 4.049 0.000 . 431 36 39 GLY HA3 H 3.850 0.000 . 432 36 39 GLY C C 174.396 0.000 . 433 36 39 GLY CA C 45.990 0.000 . 434 36 39 GLY N N 110.579 0.000 . 435 37 40 CYS H H 7.714 0.000 . 436 37 40 CYS HA H 4.696 0.000 . 437 37 40 CYS HB2 H 2.803 0.000 . 438 37 40 CYS HB3 H 2.858 0.000 . 439 37 40 CYS C C 174.123 0.000 . 440 37 40 CYS CA C 58.205 0.000 . 441 37 40 CYS CB C 27.965 0.000 . 442 37 40 CYS N N 118.222 0.000 . 443 38 41 GLN H H 8.822 0.000 . 444 38 41 GLN HA H 4.305 0.000 . 445 38 41 GLN HB2 H 1.772 0.000 . 446 38 41 GLN HB3 H 1.982 0.000 . 447 38 41 GLN HG2 H 2.376 0.000 . 448 38 41 GLN HG3 H 2.417 0.000 . 449 38 41 GLN HE21 H 7.482 0.000 . 450 38 41 GLN HE22 H 6.790 0.000 . 451 38 41 GLN C C 176.276 0.000 . 452 38 41 GLN CA C 57.749 0.000 . 453 38 41 GLN CB C 28.685 0.000 . 454 38 41 GLN CG C 33.787 0.000 . 455 38 41 GLN CD C 180.134 0.000 . 456 38 41 GLN N N 123.427 0.000 . 457 38 41 GLN NE2 N 111.434 0.000 . 458 39 42 GLY H H 8.804 0.000 . 459 39 42 GLY HA2 H 4.234 0.000 . 460 39 42 GLY HA3 H 3.789 0.000 . 461 39 42 GLY C C 174.870 0.000 . 462 39 42 GLY CA C 45.151 0.000 . 463 39 42 GLY N N 109.239 0.000 . 464 40 43 GLN H H 8.393 0.000 . 465 40 43 GLN HA H 3.808 0.000 . 466 40 43 GLN HB2 H 2.183 0.000 . 467 40 43 GLN HB3 H 2.249 0.000 . 468 40 43 GLN HG2 H 2.378 0.000 . 469 40 43 GLN HG3 H 2.378 0.000 . 470 40 43 GLN HE21 H 7.208 0.000 . 471 40 43 GLN HE22 H 6.937 0.000 . 472 40 43 GLN C C 176.371 0.000 . 473 40 43 GLN CA C 59.556 0.000 . 474 40 43 GLN CB C 28.727 0.000 . 475 40 43 GLN CG C 34.724 0.000 . 476 40 43 GLN CD C 179.075 0.000 . 477 40 43 GLN N N 119.686 0.000 . 478 40 43 GLN NE2 N 111.213 0.000 . 479 41 44 ASP H H 8.378 0.000 . 480 41 44 ASP HA H 4.423 0.000 . 481 41 44 ASP HB2 H 2.766 0.000 . 482 41 44 ASP HB3 H 2.654 0.000 . 483 41 44 ASP C C 178.998 0.000 . 484 41 44 ASP CA C 56.380 0.000 . 485 41 44 ASP CB C 39.338 0.000 . 486 41 44 ASP N N 118.745 0.000 . 487 42 45 LEU H H 8.112 0.000 . 488 42 45 LEU HA H 3.943 0.000 . 489 42 45 LEU HB2 H 1.527 0.000 . 490 42 45 LEU HB3 H 1.740 0.000 . 491 42 45 LEU HG H 1.558 0.000 . 492 42 45 LEU HD1 H 0.793 0.000 . 493 42 45 LEU HD2 H 0.794 0.000 . 494 42 45 LEU C C 177.927 0.000 . 495 42 45 LEU CA C 57.422 0.000 . 496 42 45 LEU CB C 41.248 0.000 . 497 42 45 LEU CG C 26.804 0.000 . 498 42 45 LEU CD1 C 25.315 0.000 . 499 42 45 LEU CD2 C 22.724 0.000 . 500 42 45 LEU N N 124.709 0.000 . 501 43 46 LEU H H 8.000 0.000 . 502 43 46 LEU HA H 4.106 0.000 . 503 43 46 LEU HB2 H 1.359 0.000 . 504 43 46 LEU HB3 H 1.845 0.000 . 505 43 46 LEU HG H 1.486 0.000 . 506 43 46 LEU HD1 H 0.793 0.000 . 507 43 46 LEU HD2 H 0.852 0.000 . 508 43 46 LEU C C 178.079 0.000 . 509 43 46 LEU CA C 57.399 0.000 . 510 43 46 LEU CB C 40.594 0.000 . 511 43 46 LEU CG C 26.698 0.000 . 512 43 46 LEU CD1 C 27.084 0.000 . 513 43 46 LEU CD2 C 23.611 0.000 . 514 43 46 LEU N N 118.567 0.000 . 515 44 47 HIS H H 8.680 0.000 . 516 44 47 HIS HA H 3.696 0.000 . 517 44 47 HIS HB2 H 3.113 0.000 . 518 44 47 HIS HB3 H 3.234 0.000 . 519 44 47 HIS HD2 H 6.901 0.000 . 520 44 47 HIS HE1 H 7.715 0.000 . 521 44 47 HIS C C 175.892 0.000 . 522 44 47 HIS CA C 61.411 0.000 . 523 44 47 HIS CB C 29.643 0.000 . 524 44 47 HIS CD2 C 119.364 0.000 . 525 44 47 HIS CE1 C 137.729 0.000 . 526 44 47 HIS N N 118.301 0.000 . 527 45 48 ALA H H 7.446 0.000 . 528 45 48 ALA HA H 3.833 0.000 . 529 45 48 ALA HB H 1.448 0.000 . 530 45 48 ALA C C 179.114 0.000 . 531 45 48 ALA CA C 55.773 0.000 . 532 45 48 ALA CB C 17.386 0.000 . 533 45 48 ALA N N 119.693 0.000 . 534 46 49 MET H H 7.864 0.000 . 535 46 49 MET HA H 3.775 0.000 . 536 46 49 MET HB2 H 1.721 0.000 . 537 46 49 MET HB3 H 2.105 0.000 . 538 46 49 MET HG2 H 2.018 0.000 . 539 46 49 MET HG3 H 2.598 0.000 . 540 46 49 MET HE H 1.113 0.000 . 541 46 49 MET C C 177.728 0.000 . 542 46 49 MET CA C 60.106 0.000 . 543 46 49 MET CB C 33.824 0.000 . 544 46 49 MET CG C 31.184 0.000 . 545 46 49 MET CE C 14.421 0.000 . 546 46 49 MET N N 116.005 0.000 . 547 47 50 VAL H H 8.403 0.000 . 548 47 50 VAL HA H 3.244 0.000 . 549 47 50 VAL HB H 2.283 0.000 . 550 47 50 VAL HG1 H 0.781 0.000 . 551 47 50 VAL HG2 H 0.867 0.000 . 552 47 50 VAL C C 177.376 0.000 . 553 47 50 VAL CA C 67.275 0.000 . 554 47 50 VAL CB C 31.207 0.000 . 555 47 50 VAL CG1 C 22.145 0.000 . 556 47 50 VAL CG2 C 24.780 0.000 . 557 47 50 VAL N N 121.171 0.000 . 558 48 51 LEU H H 7.823 0.000 . 559 48 51 LEU HA H 3.748 0.000 . 560 48 51 LEU HB2 H 1.331 0.000 . 561 48 51 LEU HB3 H 1.958 0.000 . 562 48 51 LEU HG H 1.409 0.000 . 563 48 51 LEU HD1 H 0.564 0.000 . 564 48 51 LEU HD2 H 0.649 0.000 . 565 48 51 LEU C C 179.538 0.000 . 566 48 51 LEU CA C 58.339 0.000 . 567 48 51 LEU CB C 41.153 0.000 . 568 48 51 LEU CG C 25.751 0.000 . 569 48 51 LEU CD1 C 25.878 0.000 . 570 48 51 LEU CD2 C 22.345 0.000 . 571 48 51 LEU N N 117.798 0.000 . 572 49 52 LEU H H 7.844 0.000 . 573 49 52 LEU HA H 3.819 0.000 . 574 49 52 LEU HB2 H 1.402 0.000 . 575 49 52 LEU HB3 H 2.170 0.000 . 576 49 52 LEU HG H 1.768 0.000 . 577 49 52 LEU HD1 H 0.755 0.000 . 578 49 52 LEU HD2 H 0.762 0.000 . 579 49 52 LEU C C 181.440 0.000 . 580 49 52 LEU CA C 58.306 0.000 . 581 49 52 LEU CB C 41.133 0.000 . 582 49 52 LEU CG C 26.443 0.000 . 583 49 52 LEU CD1 C 23.098 0.000 . 584 49 52 LEU CD2 C 25.428 0.000 . 585 49 52 LEU N N 118.085 0.000 . 586 50 53 LYS H H 8.125 0.000 . 587 50 53 LYS HA H 4.165 0.000 . 588 50 53 LYS HB2 H 1.743 0.000 . 589 50 53 LYS HB3 H 1.872 0.000 . 590 50 53 LYS HG2 H 1.231 0.000 . 591 50 53 LYS HG3 H 1.455 0.000 . 592 50 53 LYS HD2 H 1.470 0.000 . 593 50 53 LYS HD3 H 1.540 0.000 . 594 50 53 LYS HE2 H 1.821 0.000 . 595 50 53 LYS HE3 H 2.677 0.000 . 596 50 53 LYS C C 178.310 0.000 . 597 50 53 LYS CA C 56.179 0.000 . 598 50 53 LYS CB C 31.135 0.000 . 599 50 53 LYS CG C 23.992 0.000 . 600 50 53 LYS CD C 27.516 0.000 . 601 50 53 LYS CE C 41.079 0.000 . 602 50 53 LYS N N 120.240 0.000 . 603 51 54 LEU H H 8.025 0.000 . 604 51 54 LEU HA H 4.311 0.000 . 605 51 54 LEU HB2 H 1.636 0.000 . 606 51 54 LEU HB3 H 1.902 0.000 . 607 51 54 LEU HG H 1.639 0.000 . 608 51 54 LEU HD1 H 0.661 0.000 . 609 51 54 LEU HD2 H 0.916 0.000 . 610 51 54 LEU C C 177.207 0.000 . 611 51 54 LEU CA C 55.371 0.000 . 