data_16250 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e. ; _BMRB_accession_number 16250 _BMRB_flat_file_name bmr16250.str _Entry_type original _Submission_date 2009-04-09 _Accession_date 2009-04-09 _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 Mills Jeffrey L. . 2 Ghosh Arindam . . 3 Garcia Erwin . . 4 Zhang Qi . . 5 Shastry Ritu . . 6 Foote Erica L. . 7 Janjua Haleema . . 8 Acton Thomas B. . 9 Xiao Rong . . 10 Everett John K. . 11 Montelione Gaetano T. . 12 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 623 "13C chemical shifts" 352 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-03 update BMRB 'edit assembly name' 2009-06-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR solution structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e.' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mills Jeffrey L. . 2 Ghosh Arindam . . 3 Garcia Erwin . . 4 Zhang Qi . . 5 Shastry Ritu . . 6 Foote Erica L. . 7 Janjua Haleema . . 8 Acton Thomas B. . 9 Xiao Rong . . 10 Everett John K. . 11 Montelione Gaetano T. . 12 Szyperski Thomas . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'GFT NMR' 'High throughput' 'human intersectin-1' NESGC stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human intersectin-1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HR3646E $HR3646E 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_HR3646E _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR3646E _Molecular_mass 13614.668 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; MGHHHHHHSHMAQFPTPFGG SLDTWAITVEERAKHDQQFH SLKPISGFITGDQARNFFFQ SGLPQPVLAQIWALADMNND GRMDQVEFSIAMKLIKLKLQ GYQLPSALPPVMKQQPVAIS S ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 SER 10 HIS 11 MET 12 ALA 13 GLN 14 PHE 15 PRO 16 THR 17 PRO 18 PHE 19 GLY 20 GLY 21 SER 22 LEU 23 ASP 24 THR 25 TRP 26 ALA 27 ILE 28 THR 29 VAL 30 GLU 31 GLU 32 ARG 33 ALA 34 LYS 35 HIS 36 ASP 37 GLN 38 GLN 39 PHE 40 HIS 41 SER 42 LEU 43 LYS 44 PRO 45 ILE 46 SER 47 GLY 48 PHE 49 ILE 50 THR 51 GLY 52 ASP 53 GLN 54 ALA 55 ARG 56 ASN 57 PHE 58 PHE 59 PHE 60 GLN 61 SER 62 GLY 63 LEU 64 PRO 65 GLN 66 PRO 67 VAL 68 LEU 69 ALA 70 GLN 71 ILE 72 TRP 73 ALA 74 LEU 75 ALA 76 ASP 77 MET 78 ASN 79 ASN 80 ASP 81 GLY 82 ARG 83 MET 84 ASP 85 GLN 86 VAL 87 GLU 88 PHE 89 SER 90 ILE 91 ALA 92 MET 93 LYS 94 LEU 95 ILE 96 LYS 97 LEU 98 LYS 99 LEU 100 GLN 101 GLY 102 TYR 103 GLN 104 LEU 105 PRO 106 SER 107 ALA 108 LEU 109 PRO 110 PRO 111 VAL 112 MET 113 LYS 114 GLN 115 GLN 116 PRO 117 VAL 118 ALA 119 ILE 120 SER 121 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2KHN "Nmr Solution Structure Of The Eh 1 Domain From Human Intersectin-1 