612 51 54 LEU CB C 43.630 0.000 . 613 51 54 LEU CG C 26.766 0.000 . 614 51 54 LEU CD1 C 26.799 0.000 . 615 51 54 LEU CD2 C 23.689 0.000 . 616 51 54 LEU N N 120.032 0.000 . 617 52 55 GLY H H 7.900 0.000 . 618 52 55 GLY HA2 H 4.238 0.000 . 619 52 55 GLY HA3 H 3.890 0.000 . 620 52 55 GLY C C 175.160 0.000 . 621 52 55 GLY CA C 45.674 0.000 . 622 52 55 GLY N N 108.071 0.000 . 623 53 56 GLN H H 8.073 0.000 . 624 53 56 GLN HA H 4.612 0.000 . 625 53 56 GLN HB2 H 1.861 0.000 . 626 53 56 GLN HB3 H 2.217 0.000 . 627 53 56 GLN HG2 H 2.110 0.000 . 628 53 56 GLN HG3 H 2.234 0.000 . 629 53 56 GLN HE21 H 7.341 0.000 . 630 53 56 GLN HE22 H 6.447 0.000 . 631 53 56 GLN C C 175.887 0.000 . 632 53 56 GLN CA C 54.062 0.000 . 633 53 56 GLN CB C 26.062 0.000 . 634 53 56 GLN CG C 33.706 0.000 . 635 53 56 GLN CD C 179.384 0.000 . 636 53 56 GLN N N 122.790 0.000 . 637 53 56 GLN NE2 N 108.820 0.000 . 638 54 57 GLU H H 7.753 0.000 . 639 54 57 GLU HA H 3.725 0.000 . 640 54 57 GLU HB2 H 2.080 0.000 . 641 54 57 GLU HB3 H 2.080 0.000 . 642 54 57 GLU HG2 H 2.180 0.000 . 643 54 57 GLU HG3 H 2.224 0.000 . 644 54 57 GLU C C 178.242 0.000 . 645 54 57 GLU CA C 60.753 0.000 . 646 54 57 GLU CB C 30.072 0.000 . 647 54 57 GLU CG C 36.966 0.000 . 648 54 57 GLU N N 120.601 0.000 . 649 55 58 THR H H 8.517 0.000 . 650 55 58 THR HA H 3.871 0.000 . 651 55 58 THR HB H 4.152 0.000 . 652 55 58 THR HG2 H 1.228 0.000 . 653 55 58 THR C C 176.644 0.000 . 654 55 58 THR CA C 67.028 0.000 . 655 55 58 THR CB C 68.161 0.000 . 656 55 58 THR CG2 C 21.921 0.000 . 657 55 58 THR N N 116.391 0.000 . 658 56 59 GLU H H 8.589 0.000 . 659 56 59 GLU HA H 3.943 0.000 . 660 56 59 GLU HB2 H 1.968 0.000 . 661 56 59 GLU HB3 H 2.043 0.000 . 662 56 59 GLU HG2 H 2.276 0.000 . 663 56 59 GLU HG3 H 2.323 0.000 . 664 56 59 GLU C C 179.578 0.000 . 665 56 59 GLU CA C 60.068 0.000 . 666 56 59 GLU CB C 29.322 0.000 . 667 56 59 GLU CG C 37.094 0.000 . 668 56 59 GLU N N 121.830 0.000 . 669 57 60 ALA H H 8.625 0.000 . 670 57 60 ALA HA H 3.902 0.000 . 671 57 60 ALA HB H 1.406 0.000 . 672 57 60 ALA C C 179.389 0.000 . 673 57 60 ALA CA C 55.469 0.000 . 674 57 60 ALA CB C 18.854 0.000 . 675 57 60 ALA N N 122.430 0.000 . 676 58 61 ARG H H 8.465 0.000 . 677 58 61 ARG HA H 3.838 0.000 . 678 58 61 ARG HB2 H 1.947 0.000 . 679 58 61 ARG HB3 H 2.054 0.000 . 680 58 61 ARG HG2 H 1.483 0.000 . 681 58 61 ARG HG3 H 1.939 0.000 . 682 58 61 ARG HD2 H 3.131 0.000 . 683 58 61 ARG HD3 H 3.233 0.000 . 684 58 61 ARG HE H 7.266 0.000 . 685 58 61 ARG HH11 H 6.907 0.000 . 686 58 61 ARG HH12 H 6.471 0.000 . 687 58 61 ARG HH22 H 6.907 0.000 . 688 58 61 ARG C C 179.304 0.000 . 689 58 61 ARG CA C 60.822 0.000 . 690 58 61 ARG CB C 30.058 0.000 . 691 58 61 ARG CG C 29.385 0.000 . 692 58 61 ARG CD C 43.706 0.000 . 693 58 61 ARG CZ C 159.478 0.000 . 694 58 61 ARG N N 117.333 0.000 . 695 58 61 ARG NE N 83.689 0.000 . 696 59 62 ILE H H 7.746 0.000 . 697 59 62 ILE HA H 3.761 0.000 . 698 59 62 ILE HB H 1.934 0.000 . 699 59 62 ILE HG12 H 1.147 0.000 . 700 59 62 ILE HG13 H 1.763 0.000 . 701 59 62 ILE HG2 H 0.933 0.000 . 702 59 62 ILE HD1 H 0.828 0.000 . 703 59 62 ILE C C 179.389 0.000 . 704 59 62 ILE CA C 65.223 0.000 . 705 59 62 ILE CB C 38.301 0.000 . 706 59 62 ILE CG1 C 29.039 0.000 . 707 59 62 ILE CG2 C 17.110 0.000 . 708 59 62 ILE CD1 C 13.267 0.000 . 709 59 62 ILE N N 121.120 0.000 . 710 60 63 SER H H 8.008 0.000 . 711 60 63 SER HA H 4.252 0.000 . 712 60 63 SER HB2 H 4.000 0.000 . 713 60 63 SER HB3 H 4.060 0.000 . 714 60 63 SER C C 177.179 0.000 . 715 60 63 SER CA C 62.616 0.000 . 716 60 63 SER CB C 62.765 0.000 . 717 60 63 SER N N 117.548 0.000 . 718 61 64 LEU H H 8.687 0.000 . 719 61 64 LEU HA H 3.933 0.000 . 720 61 64 LEU HB2 H 1.331 0.000 . 721 61 64 LEU HB3 H 1.870 0.000 . 722 61 64 LEU HG H 1.720 0.000 . 723 61 64 LEU HD1 H 0.669 0.000 . 724 61 64 LEU HD2 H 0.816 0.000 . 725 61 64 LEU C C 180.019 0.000 . 726 61 64 LEU CA C 57.927 0.000 . 727 61 64 LEU CB C 41.239 0.000 . 728 61 64 LEU CG C 27.310 0.000 . 729 61 64 LEU CD1 C 25.393 0.000 . 730 61 64 LEU CD2 C 22.476 0.000 . 731 61 64 LEU N N 120.438 0.000 . 732 62 65 GLU H H 8.303 0.000 . 733 62 65 GLU HA H 4.077 0.000 . 734 62 65 GLU HB2 H 2.093 0.000 . 735 62 65 GLU HB3 H 2.200 0.000 . 736 62 65 GLU HG2 H 2.325 0.000 . 737 62 65 GLU HG3 H 2.325 0.000 . 738 62 65 GLU C C 179.190 0.000 . 739 62 65 GLU CA C 59.308 0.000 . 740 62 65 GLU CB C 28.857 0.000 . 741 62 65 GLU CG C 35.981 0.000 . 742 62 65 GLU N N 123.559 0.000 . 743 63 66 ALA H H 7.264 0.000 . 744 63 66 ALA HA H 4.258 0.000 . 745 63 66 ALA HB H 1.552 0.000 . 746 63 66 ALA C C 178.930 0.000 . 747 63 66 ALA CA C 54.035 0.000 . 748 63 66 ALA CB C 17.903 0.000 . 749 63 66 ALA N N 120.247 0.000 . 750 64 67 LEU H H 7.214 0.000 . 751 64 67 LEU HA H 4.501 0.000 . 752 64 67 LEU HB2 H 1.577 0.000 . 753 64 67 LEU HB3 H 1.847 0.000 . 754 64 67 LEU HG H 1.860 0.000 . 755 64 67 LEU HD1 H 0.686 0.000 . 756 64 67 LEU HD2 H 0.817 0.000 . 757 64 67 LEU C C 177.475 0.000 . 758 64 67 LEU CA C 53.929 0.000 . 759 64 67 LEU CB C 42.710 0.000 . 760 64 67 LEU CG C 26.004 0.000 . 761 64 67 LEU CD1 C 24.932 0.000 . 762 64 67 LEU CD2 C 22.123 0.000 . 763 64 67 LEU N N 117.882 0.000 . 764 65 68 LYS H H 6.972 0.000 . 765 65 68 LYS HA H 4.016 0.000 . 766 65 68 LYS HB2 H 1.842 0.000 . 767 65 68 LYS HB3 H 1.973 0.000 . 768 65 68 LYS HG2 H 1.256 0.000 . 769 65 68 LYS HG3 H 1.578 0.000 . 770 65 68 LYS HD2 H 1.675 0.000 . 771 65 68 LYS HD3 H 1.725 0.000 . 772 65 68 LYS HE2 H 2.960 0.000 . 773 65 68 LYS HE3 H 2.960 0.000 . 774 65 68 LYS C C 175.742 0.000 . 775 65 68 LYS CA C 59.157 0.000 . 776 65 68 LYS CB C 32.395 0.000 . 777 65 68 LYS CG C 23.885 0.000 . 778 65 68 LYS CD C 29.585 0.000 . 779 65 68 LYS CE C 42.024 0.000 . 780 65 68 LYS N N 117.238 0.000 . 781 66 69 ALA H H 8.442 0.000 . 782 66 69 ALA HA H 4.198 0.000 . 783 66 69 ALA HB H 1.364 0.000 . 784 66 69 ALA C C 177.322 0.000 . 785 66 69 ALA CA C 53.609 0.000 . 786 66 69 ALA CB C 18.409 0.000 . 787 66 69 ALA N N 123.105 0.000 . 788 67 70 ASP H H 8.447 0.000 . 789 67 70 ASP HA H 4.700 0.000 . 790 67 70 ASP HB2 H 2.539 0.000 . 791 67 70 ASP HB3 H 3.158 0.000 . 792 67 70 ASP C C 176.206 0.000 . 793 67 70 ASP CA C 53.116 0.000 . 794 67 70 ASP CB C 42.974 0.000 . 795 67 70 ASP N N 119.782 0.000 . 796 68 71 ALA H H 9.029 0.000 . 797 68 71 ALA HA H 3.867 0.000 . 798 68 71 ALA HB H 1.547 0.000 . 799 68 71 ALA C C 180.524 0.000 . 800 68 71 ALA CA C 55.476 0.000 . 801 68 71 ALA CB C 19.226 0.000 . 802 68 71 ALA N N 128.893 0.000 . 803 69 72 VAL H H 8.557 0.000 . 804 69 72 VAL HA H 3.583 0.000 . 805 69 72 VAL HB H 2.367 0.000 . 806 69 72 VAL HG1 H 0.850 0.000 . 807 69 72 VAL HG2 H 0.943 0.000 . 808 69 72 VAL C C 177.398 0.000 . 809 69 72 VAL CA C 66.563 0.000 . 810 69 72 VAL CB C 30.320 0.000 . 811 69 72 VAL CG1 C 22.056 0.000 . 812 69 72 VAL CG2 C 23.527 0.000 . 813 69 72 VAL N N 119.037 0.000 . 814 70 73 ALA H H 7.712 0.000 . 815 70 73 ALA HA H 3.816 0.000 . 816 70 73 ALA HB H 1.533 0.000 . 817 70 73 ALA C C 180.426 0.000 . 818 70 73 ALA CA C 55.556 0.000 . 819 70 73 ALA CB C 19.095 0.000 . 820 70 73 ALA N N 123.436 0.000 . 821 71 74 ARG H H 8.006 0.000 . 822 71 74 ARG HA H 3.967 0.000 . 823 71 74 ARG HB2 H 1.732 0.000 . 824 71 74 ARG HB3 H 1.995 0.000 . 825 71 74 ARG HG2 H 1.383 0.000 . 826 71 74 ARG HG3 H 2.036 0.000 . 827 71 74 ARG HD2 H 3.144 0.000 . 828 71 74 ARG HD3 H 3.625 0.000 . 829 71 74 ARG HE H 8.149 0.000 . 830 71 74 ARG HH11 H 6.825 0.000 . 831 71 74 ARG HH12 H 6.929 0.000 . 832 71 74 ARG HH22 H 6.825 0.000 . 833 71 74 ARG C C 178.852 0.000 . 834 71 74 ARG CA C 60.411 0.000 . 835 71 74 ARG CB C 30.737 0.000 . 836 71 74 ARG CG C 28.443 0.000 . 837 71 74 ARG CD C 44.053 0.000 . 838 71 74 ARG CZ C 159.802 0.000 . 839 71 74 ARG N N 116.298 0.000 . 840 71 74 ARG NE N 82.735 0.000 . 841 72 75 LEU H H 7.542 0.000 . 842 72 75 LEU HA H 4.123 0.000 . 843 72 75 LEU HB2 H 1.628 0.000 . 844 72 75 LEU HB3 H 2.206 0.000 . 845 72 75 LEU HG H 1.538 0.000 . 846 72 75 LEU HD1 H 0.909 0.000 . 847 72 75 LEU HD2 H 0.954 0.000 . 848 72 75 LEU C C 178.295 0.000 . 849 72 75 LEU CA C 58.526 0.000 . 850 72 75 LEU CB C 41.697 0.000 . 851 72 75 LEU CG C 27.377 0.000 . 852 72 75 LEU CD1 C 26.210 0.000 . 853 72 75 LEU CD2 C 24.332 0.000 . 854 72 75 LEU N N 122.591 0.000 . 855 73 76 VAL H H 8.282 0.000 . 856 73 76 VAL HA H 3.763 0.000 . 857 73 76 VAL HB H 2.213 0.000 . 858 73 76 VAL HG1 H 0.946 0.000 . 859 73 76 VAL HG2 H 1.136 0.000 . 860 73 76 VAL C C 177.988 0.000 . 861 73 76 VAL CA C 66.594 0.000 . 862 73 76 VAL CB C 31.293 0.000 . 863 73 76 VAL CG1 C 21.734 0.000 . 864 73 76 VAL CG2 C 24.086 0.000 . 865 73 76 VAL N N 119.763 0.000 . 866 74 77 ALA H H 8.389 0.000 . 867 74 77 ALA HA H 4.019 0.000 . 868 74 77 ALA HB H 1.487 0.000 . 869 74 77 ALA C C 179.379 0.000 . 870 74 77 ALA CA C 54.682 0.000 . 871 74 77 ALA CB C 18.052 0.000 . 872 74 77 ALA N N 121.123 0.000 . 873 75 78 ARG H H 8.060 0.000 . 874 75 78 ARG HA H 4.388 0.000 . 875 75 78 ARG HB2 H 1.870 0.000 . 876 75 78 ARG HB3 H 1.960 0.000 . 877 75 78 ARG HG2 H 1.626 0.000 . 878 75 78 ARG HG3 H 1.722 0.000 . 879 75 78 ARG HD2 H 3.213 0.000 . 880 75 78 ARG HD3 H 3.213 0.000 . 881 75 78 ARG HE H 7.384 0.000 . 882 75 78 ARG HH11 H 6.959 0.000 . 883 75 78 ARG HH12 H 6.703 0.000 . 884 75 78 ARG HH22 H 6.959 0.000 . 885 75 78 ARG C C 178.501 0.000 . 886 75 78 ARG CA C 58.518 0.000 . 887 75 78 ARG CB C 30.896 0.000 . 888 75 78 ARG CG C 27.391 0.000 . 889 75 78 ARG CD C 43.767 0.000 . 890 75 78 ARG CZ C 159.581 0.000 . 891 75 78 ARG N N 117.746 0.000 . 892 75 78 ARG NE N 84.575 0.000 . 893 76 79 GLN H H 8.446 0.000 . 894 76 79 GLN HA H 3.936 0.000 . 895 76 79 GLN HB2 H 1.135 0.000 . 896 76 79 GLN HB3 H 1.533 0.000 . 897 76 79 GLN HG2 H 1.534 0.000 . 898 76 79 GLN HG3 H 1.764 0.000 . 899 76 79 GLN HE21 H 6.473 0.000 . 900 76 79 GLN HE22 H 6.284 0.000 . 901 76 79 GLN C C 177.929 0.000 . 902 76 79 GLN CA C 58.122 0.000 . 903 76 79 GLN CB C 28.429 0.000 . 904 76 79 GLN CG C 33.581 0.000 . 905 76 79 GLN CD C 179.015 0.000 . 906 76 79 GLN N N 116.893 0.000 . 907 76 79 GLN NE2 N 108.933 0.000 . 908 77 80 TRP H H 8.239 0.000 . 909 77 80 TRP HA H 4.859 0.000 . 910 77 80 TRP HB2 H 2.934 0.000 . 911 77 80 TRP HB3 H 3.146 0.000 . 912 77 80 TRP HD1 H 7.038 0.000 . 913 77 80 TRP HE1 H 10.052 0.000 . 914 77 80 TRP HE3 H 7.394 0.000 . 915 77 80 TRP HZ2 H 7.198 0.000 . 916 77 80 TRP HZ3 H 6.653 0.000 . 917 77 80 TRP HH2 H 6.843 0.000 . 918 77 80 TRP C C 175.976 0.000 . 919 77 80 TRP CA C 59.383 0.000 . 920 77 80 TRP CB C 30.977 0.000 . 921 77 80 TRP CD1 C 126.645 0.000 . 922 77 80 TRP CE3 C 121.003 0.000 . 923 77 80 TRP CZ2 C 113.809 0.000 . 924 77 80 TRP CZ3 C 119.974 0.000 . 925 77 80 TRP CH2 C 123.116 0.000 . 926 77 80 TRP N N 115.089 0.000 . 927 77 80 TRP NE1 N 129.684 0.000 . 928 78 81 ALA H H 7.568 0.000 . 929 78 81 ALA HA H 4.813 0.000 . 930 78 81 ALA HB H 1.510 0.000 . 931 78 81 ALA C C 177.056 0.000 . 932 78 81 ALA CA C 51.042 0.000 . 933 78 81 ALA CB C 20.809 0.000 . 934 78 81 ALA N N 119.710 0.000 . 935 79 82 GLY H H 7.916 0.000 . 936 79 82 GLY HA2 H 3.866 0.000 . 937 79 82 GLY HA3 H 3.799 0.000 . 938 79 82 GLY C C 174.552 0.000 . 939 79 82 GLY CA C 46.759 0.000 . 940 79 82 GLY N N 107.532 0.000 . 941 80 83 VAL H H 7.596 0.000 . 942 80 83 VAL HA H 3.936 0.000 . 943 80 83 VAL HB H 1.704 0.000 . 944 80 83 VAL HG1 H 0.851 0.000 . 945 80 83 VAL HG2 H 0.866 0.000 . 946 80 83 VAL C C 175.293 0.000 . 947 80 83 VAL CA C 62.394 0.000 . 948 80 83 VAL CB C 32.028 0.000 . 949 80 83 VAL CG1 C 21.061 0.000 . 950 80 83 VAL CG2 C 20.986 0.000 . 951 80 83 VAL N N 120.012 0.000 . 952 81 84 ASP H H 8.430 0.000 . 953 81 84 ASP HA H 4.601 0.000 . 954 81 84 ASP HB2 H 2.570 0.000 . 955 81 84 ASP HB3 H 2.647 0.000 . 956 81 84 ASP C C 175.900 0.000 . 957 81 84 ASP CA C 54.275 0.000 . 958 81 84 ASP CB C 41.197 0.000 . 959 81 84 ASP N N 126.465 0.000 . 960 82 85 SER H H 8.120 0.000 . 961 82 85 SER HA H 4.527 0.000 . 962 82 85 SER HB2 H 3.747 0.000 . 963 82 85 SER HB3 H 3.891 0.000 . 964 82 85 SER C C 174.749 0.000 . 965 82 85 SER CA C 57.813 0.000 . 966 82 85 SER CB C 64.274 0.000 . 967 82 85 SER N N 115.688 0.000 . 968 83 86 THR H H 8.296 0.000 . 969 83 86 THR HA H 4.313 0.000 . 970 83 86 THR HB H 4.279 0.000 . 971 83 86 THR HG2 H 1.179 0.000 . 972 83 86 THR C C 174.525 0.000 . 973 83 86 THR CA C 62.125 0.000 . 974 83 86 THR CB C 69.400 0.000 . 