Protein. Northeast Structural Genomics Consortium Target Hr3" 100.00 121 100.00 100.00 1.10e-82 GB ABW71829 "intersectin short variant 12 [Homo sapiens]" 51.24 105 98.39 98.39 2.07e-36 REF XP_004318550 "PREDICTED: intersectin-1 [Tursiops truncatus]" 51.24 62 98.39 98.39 5.12e-36 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HR3646E Human 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 $HR3646E 'recombinant technology' . Escherichia coli . 'pET 14-15C' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR3646E 0.87 mM '[U-98% 13C; U-98% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_NC5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR3646E 0.81 mM '[U-5% 13C; U-98% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'calcium chloride' 5 mM 'natural abundance' DTT 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPSCAN _Saveframe_category software _Name SPSCAN _Version . loop_ _Vendor _Address _Electronic_address Glaser . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 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 $NC save_ save_3D_sim._15N,13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D sim. 15N,13C NOESY' _Sample_label $NC save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NC save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $NC5 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NC save_ save_GFT_(4,3)D_HNCABCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HNCABCA' _Sample_label $NC save_ save_GFT_(4,3)D_CABCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D CABCA(CO)NH' _Sample_label $NC save_ save_GFT_(4,3)D_arom._HCCH_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D arom. HCCH' _Sample_label $NC save_ save_GFT_(4,3)D_aliph._HCCH_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D aliph. HCCH' _Sample_label $NC save_ save_GFT_(4,3)D_HABCAB(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HABCAB(CO)NH' _Sample_label $NC save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D sim. 15N,13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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' 430 . mM pH 6.5 . pH pressure 1.0 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $XEASY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D sim. 15N,13C NOESY' stop_ loop_ _Sample_label $NC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HR3646E _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 12 12 ALA H H 8.223 0.020 1 2 12 12 ALA HA H 4.220 0.020 1 3 12 12 ALA HB H 1.321 0.020 1 4 12 12 ALA CA C 52.323 0.400 1 5 12 12 ALA CB C 19.015 0.400 1 6 12 12 ALA N N 124.624 0.400 1 7 13 13 GLN H H 8.220 0.020 1 8 13 13 GLN HA H 4.292 