975 83 86 THR CG2 C 21.654 0.000 . 976 83 86 THR N N 115.318 0.000 . 977 84 87 GLU H H 8.292 0.000 . 978 84 87 GLU HA H 4.223 0.000 . 979 84 87 GLU HB2 H 1.852 0.000 . 980 84 87 GLU HB3 H 2.009 0.000 . 981 84 87 GLU HG2 H 2.183 0.000 . 982 84 87 GLU HG3 H 2.214 0.000 . 983 84 87 GLU C C 175.704 0.000 . 984 84 87 GLU CA C 56.278 0.000 . 985 84 87 GLU CB C 30.509 0.000 . 986 84 87 GLU CG C 36.167 0.000 . 987 84 87 GLU N N 122.674 0.000 . 988 85 88 ASP H H 8.369 0.000 . 989 85 88 ASP HA H 4.831 0.000 . 990 85 88 ASP HB2 H 2.484 0.000 . 991 85 88 ASP HB3 H 2.729 0.000 . 992 85 88 ASP CA C 52.701 0.000 . 993 85 88 ASP CB C 40.972 0.000 . 994 85 88 ASP N N 123.022 0.000 . 995 86 89 PRO HA H 4.387 0.000 . 996 86 89 PRO HB2 H 2.190 0.000 . 997 86 89 PRO HB3 H 1.972 0.000 . 998 86 89 PRO HG2 H 1.986 0.000 . 999 86 89 PRO HG3 H 1.986 0.000 . 1000 86 89 PRO HD2 H 3.762 0.000 . 1001 86 89 PRO HD3 H 3.762 0.000 . 1002 86 89 PRO C C 176.488 0.000 . 1003 86 89 PRO CA C 63.408 0.000 . 1004 86 89 PRO CB C 32.010 0.000 . 1005 86 89 PRO CG C 27.137 0.000 . 1006 86 89 PRO CD C 50.595 0.000 . 1007 87 90 GLU H H 8.147 0.000 . 1008 87 90 GLU HA H 4.316 0.000 . 1009 87 90 GLU HB2 H 1.907 0.000 . 1010 87 90 GLU HB3 H 1.997 0.000 . 1011 87 90 GLU HG2 H 2.208 0.000 . 1012 87 90 GLU HG3 H 2.208 0.000 . 1013 87 90 GLU C C 175.945 0.000 . 1014 87 90 GLU CA C 55.748 0.000 . 1015 87 90 GLU CB C 31.103 0.000 . 1016 87 90 GLU CG C 36.063 0.000 . 1017 87 90 GLU N N 119.923 0.000 . 1018 88 91 GLU H H 8.535 0.000 . 1019 88 91 GLU HA H 4.524 0.000 . 1020 88 91 GLU HB2 H 1.933 0.000 . 1021 88 91 GLU HB3 H 1.976 0.000 . 1022 88 91 GLU HG2 H 2.249 0.000 . 1023 88 91 GLU HG3 H 2.272 0.000 . 1024 88 91 GLU CA C 54.394 0.000 . 1025 88 91 GLU CB C 29.796 0.000 . 1026 88 91 GLU CG C 36.219 0.000 . 1027 88 91 GLU N N 123.715 0.000 . 1028 89 92 PRO HA H 4.673 0.000 . 1029 89 92 PRO HB2 H 2.337 0.000 . 1030 89 92 PRO HB3 H 1.903 0.000 . 1031 89 92 PRO HG2 H 1.958 0.000 . 1032 89 92 PRO HG3 H 1.958 0.000 . 1033 89 92 PRO HD2 H 3.536 0.000 . 1034 89 92 PRO HD3 H 4.010 0.000 . 1035 89 92 PRO CA C 61.531 0.000 . 1036 89 92 PRO CB C 31.575 0.000 . 1037 89 92 PRO CG C 28.049 0.000 . 1038 89 92 PRO CD C 50.553 0.000 . 1039 90 93 PRO HA H 4.475 0.000 . 1040 90 93 PRO HB2 H 2.306 0.000 . 1041 90 93 PRO HB3 H 1.908 0.000 . 1042 90 93 PRO HG2 H 2.032 0.000 . 1043 90 93 PRO HG3 H 2.032 0.000 . 1044 90 93 PRO HD2 H 3.733 0.000 . 1045 90 93 PRO HD3 H 3.938 0.000 . 1046 90 93 PRO C C 178.075 0.000 . 1047 90 93 PRO CA C 64.211 0.000 . 1048 90 93 PRO CB C 31.963 0.000 . 1049 90 93 PRO CG C 27.377 0.000 . 1050 90 93 PRO CD C 50.831 0.000 . 1051 91 94 ASP H H 8.698 0.000 . 1052 91 94 ASP HA H 5.047 0.000 . 1053 91 94 ASP HB2 H 2.783 0.000 . 1054 91 94 ASP HB3 H 3.013 0.000 . 1055 91 94 ASP C C 177.630 0.000 . 1056 91 94 ASP CA C 54.012 0.000 . 1057 91 94 ASP CB C 40.281 0.000 . 1058 91 94 ASP N N 117.462 0.000 . 1059 92 95 VAL H H 7.871 0.000 . 1060 92 95 VAL HA H 4.002 0.000 . 1061 92 95 VAL HB H 2.236 0.000 . 1062 92 95 VAL HG1 H 1.083 0.000 . 1063 92 95 VAL HG2 H 1.087 0.000 . 1064 92 95 VAL C C 175.925 0.000 . 1065 92 95 VAL CA C 65.261 0.000 . 1066 92 95 VAL CB C 32.046 0.000 . 1067 92 95 VAL CG1 C 20.477 0.000 . 1068 92 95 VAL CG2 C 21.539 0.000 . 1069 92 95 VAL N N 121.506 0.000 . 1070 93 96 SER H H 9.011 0.000 . 1071 93 96 SER HA H 3.991 0.000 . 1072 93 96 SER HB2 H 3.621 0.000 . 1073 93 96 SER HB3 H 4.051 0.000 . 1074 93 96 SER C C 177.348 0.000 . 1075 93 96 SER CA C 62.476 0.000 . 1076 93 96 SER CB C 61.943 0.000 . 1077 93 96 SER N N 116.700 0.000 . 1078 94 97 TRP H H 7.721 0.000 . 1079 94 97 TRP HA H 4.407 0.000 . 1080 94 97 TRP HB2 H 3.083 0.000 . 1081 94 97 TRP HB3 H 3.489 0.000 . 1082 94 97 TRP HD1 H 7.449 0.000 . 1083 94 97 TRP HE1 H 10.283 0.000 . 1084 94 97 TRP HE3 H 7.317 0.000 . 1085 94 97 TRP HZ2 H 7.203 0.000 . 1086 94 97 TRP HZ3 H 6.708 0.000 . 1087 94 97 TRP HH2 H 7.059 0.000 . 1088 94 97 TRP C C 177.839 0.000 . 1089 94 97 TRP CA C 58.506 0.000 . 1090 94 97 TRP CB C 29.988 0.000 . 1091 94 97 TRP CD1 C 123.967 0.000 . 1092 94 97 TRP CE3 C 120.006 0.000 . 1093 94 97 TRP CZ2 C 113.805 0.000 . 1094 94 97 TRP CZ3 C 121.552 0.000 . 1095 94 97 TRP CH2 C 124.586 0.000 . 1096 94 97 TRP N N 127.970 0.000 . 1097 94 97 TRP NE1 N 130.400 0.000 . 1098 95 98 ALA H H 8.205 0.000 . 1099 95 98 ALA HA H 3.990 0.000 . 1100 95 98 ALA HB H 1.535 0.000 . 1101 95 98 ALA C C 180.183 0.000 . 1102 95 98 ALA CA C 55.911 0.000 . 1103 95 98 ALA CB C 18.651 0.000 . 1104 95 98 ALA N N 122.881 0.000 . 1105 96 99 VAL H H 8.844 0.000 . 1106 96 99 VAL HA H 3.416 0.000 . 1107 96 99 VAL HB H 2.094 0.000 . 1108 96 99 VAL HG1 H 0.713 0.000 . 1109 96 99 VAL HG2 H 1.025 0.000 . 1110 96 99 VAL C C 177.239 0.000 . 1111 96 99 VAL CA C 67.338 0.000 . 1112 96 99 VAL CB C 31.671 0.000 . 1113 96 99 VAL CG1 C 22.247 0.000 . 1114 96 99 VAL CG2 C 25.149 0.000 . 1115 96 99 VAL N N 117.023 0.000 . 1116 97 100 ALA H H 7.568 0.000 . 1117 97 100 ALA HA H 3.727 0.000 . 1118 97 100 ALA HB H 0.276 0.000 . 1119 97 100 ALA C C 178.285 0.000 . 1120 97 100 ALA CA C 55.999 0.000 . 1121 97 100 ALA CB C 14.195 0.000 . 1122 97 100 ALA N N 122.999 0.000 . 1123 98 101 ARG H H 7.847 0.000 . 1124 98 101 ARG HA H 4.066 0.000 . 1125 98 101 ARG HB2 H 2.027 0.000 . 1126 98 101 ARG HB3 H 2.027 0.000 . 1127 98 101 ARG HG2 H 1.745 0.000 . 1128 98 101 ARG HG3 H 2.100 0.000 . 1129 98 101 ARG HD2 H 2.642 0.000 . 1130 98 101 ARG HD3 H 2.833 0.000 . 1131 98 101 ARG HE H 7.979 0.000 . 1132 98 101 ARG HH11 H 6.422 0.000 . 1133 98 101 ARG HH12 H 6.422 0.000 . 1134 98 101 ARG C C 180.142 0.000 . 1135 98 101 ARG CA C 60.281 0.000 . 1136 98 101 ARG CB C 30.211 0.000 . 1137 98 101 ARG CG C 29.074 0.000 . 1138 98 101 ARG CD C 43.951 0.000 . 1139 98 101 ARG CZ C 158.933 0.000 . 1140 98 101 ARG N N 116.176 0.000 . 1141 98 101 ARG NE N 84.126 0.000 . 1142 98 101 ARG NH1 N 72.517 0.000 . 1143 99 102 LEU H H 8.458 0.000 . 1144 99 102 LEU HA H 4.033 0.000 . 1145 99 102 LEU HB2 H 1.061 0.000 . 1146 99 102 LEU HB3 H 2.133 0.000 . 1147 99 102 LEU HG H 1.984 0.000 . 1148 99 102 LEU HD1 H 0.629 0.000 . 1149 99 102 LEU HD2 H 0.744 0.000 . 1150 99 102 LEU C C 178.949 0.000 . 1151 99 102 LEU CA C 58.336 0.000 . 1152 99 102 LEU CB C 41.822 0.000 . 1153 99 102 LEU CG C 26.264 0.000 . 1154 99 102 LEU CD1 C 25.869 0.000 . 1155 99 102 LEU CD2 C 23.696 0.000 . 1156 99 102 LEU N N 119.745 0.000 . 1157 100 103 TYR H H 8.941 0.000 . 1158 100 103 TYR HA H 3.868 0.000 . 1159 100 103 TYR HB2 H 3.038 0.000 . 1160 100 103 TYR HB3 H 2.479 0.000 . 1161 100 103 TYR HD1 H 7.278 0.000 . 1162 100 103 TYR HD2 H 7.278 0.000 . 1163 100 103 TYR HE1 H 6.665 0.000 . 1164 100 103 TYR HE2 H 6.665 0.000 . 1165 100 103 TYR C C 178.607 0.000 . 1166 100 103 TYR CA C 63.505 0.000 . 1167 100 103 TYR CB C 38.070 0.000 . 1168 100 103 TYR CD1 C 132.766 0.000 . 1169 100 103 TYR CE1 C 117.676 0.000 . 1170 100 103 TYR N N 117.730 0.000 . 1171 101 104 HIS H H 8.610 0.000 . 1172 101 104 HIS HA H 4.523 0.000 . 1173 101 104 HIS HB2 H 3.276 0.000 . 1174 101 104 HIS HB3 H 3.601 0.000 . 1175 101 104 HIS HD2 H 7.166 0.000 . 1176 101 104 HIS HE1 H 7.832 0.000 . 1177 101 104 HIS C C 176.559 0.000 . 1178 101 104 HIS CA C 61.166 0.000 . 1179 101 104 HIS CB C 31.451 0.000 . 1180 101 104 HIS CD2 C 118.464 0.000 . 1181 101 104 HIS CE1 C 139.481 0.000 . 1182 101 104 HIS N N 119.797 0.000 . 1183 102 105 LEU H H 7.335 0.000 . 1184 102 105 LEU HA H 3.805 0.000 . 1185 102 105 LEU HB2 H 1.190 0.000 . 1186 102 105 LEU HB3 H 2.060 0.000 . 1187 102 105 LEU HG H 2.074 0.000 . 1188 102 105 LEU HD1 H 0.781 0.000 . 1189 102 105 LEU HD2 H 0.845 0.000 . 1190 102 105 LEU C C 179.429 0.000 . 1191 102 105 LEU CA C 57.882 0.000 . 1192 102 105 LEU CB C 42.020 0.000 . 1193 102 105 LEU CG C 27.028 0.000 . 1194 102 105 LEU CD1 C 26.050 0.000 . 1195 102 105 LEU CD2 C 22.873 0.000 . 1196 102 105 LEU N N 118.531 0.000 . 1197 103 106 LEU H H 8.465 0.000 . 1198 103 106 LEU HA H 3.739 0.000 . 1199 103 106 LEU HB2 H 1.001 0.000 . 1200 103 106 LEU HB3 H 1.814 0.000 . 1201 103 106 LEU HG H 1.685 0.000 . 1202 103 106 LEU HD1 H 0.106 0.000 . 1203 103 106 LEU HD2 H 0.539 0.000 . 1204 103 106 LEU C C 178.774 0.000 . 1205 103 106 LEU CA C 58.110 0.000 . 1206 103 106 LEU CB C 42.030 0.000 . 1207 103 106 LEU CG C 25.914 0.000 . 1208 103 106 LEU CD1 C 24.301 0.000 . 1209 103 106 LEU CD2 C 23.483 0.000 . 1210 103 106 LEU N N 117.525 0.000 . 1211 104 107 ALA H H 8.590 0.000 . 1212 104 107 ALA HA H 4.440 0.000 . 1213 104 107 ALA HB H 1.425 0.000 . 1214 104 107 ALA C C 182.971 0.000 . 1215 104 107 ALA CA C 54.971 0.000 . 1216 104 107 ALA CB C 17.514 0.000 . 1217 104 107 ALA N N 122.967 0.000 . 1218 105 108 GLU H H 8.438 0.000 . 1219 105 108 GLU HA H 4.002 0.000 . 1220 105 108 GLU HB2 H 1.990 0.000 . 1221 105 108 GLU HB3 H 2.040 0.000 . 1222 105 108 GLU HG2 H 1.976 0.000 . 1223 105 108 GLU HG3 H 1.976 0.000 . 1224 105 108 GLU C C 178.604 0.000 . 1225 105 108 GLU CA C 59.395 0.000 . 1226 105 108 GLU CB C 29.794 0.000 . 1227 105 108 GLU CG C 36.742 0.000 . 1228 105 108 GLU N N 122.966 0.000 . 1229 106 109 GLU H H 7.407 0.000 . 1230 106 109 GLU HA H 4.405 0.000 . 1231 106 109 GLU HB2 H 1.643 0.000 . 1232 106 109 GLU HB3 H 2.387 0.000 . 1233 106 109 GLU HG2 H 2.071 0.000 . 1234 106 109 GLU HG3 H 2.498 0.000 . 1235 106 109 GLU C C 174.792 0.000 . 1236 106 109 GLU CA C 55.097 0.000 . 1237 106 109 GLU CB C 28.976 0.000 . 1238 106 109 GLU CG C 34.814 0.000 . 1239 106 109 GLU N N 115.233 0.000 . 1240 107 110 LYS H H 8.007 0.000 . 1241 107 110 LYS HA H 4.061 0.000 . 1242 107 110 LYS HB2 H 1.998 0.000 . 1243 107 110 LYS HB3 H 2.105 0.000 . 1244 107 110 LYS HG2 H 1.339 0.000 . 1245 107 110 LYS HG3 H 1.398 0.000 . 1246 107 110 LYS HD2 H 1.650 0.000 . 1247 107 110 LYS HD3 H 1.744 0.000 . 1248 107 110 LYS HE2 H 3.028 0.000 . 1249 107 110 LYS HE3 H 3.028 0.000 . 1250 107 110 LYS C C 176.354 0.000 . 1251 107 110 LYS CA C 57.158 0.000 . 1252 107 110 LYS CB C 28.274 0.000 . 1253 107 110 LYS CG C 25.101 0.000 . 1254 107 110 LYS CD C 28.879 0.000 . 1255 107 110 LYS CE C 42.403 0.000 . 1256 107 110 LYS N N 113.470 0.000 . 1257 108 111 LEU H H 8.486 0.000 . 1258 108 111 LEU HA H 4.365 0.000 . 1259 108 111 LEU HB2 H 1.430 0.000 . 1260 108 111 LEU HB3 H 1.510 0.000 . 1261 108 111 LEU HG H 1.657 0.000 . 1262 108 111 LEU HD1 H 0.761 0.000 . 1263 108 111 LEU HD2 H 0.838 0.000 . 1264 108 111 LEU C C 175.618 0.000 . 1265 108 111 LEU CA C 55.105 0.000 . 1266 108 111 LEU CB C 42.410 0.000 . 1267 108 111 LEU CG C 27.552 0.000 . 1268 108 111 LEU CD1 C 26.227 0.000 . 1269 108 111 LEU CD2 C 23.744 0.000 . 1270 108 111 LEU N N 116.464 0.000 . 1271 109 112 CYS H H 7.456 0.000 . 1272 109 112 CYS HA H 4.996 0.000 . 1273 109 112 CYS HB2 H 2.477 0.000 . 1274 109 112 CYS HB3 H 3.299 0.000 . 1275 109 112 CYS CA C 54.523 0.000 . 1276 109 112 CYS CB C 28.860 0.000 . 1277 109 112 CYS N N 112.678 0.000 . 1278 110 113 PRO HA H 4.560 0.000 . 1279 110 113 PRO HB2 H 2.512 0.000 . 1280 110 113 PRO HB3 H 2.067 0.000 . 1281 110 113 PRO HG2 H 2.018 0.000 . 1282 110 113 PRO HG3 H 2.108 0.000 . 1283 110 113 PRO HD2 H 3.598 0.000 . 1284 110 113 PRO HD3 H 3.837 0.000 . 1285 110 113 PRO C C 177.619 0.000 . 1286 110 113 PRO CA C 62.725 0.000 . 1287 110 113 PRO CB C 32.413 0.000 . 1288 110 113 PRO CG C 27.709 0.000 . 1289 110 113 PRO CD C 51.117 0.000 . 1290 111 114 ALA H H 8.966 0.000 . 1291 111 114 ALA HA H 3.971 0.000 . 1292 111 114 ALA HB H 1.598 0.000 . 1293 111 114 ALA C C 179.200 0.000 . 1294 111 114 ALA CA C 55.301 0.000 . 1295 111 114 ALA CB C 17.909 0.000 . 1296 111 114 ALA N N 126.794 0.000 . 1297 112 115 SER H H 8.382 0.000 . 1298 112 115 SER HA H 4.265 0.000 . 1299 112 115 SER HB2 H 3.996 0.000 . 1300 112 115 SER HB3 H 3.996 0.000 . 1301 112 115 SER C C 176.764 0.000 . 1302 112 115 SER CA C 60.887 0.000 . 1303 112 115 SER CB C 61.877 0.000 . 1304 112 115 SER N N 111.548 0.000 . 1305 113 116 LEU H H 7.447 0.000 . 1306 113 116 LEU HA H 4.196 0.000 . 1307 113 116 LEU HB2 H 1.555 0.000 . 1308 113 116 LEU HB3 H 2.046 0.000 . 1309 113 116 LEU HG H 1.738 0.000 . 1310 113 116 LEU HD1 H 0.867 0.000 . 1311 113 116 LEU HD2 H 1.115 0.000 . 1312 113 116 LEU C C 179.317 0.000 . 1313 113 116 LEU CA C 57.368 0.000 . 1314 113 116 LEU CB C 42.376 0.000 . 1315 113 116 LEU CG C 27.582 0.000 . 1316 113 116 LEU CD1 C 23.119 0.000 . 1317 113 116 LEU CD2 C 25.894 0.000 . 