0.020 1 9 13 13 GLN HB2 H 1.969 0.020 2 10 13 13 GLN HB3 H 1.897 0.020 2 11 13 13 GLN CA C 55.457 0.400 1 12 13 13 GLN CB C 29.804 0.400 1 13 13 13 GLN N N 119.119 0.400 1 14 14 14 PHE H H 8.109 0.020 1 15 14 14 PHE HA H 4.559 0.020 1 16 14 14 PHE HB2 H 2.952 0.020 2 17 14 14 PHE HB3 H 2.941 0.020 2 18 14 14 PHE CA C 58.250 0.400 1 19 14 14 PHE CB C 39.950 0.400 1 20 14 14 PHE N N 121.712 0.400 1 21 15 15 PRO HA H 4.492 0.020 1 22 15 15 PRO HB2 H 2.228 0.020 2 23 15 15 PRO HB3 H 1.890 0.020 2 24 15 15 PRO HD2 H 3.728 0.020 2 25 15 15 PRO HD3 H 3.525 0.020 2 26 15 15 PRO HG2 H 1.954 0.020 2 27 15 15 PRO HG3 H 1.951 0.020 2 28 15 15 PRO CA C 63.047 0.400 1 29 15 15 PRO CB C 31.810 0.400 1 30 15 15 PRO CD C 50.354 0.400 1 31 15 15 PRO CG C 27.140 0.400 1 32 16 16 THR H H 8.197 0.020 1 33 16 16 THR HA H 4.614 0.020 1 34 16 16 THR HB H 4.174 0.020 1 35 16 16 THR HG2 H 1.246 0.020 1 36 16 16 THR CA C 59.526 0.400 1 37 16 16 THR CB C 69.603 0.400 1 38 16 16 THR CG2 C 21.307 0.400 1 39 16 16 THR N N 115.700 0.400 1 40 17 17 PRO HA H 4.360 0.020 1 41 17 17 PRO HB2 H 2.151 0.020 2 42 17 17 PRO HB3 H 1.639 0.020 2 43 17 17 PRO HD2 H 3.788 0.020 2 44 17 17 PRO HD3 H 3.621 0.020 2 45 17 17 PRO HG2 H 1.882 0.020 2 46 17 17 PRO HG3 H 1.822 0.020 2 47 17 17 PRO CA C 63.321 0.400 1 48 17 17 PRO CB C 31.680 0.400 1 49 17 17 PRO CD C 50.797 0.400 1 50 17 17 PRO CG C 27.154 0.400 1 51 18 18 PHE H H 8.212 0.020 1 52 18 18 PHE HA H 4.589 0.020 1 53 18 18 PHE HB2 H 3.126 0.020 2 54 18 18 PHE HB3 H 3.012 0.020 2 55 18 18 PHE HD1 H 7.208 0.020 1 56 18 18 PHE HD2 H 7.208 0.020 1 57 18 18 PHE HE1 H 7.245 0.020 1 58 18 18 PHE HE2 H 7.245 0.020 1 59 18 18 PHE HZ H 7.645 0.020 1 60 18 18 PHE CA C 57.648 0.400 1 61 18 18 PHE CB C 39.165 0.400 1 62 18 18 PHE CD1 C 131.723 0.400 1 63 18 18 PHE CE1 C 130.480 0.400 1 64 18 18 PHE CZ C 131.763 0.400 1 65 18 18 PHE N N 119.185 0.400 1 66 19 19 GLY H H 8.250 0.020 1 67 19 19 GLY HA2 H 3.943 0.020 2 68 19 19 GLY HA3 H 3.935 0.020 2 69 19 19 GLY CA C 45.100 0.400 1 70 19 19 GLY N N 110.566 0.400 1 71 20 20 GLY H H 7.873 0.020 1 72 20 20 GLY HA2 H 3.964 0.020 2 73 20 20 GLY HA3 H 3.955 0.020 2 74 20 20 GLY CA C 45.056 0.400 1 75 20 20 GLY N N 108.171 0.400 1 76 21 21 SER H H 8.274 0.020 1 77 21 21 SER HA H 4.523 0.020 1 78 21 21 SER HB2 H 3.926 0.020 2 79 21 21 SER HB3 H 3.878 0.020 2 80 21 21 SER CA C 57.951 0.400 1 81 21 21 SER CB C 63.946 0.400 1 82 21 21 SER N N 115.180 0.400 1 83 22 22 LEU H H 8.435 0.020 1 84 22 22 LEU HA H 4.302 0.020 1 85 22 22 LEU HB2 H 1.623 0.020 2 86 22 22 LEU HB3 H 1.576 0.020 2 87 22 22 LEU HD1 H 0.855 0.020 2 88 22 22 LEU HD2 H 0.786 0.020 2 89 22 22 LEU HG H 1.540 0.020 