1318 113 116 LEU N N 120.782 0.000 . 1319 114 117 ARG H H 7.196 0.000 . 1320 114 117 ARG HA H 4.075 0.000 . 1321 114 117 ARG HB2 H 1.801 0.000 . 1322 114 117 ARG HB3 H 2.618 0.000 . 1323 114 117 ARG HG2 H 1.977 0.000 . 1324 114 117 ARG HG3 H 2.089 0.000 . 1325 114 117 ARG HD2 H 3.575 0.000 . 1326 114 117 ARG HD3 H 3.575 0.000 . 1327 114 117 ARG HE H 8.079 0.000 . 1328 114 117 ARG HH11 H 6.916 0.000 . 1329 114 117 ARG HH12 H 6.916 0.000 . 1330 114 117 ARG C C 177.762 0.000 . 1331 114 117 ARG CA C 59.708 0.000 . 1332 114 117 ARG CB C 27.948 0.000 . 1333 114 117 ARG CG C 26.131 0.000 . 1334 114 117 ARG CD C 44.025 0.000 . 1335 114 117 ARG CZ C 160.419 0.000 . 1336 114 117 ARG N N 119.705 0.000 . 1337 114 117 ARG NE N 84.119 0.000 . 1338 114 117 ARG NH1 N 72.110 0.000 . 1339 115 118 ASP H H 7.857 0.000 . 1340 115 118 ASP HA H 4.833 0.000 . 1341 115 118 ASP HB2 H 2.875 0.000 . 1342 115 118 ASP HB3 H 3.117 0.000 . 1343 115 118 ASP C C 178.631 0.000 . 1344 115 118 ASP CA C 58.149 0.000 . 1345 115 118 ASP CB C 39.862 0.000 . 1346 115 118 ASP N N 121.346 0.000 . 1347 116 119 VAL H H 8.106 0.000 . 1348 116 119 VAL HA H 3.805 0.000 . 1349 116 119 VAL HB H 2.013 0.000 . 1350 116 119 VAL HG1 H 0.936 0.000 . 1351 116 119 VAL HG2 H 1.160 0.000 . 1352 116 119 VAL C C 178.229 0.000 . 1353 116 119 VAL CA C 66.186 0.000 . 1354 116 119 VAL CB C 32.101 0.000 . 1355 116 119 VAL CG1 C 21.566 0.000 . 1356 116 119 VAL CG2 C 22.596 0.000 . 1357 116 119 VAL N N 118.999 0.000 . 1358 117 120 ALA H H 8.166 0.000 . 1359 117 120 ALA HA H 3.823 0.000 . 1360 117 120 ALA HB H 1.251 0.000 . 1361 117 120 ALA C C 181.836 0.000 . 1362 117 120 ALA CA C 55.590 0.000 . 1363 117 120 ALA CB C 18.080 0.000 . 1364 117 120 ALA N N 121.897 0.000 . 1365 118 121 TYR H H 8.753 0.000 . 1366 118 121 TYR HA H 3.993 0.000 . 1367 118 121 TYR HB2 H 2.773 0.000 . 1368 118 121 TYR HB3 H 3.078 0.000 . 1369 118 121 TYR HD1 H 6.905 0.000 . 1370 118 121 TYR HD2 H 6.905 0.000 . 1371 118 121 TYR HE1 H 6.520 0.000 . 1372 118 121 TYR HE2 H 6.520 0.000 . 1373 118 121 TYR C C 178.365 0.000 . 1374 118 121 TYR CA C 65.149 0.000 . 1375 118 121 TYR CB C 38.308 0.000 . 1376 118 121 TYR CD1 C 132.873 0.000 . 1377 118 121 TYR CE1 C 117.318 0.000 . 1378 118 121 TYR N N 119.200 0.000 . 1379 119 122 GLN H H 8.767 0.000 . 1380 119 122 GLN HA H 3.979 0.000 . 1381 119 122 GLN HB2 H 2.414 0.000 . 1382 119 122 GLN HB3 H 2.123 0.000 . 1383 119 122 GLN HG2 H 2.291 0.000 . 1384 119 122 GLN HG3 H 2.633 0.000 . 1385 119 122 GLN HE21 H 7.255 0.000 . 1386 119 122 GLN HE22 H 6.777 0.000 . 1387 119 122 GLN C C 179.265 0.000 . 1388 119 122 GLN CA C 60.011 0.000 . 1389 119 122 GLN CB C 28.352 0.000 . 1390 119 122 GLN CG C 34.582 0.000 . 1391 119 122 GLN CD C 179.782 0.000 . 1392 119 122 GLN N N 120.500 0.000 . 1393 119 122 GLN NE2 N 110.793 0.000 . 1394 120 123 GLU H H 8.468 0.000 . 1395 120 123 GLU HA H 4.239 0.000 . 1396 120 123 GLU HB2 H 2.002 0.000 . 1397 120 123 GLU HB3 H 2.055 0.000 . 1398 120 123 GLU HG2 H 2.219 0.000 . 1399 120 123 GLU HG3 H 2.413 0.000 . 1400 120 123 GLU C C 179.361 0.000 . 1401 120 123 GLU CA C 58.524 0.000 . 1402 120 123 GLU CB C 29.108 0.000 . 1403 120 123 GLU CG C 35.666 0.000 . 1404 120 123 GLU N N 119.710 0.000 . 1405 121 124 ALA H H 7.858 0.000 . 1406 121 124 ALA HA H 4.270 0.000 . 1407 121 124 ALA HB H 1.195 0.000 . 1408 121 124 ALA C C 178.468 0.000 . 1409 121 124 ALA CA C 54.939 0.000 . 1410 121 124 ALA CB C 16.919 0.000 . 1411 121 124 ALA N N 124.916 0.000 . 1412 122 125 VAL H H 8.480 0.000 . 1413 122 125 VAL HA H 3.269 0.000 . 1414 122 125 VAL HB H 2.161 0.000 . 1415 122 125 VAL HG1 H 0.887 0.000 . 1416 122 125 VAL HG2 H 0.893 0.000 . 1417 122 125 VAL C C 178.487 0.000 . 1418 122 125 VAL CA C 67.130 0.000 . 1419 122 125 VAL CB C 31.467 0.000 . 1420 122 125 VAL CG1 C 21.493 0.000 . 1421 122 125 VAL CG2 C 23.170 0.000 . 1422 122 125 VAL N N 119.263 0.000 . 1423 123 126 ARG H H 8.315 0.000 . 1424 123 126 ARG HA H 3.949 0.000 . 1425 123 126 ARG HB2 H 1.944 0.000 . 1426 123 126 ARG HB3 H 1.944 0.000 . 1427 123 126 ARG HG2 H 1.580 0.000 . 1428 123 126 ARG HG3 H 1.736 0.000 . 1429 123 126 ARG HD2 H 3.162 0.000 . 1430 123 126 ARG HD3 H 3.225 0.000 . 1431 123 126 ARG HE H 7.630 0.000 . 1432 123 126 ARG HH11 H 6.792 0.000 . 1433 123 126 ARG HH12 H 6.792 0.000 . 1434 123 126 ARG C C 179.253 0.000 . 1435 123 126 ARG CA C 60.050 0.000 . 1436 123 126 ARG CB C 30.044 0.000 . 1437 123 126 ARG CG C 27.227 0.000 . 1438 123 126 ARG CD C 43.208 0.000 . 1439 123 126 ARG CZ C 159.591 0.000 . 1440 123 126 ARG N N 121.580 0.000 . 1441 123 126 ARG NE N 83.389 0.000 . 1442 124 127 THR H H 8.245 0.000 . 1443 124 127 THR HA H 3.842 0.000 . 1444 124 127 THR HB H 4.384 0.000 . 1445 124 127 THR HG2 H 1.267 0.000 . 1446 124 127 THR C C 177.007 0.000 . 1447 124 127 THR CA C 67.265 0.000 . 1448 124 127 THR CB C 68.514 0.000 . 1449 124 127 THR CG2 C 21.011 0.000 . 1450 124 127 THR N N 117.270 0.000 . 1451 125 128 LEU H H 8.559 0.000 . 1452 125 128 LEU HA H 3.963 0.000 . 1453 125 128 LEU HB2 H 1.525 0.000 . 1454 125 128 LEU HB3 H 1.460 0.000 . 1455 125 128 LEU HG H 1.708 0.000 . 1456 125 128 LEU HD1 H 0.679 0.000 . 1457 125 128 LEU HD2 H 0.866 0.000 . 1458 125 128 LEU C C 179.697 0.000 . 1459 125 128 LEU CA C 61.502 0.000 . 1460 125 128 LEU CB C 41.388 0.000 . 1461 125 128 LEU CG C 33.445 0.000 . 1462 125 128 LEU CD1 C 25.807 0.000 . 1463 125 128 LEU CD2 C 23.068 0.000 . 1464 125 128 LEU N N 122.795 0.000 . 1465 126 129 SER H H 8.730 0.000 . 1466 126 129 SER HA H 4.279 0.000 . 1467 126 129 SER HB2 H 3.970 0.000 . 1468 126 129 SER HB3 H 4.002 0.000 . 1469 126 129 SER C C 178.291 0.000 . 1470 126 129 SER CA C 61.747 0.000 . 1471 126 129 SER CB C 62.745 0.000 . 1472 126 129 SER N N 114.738 0.000 . 1473 127 130 SER H H 8.018 0.000 . 1474 127 130 SER HA H 4.319 0.000 . 1475 127 130 SER HB2 H 4.081 0.000 . 1476 127 130 SER HB3 H 4.081 0.000 . 1477 127 130 SER C C 174.474 0.000 . 1478 127 130 SER CA C 61.392 0.000 . 1479 127 130 SER CB C 63.190 0.000 . 1480 127 130 SER N N 117.148 0.000 . 1481 128 131 ARG H H 7.086 0.000 . 1482 128 131 ARG HA H 4.769 0.000 . 1483 128 131 ARG HB2 H 1.869 0.000 . 1484 128 131 ARG HB3 H 2.032 0.000 . 