1 90 22 22 LEU CA C 55.846 0.400 1 91 22 22 LEU CB C 42.229 0.400 1 92 22 22 LEU CD1 C 24.730 0.400 1 93 22 22 LEU CD2 C 23.661 0.400 1 94 22 22 LEU CG C 26.291 0.400 1 95 22 22 LEU N N 123.998 0.400 1 96 23 23 ASP H H 8.291 0.020 1 97 23 23 ASP HA H 4.494 0.020 1 98 23 23 ASP HB2 H 2.671 0.020 2 99 23 23 ASP HB3 H 2.599 0.020 2 100 23 23 ASP CA C 54.981 0.400 1 101 23 23 ASP CB C 41.190 0.400 1 102 23 23 ASP N N 120.385 0.400 1 103 24 24 THR H H 8.010 0.020 1 104 24 24 THR HA H 3.770 0.020 1 105 24 24 THR HB H 3.690 0.020 1 106 24 24 THR HG2 H 0.465 0.020 1 107 24 24 THR CA C 64.590 0.400 1 108 24 24 THR CB C 69.620 0.400 1 109 24 24 THR CG2 C 21.036 0.400 1 110 24 24 THR N N 117.799 0.400 1 111 25 25 TRP H H 7.780 0.020 1 112 25 25 TRP HA H 4.012 0.020 1 113 25 25 TRP HB2 H 3.371 0.020 2 114 25 25 TRP HB3 H 2.873 0.020 2 115 25 25 TRP HD1 H 7.304 0.020 1 116 25 25 TRP HE1 H 9.986 0.020 1 117 25 25 TRP HE3 H 7.170 0.020 1 118 25 25 TRP HH2 H 7.272 0.020 1 119 25 25 TRP HZ2 H 7.490 0.020 1 120 25 25 TRP HZ3 H 6.706 0.020 1 121 25 25 TRP CA C 57.837 0.400 1 122 25 25 TRP CB C 28.842 0.400 1 123 25 25 TRP CD1 C 127.360 0.400 1 124 25 25 TRP CE3 C 120.380 0.400 1 125 25 25 TRP CH2 C 123.832 0.400 1 126 25 25 TRP CZ2 C 114.190 0.400 1 127 25 25 TRP CZ3 C 120.789 0.400 1 128 25 25 TRP N N 118.659 0.400 1 129 25 25 TRP NE1 N 127.944 0.400 1 130 26 26 ALA H H 7.101 0.020 1 131 26 26 ALA HA H 3.949 0.020 1 132 26 26 ALA HB H 1.310 0.020 1 133 26 26 ALA CA C 52.102 0.400 1 134 26 26 ALA CB C 18.840 0.400 1 135 26 26 ALA N N 117.054 0.400 1 136 27 27 ILE H H 8.687 0.020 1 137 27 27 ILE HA H 4.332 0.020 1 138 27 27 ILE HB H 1.813 0.020 1 139 27 27 ILE HD1 H 1.116 0.020 1 140 27 27 ILE HG12 H 1.945 0.020 2 141 27 27 ILE HG13 H 0.825 0.020 2 142 27 27 ILE HG2 H 1.116 0.020 1 143 27 27 ILE CA C 61.430 0.400 1 144 27 27 ILE CB C 38.550 0.400 1 145 27 27 ILE CD1 C 14.225 0.400 1 146 27 27 ILE CG1 C 30.205 0.400 1 147 27 27 ILE CG2 C 18.796 0.400 1 148 27 27 ILE N N 125.107 0.400 1 149 28 28 THR H H 8.981 0.020 1 150 28 28 THR HA H 4.760 0.020 1 151 28 28 THR HB H 4.768 0.020 1 152 28 28 THR HG2 H 1.218 0.020 1 153 28 28 THR CA C 60.685 0.400 1 154 28 28 THR CB C 71.252 0.400 1 155 28 28 THR CG2 C 21.440 0.400 1 156 28 28 THR N N 118.938 0.400 1 157 29 29 VAL H H 8.612 0.020 1 158 29 29 VAL HA H 3.532 0.020 1 159 29 29 VAL HB H 2.018 0.020 1 160 29 29 VAL HG1 H 0.947 0.020 2 161 29 29 VAL HG2 H 0.927 0.020 2 162 29 29 VAL CA C 66.349 0.400 1 163 29 29 VAL CB C 31.799 0.400 1 164 29 29 VAL CG1 C 20.665 0.400 1 165 29 29 VAL CG2 C 20.677 0.400 1 166 29 29 VAL N N 119.411 0.400 1 167 30 30 GLU H H 8.432 0.020 1 168 30 30 GLU HA H 4.011 0.020 1 169 30 30 GLU HB2 H 2.009 0.020 2 170 30 30 GLU HB3 H 1.886 0.020 2 171 30 30 GLU HG2 H 2.305 0.020 2 172 30 30 GLU HG3 H 2.270 0.020 2 173 30 30 GLU CA C 59.597 0.400 1 174 30 30 GLU CB C 28.912 0.400 1 175 30 30 GLU CG C 36.777 0.400 1 176 30 30 GLU N N 119.890 0.400 1 177 31 31 GLU H H 7.737 0.020 1 178 31 31 GLU HA H 3.604 0.020 1 179 31 31 GLU HB2 H 1.469 0.020 2 180 31 31 GLU HB3 H 1.466 0.020 2 181 31 31 GLU HG2 H 2.071 0.020 2 182 31 31 GLU HG3 H 2.341 0.020 2 183 31 31 GLU CA C 58.718 0.400 1 184 31 31 GLU CB C 30.666 0.400 1 185 31 31 GLU CG C 37.524 0.400 1 186 31 31 GLU N N 120.821 0.400 1 187 32 32 ARG H H 8.382 0.020 1 188 32 32 ARG HA H 3.998 0.020 1 189 32 32 ARG HB2 H 1.889 0.020 2 190 32 32 ARG HB3 H 1.764 0.020 2 191 32 32 ARG CA C 57.356 0.400 1 192 32 32 ARG CB C 28.870 0.400 1 193 32 32 ARG N N 117.523 0.400 1 194 33 33 ALA H H 7.919 0.020 1 195 33 33 ALA HA H 4.248 0.020 1 196 33 33 ALA HB H 1.458 0.020 1 197 33 33 ALA CA C 55.007 0.400 1 198 33 33 ALA CB C 17.601 0.400 1 199 33 33 ALA N N 119.982 0.400 1 200 34 34 LYS H H 7.212 0.020 1 201 34 34 LYS HA H 4.194 0.020 1 202 34 34 LYS HB2 H 1.980 0.020 2 203 34 34 LYS HB3 H 1.922 0.020 2 204 34 34 LYS HD2 H 1.752 0.020 2 205 34 34 LYS HD3 H 1.743 0.020 2 206 34 34 LYS HE2 H 3.007 0.020 2 207 34 34 LYS HE3 H 3.004 0.020 2 208 34 34 LYS HG2 H 1.578 0.020 2 209 34 34 LYS HG3 H 1.516 0.020 2 210 34 34 LYS CA C 58.852 0.400 1 211 34 34 LYS CB C 31.598 0.400 1 212 34 34 LYS CD C 28.780 0.400 1 213 34 34 LYS CE C 42.087 0.400 1 214 34 34 LYS CG C 24.545 0.400 1 215 34 34 LYS N N 119.567 0.400 1 216 35 35 HIS H H 8.814 0.020 1 217 35 35 HIS HA H 4.923 0.020 1 218 35 35 HIS HB2 H 3.583 0.020 2 219 35 35 HIS HB3 H 3.490 0.020 2 220 35 35 HIS CA C 57.821 0.400 1 221 35 35 HIS CB C 29.950 0.400 1 222 35 35 HIS N N 122.252 0.400 1 223 36 36 ASP H H 9.292 0.020 1 224 36 36 ASP HA H 4.454 0.020 1 225 36 36 ASP HB2 H 2.890 0.020 2 226 36 36 ASP HB3 H 2.650 0.020 2 227 36 36 ASP CA C 57.305 0.400 1 228 36 36 ASP CB C 39.889 0.400 1 229 36 36 ASP N N 118.831 0.400 1 230 37 37 GLN H H 7.673 0.020 1 231 37 37 GLN HA H 4.241 0.020 1 232 37 37 GLN HB2 H 2.371 0.020 2 233 37 37 GLN HB3 H 2.360 0.020 2 234 37 37 GLN HE21 H 7.170 0.020 2 235 37 37 GLN HE22 H 7.070 0.020 2 236 37 37 GLN HG2 H 2.662 0.020 2 237 37 37 GLN HG3 H 2.474 0.020 2 238 37 37 GLN CA C 59.019 0.400 1 239 37 37 GLN CB C 28.315 0.400 1 240 37 37 GLN CG C 33.720 0.400 1 241 37 37 GLN N N 120.072 0.400 1 242 38 38 GLN H H 8.329 0.020 1 243 38 38 GLN HA H 4.040 0.020 1 244 38 38 GLN HB2 H 2.872 0.020 2 245 38 38 GLN HB3 H 2.145 0.020 2 246 38 38 GLN HE21 H 7.276 0.020 2 247 38 38 GLN