1485 128 131 ARG HG2 H 1.661 0.000 . 1486 128 131 ARG HG3 H 1.925 0.000 . 1487 128 131 ARG HD2 H 3.165 0.000 . 1488 128 131 ARG HD3 H 3.239 0.000 . 1489 128 131 ARG HE H 7.620 0.000 . 1490 128 131 ARG HH11 H 7.126 0.000 . 1491 128 131 ARG HH12 H 6.398 0.000 . 1492 128 131 ARG HH22 H 7.126 0.000 . 1493 128 131 ARG C C 174.919 0.000 . 1494 128 131 ARG CA C 54.534 0.000 . 1495 128 131 ARG CB C 30.715 0.000 . 1496 128 131 ARG CG C 26.899 0.000 . 1497 128 131 ARG CD C 43.976 0.000 . 1498 128 131 ARG CZ C 159.635 0.000 . 1499 128 131 ARG N N 116.741 0.000 . 1500 128 131 ARG NE N 85.157 0.000 . 1501 129 132 ASP H H 8.020 0.000 . 1502 129 132 ASP HA H 4.338 0.000 . 1503 129 132 ASP HB2 H 2.551 0.000 . 1504 129 132 ASP HB3 H 3.036 0.000 . 1505 129 132 ASP C C 175.052 0.000 . 1506 129 132 ASP CA C 55.105 0.000 . 1507 129 132 ASP CB C 39.381 0.000 . 1508 129 132 ASP N N 120.967 0.000 . 1509 130 133 ASP H H 7.825 0.000 . 1510 130 133 ASP HA H 4.494 0.000 . 1511 130 133 ASP HB2 H 2.522 0.000 . 1512 130 133 ASP HB3 H 2.522 0.000 . 1513 130 133 ASP C C 178.975 0.000 . 1514 130 133 ASP CA C 55.234 0.000 . 1515 130 133 ASP CB C 45.115 0.000 . 1516 130 133 ASP N N 117.331 0.000 . 1517 131 134 HIS H H 9.221 0.000 . 1518 131 134 HIS HA H 4.625 0.000 . 1519 131 134 HIS HB2 H 3.381 0.000 . 1520 131 134 HIS HB3 H 3.381 0.000 . 1521 131 134 HIS HD2 H 7.301 0.000 . 1522 131 134 HIS HE1 H 8.207 0.000 . 1523 131 134 HIS C C 176.258 0.000 . 1524 131 134 HIS CA C 58.290 0.000 . 1525 131 134 HIS CB C 29.040 0.000 . 1526 131 134 HIS CD2 C 120.087 0.000 . 1527 131 134 HIS CE1 C 137.749 0.000 . 1528 131 134 HIS N N 127.457 0.000 . 1529 132 135 ARG H H 9.479 0.000 . 1530 132 135 ARG HA H 4.618 0.000 . 1531 132 135 ARG HB2 H 1.763 0.000 . 1532 132 135 ARG HB3 H 2.446 0.000 . 1533 132 135 ARG HG2 H 1.053 0.000 . 1534 132 135 ARG HG3 H 1.742 0.000 . 1535 132 135 ARG HD2 H 3.233 0.000 . 1536 132 135 ARG HD3 H 3.340 0.000 . 1537 132 135 ARG HE H 7.865 0.000 . 1538 132 135 ARG HH11 H 7.669 0.000 . 1539 132 135 ARG HH12 H 7.171 0.000 . 1540 132 135 ARG HH22 H 7.669 0.000 . 1541 132 135 ARG C C 175.687 0.000 . 1542 132 135 ARG CA C 55.707 0.000 . 1543 132 135 ARG CB C 29.267 0.000 . 1544 132 135 ARG CG C 25.639 0.000 . 1545 132 135 ARG CD C 43.656 0.000 . 1546 132 135 ARG CZ C 160.478 0.000 . 1547 132 135 ARG N N 120.735 0.000 . 1548 132 135 ARG NE N 84.218 0.000 . 1549 132 135 ARG NH2 N 71.451 0.000 . 1550 133 136 LEU H H 7.660 0.000 . 1551 133 136 LEU HA H 3.675 0.000 . 1552 133 136 LEU HB2 H 1.511 0.000 . 1553 133 136 LEU HB3 H 1.854 0.000 . 1554 133 136 LEU HG H 1.461 0.000 . 1555 133 136 LEU HD1 H 0.873 0.000 . 1556 133 136 LEU HD2 H 0.900 0.000 . 1557 133 136 LEU C C 177.272 0.000 . 1558 133 136 LEU CA C 58.704 0.000 . 1559 133 136 LEU CB C 42.026 0.000 . 1560 133 136 LEU CG C 26.726 0.000 . 1561 133 136 LEU CD1 C 24.116 0.000 . 1562 133 136 LEU CD2 C 26.290 0.000 . 1563 133 136 LEU N N 120.131 0.000 . 1564 134 137 GLY H H 8.645 0.000 . 1565 134 137 GLY HA2 H 3.821 0.000 . 1566 134 137 GLY HA3 H 3.821 0.000 . 1567 134 137 GLY C C 176.033 0.000 . 1568 134 137 GLY CA C 47.300 0.000 . 1569 134 137 GLY N N 105.830 0.000 . 1570 135 138 GLU H H 7.631 0.000 . 1571 135 138 GLU HA H 4.162 0.000 . 1572 135 138 GLU HB2 H 2.275 0.000 . 1573 135 138 GLU HB3 H 2.383 0.000 . 1574 135 138 GLU HG2 H 2.375 0.000 . 1575 135 138 GLU HG3 H 2.528 0.000 . 1576 135 138 GLU C C 179.586 0.000 . 1577 135 138 GLU CA C 59.062 0.000 . 1578 135 138 GLU CB C 29.711 0.000 . 1579 135 138 GLU CG C 36.100 0.000 . 1580 135 138 GLU N N 123.418 0.000 . 1581 136 139 LEU H H 7.799 0.000 . 1582 136 139 LEU HA H 3.695 0.000 . 1583 136 139 LEU HB2 H -0.302 0.000 . 1584 136 139 LEU HB3 H 1.382 0.000 . 1585 136 139 LEU HG H 1.006 0.000 . 1586 136 139 LEU HD1 H -0.160 0.000 . 1587 136 139 LEU HD2 H 0.222 0.000 . 1588 136 139 LEU C C 177.748 0.000 . 1589 136 139 LEU CA C 57.835 0.000 . 1590 136 139 LEU CB C 39.188 0.000 . 1591 136 139 LEU CG C 26.821 0.000 . 1592 136 139 LEU CD1 C 20.426 0.000 . 1593 136 139 LEU CD2 C 28.004 0.000 . 1594 136 139 LEU N N 122.139 0.000 . 1595 137 140 GLN H H 9.050 0.000 . 1596 137 140 GLN HA H 3.669 0.000 . 1597 137 140 GLN HB2 H 1.922 0.000 . 1598 137 140 GLN HB3 H 2.279 0.000 . 1599 137 140 GLN HG2 H 2.112 0.000 . 1600 137 140 GLN HG3 H 2.475 0.000 . 1601 137 140 GLN HE21 H 6.982 0.000 . 1602 137 140 GLN HE22 H 6.793 0.000 . 1603 137 140 GLN C C 178.731 0.000 . 1604 137 140 GLN CA C 60.022 0.000 . 1605 137 140 GLN CB C 28.433 0.000 . 1606 137 140 GLN CG C 35.231 0.000 . 1607 137 140 GLN CD C 178.891 0.000 . 1608 137 140 GLN N N 118.421 0.000 . 1609 137 140 GLN NE2 N 110.218 0.000 . 1610 138 141 ASP H H 7.968 0.000 . 1611 138 141 ASP HA H 4.324 0.000 . 1612 138 141 ASP HB2 H 2.635 0.000 . 1613 138 141 ASP HB3 H 2.753 0.000 . 1614 138 141 ASP C C 177.749 0.000 . 1615 138 141 ASP CA C 57.530 0.000 . 1616 138 141 ASP CB C 40.716 0.000 . 1617 138 141 ASP N N 119.712 0.000 . 1618 139 142 GLU H H 7.933 0.000 . 1619 139 142 GLU HA H 3.955 0.000 . 1620 139 142 GLU HB2 H 2.276 0.000 . 1621 139 142 GLU HB3 H 2.462 0.000 . 1622 139 142 GLU HG2 H 1.948 0.000 . 1623 139 142 GLU HG3 H 2.356 0.000 . 1624 139 142 GLU C C 177.616 0.000 . 1625 139 142 GLU CA C 59.675 0.000 . 1626 139 142 GLU CB C 31.055 0.000 . 1627 139 142 GLU CG C 36.199 0.000 . 1628 139 142 GLU N N 122.678 0.000 . 1629 140 143 ALA H H 8.873 0.000 . 1630 140 143 ALA HA H 2.521 0.000 . 1631 140 143 ALA HB H 1.009 0.000 . 1632 140 143 ALA C C 179.032 0.000 . 1633 140 143 ALA CA C 54.548 0.000 . 1634 140 143 ALA CB C 18.714 0.000 . 1635 140 143 ALA N N 120.408 0.000 . 1636 141 144 ARG H H 8.019 0.000 . 1637 141 144 ARG HA H 3.742 0.000 . 1638 141 144 ARG HB2 H 1.815 0.000 . 1639 141 144 ARG HB3 H 1.892 0.000 . 1640 141 144 ARG HG2 H 1.552 0.000 . 1641 141 144 ARG HG3 H 1.646 0.000 . 1642 141 144 ARG HD2 H 3.096 0.000 . 1643 141 144 ARG HD3 H 3.096 0.000 . 1644 141 144 ARG HE H 7.318 0.000 . 1645 141 144 ARG HH11 H 6.854 0.000 . 1646 141 144 ARG HH12 H 6.607 0.000 . 1647 141 144 ARG HH22 H 6.854 0.000 . 1648 141 144 ARG C C 179.049 0.000 . 1649 141 144 ARG CA C 59.292 0.000 . 1650 141 144 ARG CB C 29.943 0.000 . 1651 141 144 ARG CG C 27.810 0.000 . 