HE22 H 6.896 0.020 2 248 38 38 GLN HG2 H 2.643 0.020 2 249 38 38 GLN HG3 H 2.578 0.020 2 250 38 38 GLN CA C 58.734 0.400 1 251 38 38 GLN CB C 28.549 0.400 1 252 38 38 GLN CG C 35.038 0.400 1 253 38 38 GLN N N 120.847 0.400 1 254 38 38 GLN NE2 N 109.968 0.400 1 255 39 39 PHE H H 9.453 0.020 1 256 39 39 PHE HA H 2.811 0.020 1 257 39 39 PHE HB2 H 2.983 0.020 2 258 39 39 PHE HB3 H 2.937 0.020 2 259 39 39 PHE HD1 H 6.263 0.020 1 260 39 39 PHE HE1 H 6.793 0.020 1 261 39 39 PHE HZ H 7.130 0.020 1 262 39 39 PHE CA C 61.602 0.400 1 263 39 39 PHE CB C 38.799 0.400 1 264 39 39 PHE CD1 C 130.876 0.400 1 265 39 39 PHE CE1 C 131.308 0.400 1 266 39 39 PHE CZ C 129.110 0.400 1 267 39 39 PHE N N 123.507 0.400 1 268 40 40 HIS H H 8.096 0.020 1 269 40 40 HIS HA H 3.884 0.020 1 270 40 40 HIS HB2 H 3.215 0.020 2 271 40 40 HIS HB3 H 3.207 0.020 2 272 40 40 HIS HD2 H 7.136 0.020 1 273 40 40 HIS CA C 59.910 0.400 1 274 40 40 HIS CB C 29.558 0.400 1 275 40 40 HIS CD2 C 120.385 0.400 1 276 40 40 HIS N N 114.319 0.400 1 277 41 41 SER H H 7.818 0.020 1 278 41 41 SER HA H 4.300 0.020 1 279 41 41 SER HB2 H 4.038 0.020 2 280 41 41 SER HB3 H 4.011 0.020 2 281 41 41 SER CA C 60.851 0.400 1 282 41 41 SER CB C 62.612 0.400 1 283 41 41 SER N N 116.677 0.400 1 284 42 42 LEU H H 7.079 0.020 1 285 42 42 LEU HA H 4.071 0.020 1 286 42 42 LEU HB2 H 1.419 0.020 2 287 42 42 LEU HB3 H 1.114 0.020 2 288 42 42 LEU HD1 H 0.561 0.020 2 289 42 42 LEU HD2 H 0.155 0.020 2 290 42 42 LEU HG H 1.311 0.020 1 291 42 42 LEU CA C 54.685 0.400 1 292 42 42 LEU CB C 40.874 0.400 1 293 42 42 LEU CD1 C 21.931 0.400 1 294 42 42 LEU CD2 C 25.850 0.400 1 295 42 42 LEU CG C 25.843 0.400 1 296 42 42 LEU N N 121.868 0.400 1 297 43 43 LYS H H 7.345 0.020 1 298 43 43 LYS HA H 3.877 0.020 1 299 43 43 LYS HB2 H 1.671 0.020 2 300 43 43 LYS HB3 H 1.614 0.020 2 301 43 43 LYS HD2 H 1.610 0.020 2 302 43 43 LYS HD3 H 1.665 0.020 2 303 43 43 LYS HE2 H 2.977 0.020 2 304 43 43 LYS HE3 H 2.981 0.020 2 305 43 43 LYS HG2 H 1.278 0.020 2 306 43 43 LYS HG3 H 1.258 0.020 2 307 43 43 LYS CA C 56.035 0.400 1 308 43 43 LYS CB C 28.886 0.400 1 309 43 43 LYS CD C 28.546 0.400 1 310 43 43 LYS CE C 42.039 0.400 1 311 43 43 LYS CG C 24.100 0.400 1 312 43 43 LYS N N 110.393 0.400 1 313 44 44 PRO HA H 4.239 0.020 1 314 44 44 PRO HB2 H 1.432 0.020 2 315 44 44 PRO HB3 H 1.219 0.020 2 316 44 44 PRO HD2 H 3.415 0.020 2 317 44 44 PRO HD3 H 3.223 0.020 2 318 44 44 PRO HG2 H 1.669 0.020 2 319 44 44 PRO HG3 H 1.659 0.020 2 320 44 44 PRO CA C 62.424 0.400 1 321 44 44 PRO CB C 32.413 0.400 1 322 44 44 PRO CD C 50.357 0.400 1 323 44 44 PRO CG C 26.724 0.400 1 324 45 45 ILE H H 8.586 0.020 1 325 45 45 ILE HA H 4.337 0.020 1 326 45 45 ILE HB H 1.895 0.020 1 327 45 45 ILE HD1 H 0.905 0.020 1 328 45 45 ILE HG12 H 1.647 0.020 2 329 45 45 ILE HG13 H 1.184 0.020 2 330 45 45 ILE HG2 H 0.971 0.020 1 331 45 45 ILE CA C 60.170 0.400 1 332 45 45 ILE CB C 39.143 0.400 1 333 45 45 ILE CD1 C 12.279 0.400 1 334 45 45 ILE CG1 C 26.725 0.400 1 335 45 45 ILE CG2 C 17.097 0.400 1 336 45 45 ILE N N 120.985 0.400 1 337 46 46 SER H H 9.512 0.020 1 338 46 46 SER HA H 4.055 0.020 1 339 46 46 SER HB2 H 4.340 0.020 2 340 46 46 SER HB3 H 4.052 0.020 2 341 46 46 SER CA C 58.483 0.400 1 342 46 46 SER CB C 62.174 0.400 1 343 46 46 SER N N 124.158 0.400 1 344 47 47 GLY H H 8.555 0.020 1 345 47 47 GLY HA2 H 4.020 0.020 2 346 47 47 GLY HA3 H 3.531 0.020 2 347 47 47 GLY CA C 44.328 0.400 1 348 47 47 GLY N N 162.194 0.400 1 349 48 48 PHE H H 7.710 0.020 1 350 48 48 PHE HA H 5.783 0.020 1 351 48 48 PHE HB2 H 2.955 0.020 2 352 48 48 PHE HB3 H 2.820 0.020 2 353 48 48 PHE HD1 H 7.057 0.020 1 354 48 48 PHE HE1 H 7.414 0.020 1 355 48 48 PHE CA C 56.732 0.400 1 356 48 48 PHE CB C 43.784 0.400 1 357 48 48 PHE CD1 C 132.339 0.400 1 358 48 48 PHE CE1 C 131.284 0.400 1 359 48 48 PHE N N 115.641 0.400 1 360 49 49 ILE H H 9.141 0.020 1 361 49 49 ILE HA H 4.908 0.020 1 362 49 49 ILE HB H 1.821 0.020 1 363 49 49 ILE HD1 H 0.064 0.020 1 364 49 49 ILE HG12 H 1.481 0.020 2 365 49 49 ILE HG13 H 1.222 0.020 2 366 49 49 ILE HG2 H 0.067 0.020 1 367 49 49 ILE CA C 59.368 0.400 1 368 49 49 ILE CB C 39.945 0.400 1 369 49 49 ILE CD1 C 16.207 0.400 1 370 49 49 ILE CG1 C 24.633 0.400 1 371 49 49 ILE CG2 C 16.212 0.400 1 372 49 49 ILE N N 114.692 0.400 1 373 50 50 THR H H 8.700 0.020 1 374 50 50 THR HA H 4.473 0.020 1 375 50 50 THR HB H 4.772 0.020 1 376 50 50 THR HG2 H 1.374 0.020 1 377 50 50 THR CA C 60.914 0.400 1 378 50 50 THR CB C 70.829 0.400 1 379 50 50 THR CG2 C 21.440 0.400 1 380 50 50 THR N N 112.658 0.400 1 381 51 51 GLY H H 8.778 0.020 1 382 51 51 GLY HA2 H 3.790 0.020 2 383 51 51 GLY HA3 H 3.713 0.020 2 384 51 51 GLY CA C 48.310 0.400 1 385 51 51 GLY N N 108.204 0.400 1 386 52 52 ASP H H 8.225 0.020 1 387 52 52 ASP HA H 4.216 0.020 1 388 52 52 ASP HB2 H 2.522 0.020 2 389 52 52 ASP HB3 H 2.458 0.020 2 390 52 52 ASP CA C 57.344 0.400 1 391 52 52 ASP CB C 40.304 0.400 1 392 52 52 ASP N N 119.404 0.400 1 393 53 53 GLN H H 7.810 0.020 1 394 53 53 GLN HA H 3.969 0.020 1 395 53 53 GLN HB2 H 2.387 0.020 2 396 53 53 GLN HB3 H 1.744 0.020 2 397 53 53 GLN HE21 H 7.318 0.020 2 398 53 53 GLN HE22 H 6.665 0.020 2 399 53 53 GLN HG2 H 2.508 0.020 2 400 53 53 GLN HG3 H 2.368 0.020 2 401 53 53 GLN CA C 58.673 0.400 1 402 53 53 GLN CB C 29.794 0.400 1 403 53 53 GLN CG C 34.599 0.400 1 404 53 53 