1652 141 144 ARG CD C 43.470 0.000 . 1653 141 144 ARG N N 117.305 0.000 . 1654 141 144 ARG NE N 84.224 0.000 . 1655 142 145 ASN H H 7.723 0.000 . 1656 142 145 ASN HA H 4.336 0.000 . 1657 142 145 ASN HB2 H 2.691 0.000 . 1658 142 145 ASN HB3 H 2.844 0.000 . 1659 142 145 ASN HD21 H 7.518 0.000 . 1660 142 145 ASN HD22 H 6.867 0.000 . 1661 142 145 ASN C C 177.219 0.000 . 1662 142 145 ASN CA C 56.168 0.000 . 1663 142 145 ASN CB C 39.222 0.000 . 1664 142 145 ASN CG C 176.130 0.000 . 1665 142 145 ASN N N 116.961 0.000 . 1666 142 145 ASN ND2 N 113.415 0.000 . 1667 143 146 ARG H H 8.141 0.000 . 1668 143 146 ARG HA H 4.001 0.000 . 1669 143 146 ARG HB2 H 1.261 0.000 . 1670 143 146 ARG HB3 H 1.501 0.000 . 1671 143 146 ARG HG2 H 1.400 0.000 . 1672 143 146 ARG HG3 H 1.521 0.000 . 1673 143 146 ARG HD2 H 2.170 0.000 . 1674 143 146 ARG HD3 H 2.291 0.000 . 1675 143 146 ARG HE H 7.202 0.000 . 1676 143 146 ARG HH11 H 6.792 0.000 . 1677 143 146 ARG HH12 H 6.688 0.000 . 1678 143 146 ARG HH22 H 6.792 0.000 . 1679 143 146 ARG C C 177.773 0.000 . 1680 143 146 ARG CA C 57.554 0.000 . 1681 143 146 ARG CB C 31.080 0.000 . 1682 143 146 ARG CG C 27.341 0.000 . 1683 143 146 ARG CD C 42.430 0.000 . 1684 143 146 ARG CZ C 159.135 0.000 . 1685 143 146 ARG N N 116.318 0.000 . 1686 143 146 ARG NE N 86.507 0.000 . 1687 144 147 CYS H H 8.025 0.000 . 1688 144 147 CYS HA H 4.313 0.000 . 1689 144 147 CYS HB2 H 1.929 0.000 . 1690 144 147 CYS HB3 H 2.650 0.000 . 1691 144 147 CYS C C 175.801 0.000 . 1692 144 147 CYS CA C 59.159 0.000 . 1693 144 147 CYS CB C 28.555 0.000 . 1694 144 147 CYS N N 112.833 0.000 . 1695 145 148 GLY H H 7.594 0.000 . 1696 145 148 GLY HA2 H 4.073 0.000 . 1697 145 148 GLY HA3 H 3.888 0.000 . 1698 145 148 GLY C C 174.284 0.000 . 1699 145 148 GLY CA C 46.023 0.000 . 1700 145 148 GLY N N 107.562 0.000 . 1701 146 149 TRP H H 7.402 0.000 . 1702 146 149 TRP HA H 4.716 0.000 . 1703 146 149 TRP HB2 H 3.145 0.000 . 1704 146 149 TRP HB3 H 3.294 0.000 . 1705 146 149 TRP HD1 H 7.023 0.000 . 1706 146 149 TRP HE1 H 10.224 0.000 . 1707 146 149 TRP HE3 H 7.383 0.000 . 1708 146 149 TRP HZ2 H 7.411 0.000 . 1709 146 149 TRP HZ3 H 6.990 0.000 . 1710 146 149 TRP HH2 H 7.029 0.000 . 1711 146 149 TRP C C 175.221 0.000 . 1712 146 149 TRP CA C 55.637 0.000 . 1713 146 149 TRP CB C 29.723 0.000 . 1714 146 149 TRP CD1 C 126.369 0.000 . 1715 146 149 TRP CE3 C 120.559 0.000 . 1716 146 149 TRP CZ2 C 114.645 0.000 . 1717 146 149 TRP CZ3 C 122.036 0.000 . 1718 146 149 TRP CH2 C 124.114 0.000 . 1719 146 149 TRP N N 117.830 0.000 . 1720 146 149 TRP NE1 N 130.324 0.000 . 1721 147 150 ASP H H 8.595 0.000 . 1722 147 150 ASP HA H 4.523 0.000 . 1723 147 150 ASP HB2 H 2.537 0.000 . 1724 147 150 ASP HB3 H 2.683 0.000 . 1725 147 150 ASP C C 175.947 0.000 . 1726 147 150 ASP CA C 54.157 0.000 . 1727 147 150 ASP CB C 40.484 0.000 . 1728 147 150 ASP N N 119.226 0.000 . 1729 148 151 ILE H H 7.697 0.000 . 1730 148 151 ILE HA H 3.683 0.000 . 1731 148 151 ILE HB H 1.593 0.000 . 1732 148 151 ILE HG12 H 0.964 0.000 . 1733 148 151 ILE HG13 H 1.244 0.000 . 1734 148 151 ILE HG2 H 0.656 0.000 . 1735 148 151 ILE HD1 H 0.669 0.000 . 1736 148 151 ILE C C 175.837 0.000 . 1737 148 151 ILE CA C 61.348 0.000 . 1738 148 151 ILE CB C 38.323 0.000 . 1739 148 151 ILE CG1 C 27.322 0.000 . 1740 148 151 ILE CG2 C 17.523 0.000 . 1741 148 151 ILE CD1 C 13.270 0.000 . 1742 148 151 ILE N N 121.747 0.000 . 1743 149 152 ALA H H 8.122 0.000 . 1744 149 152 ALA HA H 4.274 0.000 . 1745 149 152 ALA HB H 1.328 0.000 . 1746 149 152 ALA C C 177.665 0.000 . 1747 149 152 ALA CA C 52.402 0.000 . 1748 149 152 ALA CB C 19.439 0.000 . 1749 149 152 ALA N N 125.370 0.000 . 1750 150 153 GLY H H 7.981 0.000 . 1751 150 153 GLY HA2 H 3.901 0.000 . 1752 150 153 GLY HA3 H 3.815 0.000 . 1753 150 153 GLY C C 173.228 0.000 . 1754 150 153 GLY CA C 44.969 0.000 . 1755 150 153 GLY N N 107.255 0.000 . 1756 151 154 ASP H H 8.130 0.000 . 1757 151 154 ASP HA H 4.789 0.000 . 1758 151 154 ASP HB2 H 2.539 0.000 . 1759 151 154 ASP HB3 H 2.694 0.000 . 1760 151 154 ASP CA C 52.113 0.000 . 1761 151 154 ASP CB C 41.415 0.000 . 1762 151 154 ASP N N 121.130 0.000 . 1763 152 155 PRO HA H 4.353 0.000 . 1764 152 155 PRO HB2 H 2.220 0.000 . 1765 152 155 PRO HB3 H 1.922 0.000 . 1766 152 155 PRO HG2 H 1.963 0.000 . 1767 152 155 PRO HG3 H 1.963 0.000 . 1768 152 155 PRO HD2 H 3.699 0.000 . 1769 152 155 PRO HD3 H 3.749 0.000 . 1770 152 155 PRO C C 177.633 0.000 . 1771 152 155 PRO CA C 63.980 0.000 . 1772 152 155 PRO CB C 31.921 0.000 . 1773 152 155 PRO CG C 27.129 0.000 . 1774 152 155 PRO CD C 50.717 0.000 . 1775 153 156 GLY H H 8.498 0.000 . 1776 153 156 GLY HA2 H 3.931 0.000 . 1777 153 156 GLY HA3 H 3.866 0.000 . 1778 153 156 GLY C C 174.336 0.000 . 1779 153 156 GLY CA C 45.403 0.000 . 1780 153 156 GLY N N 108.092 0.000 . 1781 154 157 SER H H 7.939 0.000 . 1782 154 157 SER HA H 4.420 0.000 . 1783 154 157 SER HB2 H 3.852 0.000 . 1784 154 157 SER HB3 H 3.852 0.000 . 1785 154 157 SER C C 174.223 0.000 . 1786 154 157 SER CA C 58.449 0.000 . 1787 154 157 SER CB C 63.971 0.000 . 1788 154 157 SER N N 115.423 0.000 . 1789 155 158 ILE H H 7.971 0.000 . 1790 155 158 ILE HA H 4.156 0.000 . 1791 155 158 ILE HB H 1.861 0.000 . 1792 155 158 ILE HG12 H 1.154 0.000 . 1793 155 158 ILE HG13 H 1.447 0.000 . 1794 155 158 ILE HG2 H 0.878 0.000 . 1795 155 158 ILE HD1 H 0.819 0.000 . 1796 155 158 ILE C C 175.269 0.000 . 1797 155 158 ILE CA C 61.377 0.000 . 1798 155 158 ILE CB C 38.498 0.000 . 1799 155 158 ILE CG1 C 27.184 0.000 . 1800 155 158 ILE CG2 C 17.535 0.000 . 1801 155 158 ILE CD1 C 12.934 0.000 . 1802 155 158 ILE N N 122.386 0.000 . 1803 156 159 ARG H H 7.908 0.000 . 1804 156 159 ARG HA H 4.165 0.000 . 1805 156 159 ARG HB2 H 1.660 0.000 . 1806 156 159 ARG HB3 H 1.792 0.000 . 1807 156 159 ARG HG2 H 1.534 0.000 . 1808 156 159 ARG HG3 H 1.534 0.000 . 1809 156 159 ARG HD2 H 3.121 0.000 . 1810 156 159 ARG HD3 H 3.121 0.000 . 1811 156 159 ARG HE H 7.144 0.000 . 1812 156 159 ARG CA C 57.298 0.000 . 1813 156 159 ARG CB C 31.640 0.000 . 1814 156 159 ARG CG C 27.081 0.000 . 1815 156 159 ARG CD C 43.438 0.000 . 1816 156 159 ARG N N 130.210 0.000 . 1817 156 159 ARG NE N 85.066 0.000 . stop_ save_