GLN N N 118.935 0.400 1 405 53 53 GLN NE2 N 112.104 0.400 1 406 54 54 ALA H H 8.293 0.020 1 407 54 54 ALA HA H 3.642 0.020 1 408 54 54 ALA HB H 1.670 0.020 1 409 54 54 ALA CA C 55.243 0.400 1 410 54 54 ALA CB C 19.448 0.400 1 411 54 54 ALA N N 120.858 0.400 1 412 55 55 ARG H H 8.744 0.020 1 413 55 55 ARG HA H 3.795 0.020 1 414 55 55 ARG HB2 H 1.786 0.020 2 415 55 55 ARG HB3 H 1.620 0.020 2 416 55 55 ARG HD2 H 2.782 0.020 2 417 55 55 ARG HD3 H 2.773 0.020 2 418 55 55 ARG HG2 H 1.525 0.020 2 419 55 55 ARG HG3 H 1.437 0.020 2 420 55 55 ARG CA C 60.628 0.400 1 421 55 55 ARG CB C 30.224 0.400 1 422 55 55 ARG CD C 43.399 0.400 1 423 55 55 ARG CG C 29.342 0.400 1 424 55 55 ARG N N 115.211 0.400 1 425 56 56 ASN H H 8.056 0.020 1 426 56 56 ASN HA H 4.470 0.020 1 427 56 56 ASN HB2 H 2.900 0.020 2 428 56 56 ASN HB3 H 2.769 0.020 2 429 56 56 ASN HD21 H 7.611 0.020 2 430 56 56 ASN HD22 H 6.853 0.020 2 431 56 56 ASN CA C 56.091 0.400 1 432 56 56 ASN CB C 38.069 0.400 1 433 56 56 ASN N N 116.543 0.400 1 434 56 56 ASN ND2 N 112.778 0.400 1 435 57 57 PHE H H 7.567 0.020 1 436 57 57 PHE HA H 4.517 0.020 1 437 57 57 PHE HB2 H 3.252 0.020 2 438 57 57 PHE HB3 H 3.109 0.020 2 439 57 57 PHE HD1 H 7.402 0.020 1 440 57 57 PHE HE1 H 7.630 0.020 1 441 57 57 PHE CA C 61.373 0.400 1 442 57 57 PHE CB C 39.518 0.400 1 443 57 57 PHE CD1 C 132.160 0.400 1 444 57 57 PHE CE1 C 132.111 0.400 1 445 57 57 PHE N N 121.111 0.400 1 446 58 58 PHE H H 8.995 0.020 1 447 58 58 PHE HA H 4.501 0.020 1 448 58 58 PHE HB2 H 3.382 0.020 2 449 58 58 PHE HB3 H 3.288 0.020 2 450 58 58 PHE HD1 H 7.240 0.020 1 451 58 58 PHE CA C 57.190 0.400 1 452 58 58 PHE CB C 37.236 0.400 1 453 58 58 PHE CD1 C 130.429 0.400 1 454 58 58 PHE N N 119.594 0.400 1 455 59 59 PHE H H 8.510 0.020 1 456 59 59 PHE HA H 4.296 0.020 1 457 59 59 PHE HB2 H 3.403 0.020 2 458 59 59 PHE HB3 H 3.269 0.020 2 459 59 59 PHE HD1 H 7.274 0.020 1 460 59 59 PHE CA C 60.456 0.400 1 461 59 59 PHE CB C 38.914 0.400 1 462 59 59 PHE CD1 C 131.735 0.400 1 463 59 59 PHE N N 120.834 0.400 1 464 60 60 GLN H H 7.652 0.020 1 465 60 60 GLN HA H 4.056 0.020 1 466 60 60 GLN HB2 H 2.239 0.020 2 467 60 60 GLN HB3 H 2.015 0.020 2 468 60 60 GLN HE21 H 7.480 0.020 2 469 60 60 GLN HE22 H 6.893 0.020 2 470 60 60 GLN HG2 H 2.666 0.020 2 471 60 60 GLN HG3 H 2.560 0.020 2 472 60 60 GLN CA C 57.133 0.400 1 473 60 60 GLN CB C 27.771 0.400 1 474 60 60 GLN CG C 33.720 0.400 1 475 60 60 GLN N N 116.464 0.400 1 476 60 60 GLN NE2 N 111.531 0.400 1 477 61 61 SER H H 7.823 0.020 1 478 61 61 SER HA H 3.985 0.020 1 479 61 61 SER HB2 H 3.973 0.020 2 480 61 61 SER HB3 H 3.741 0.020 2 481 61 61 SER CA C 60.571 0.400 1 482 61 61 SER CB C 65.277 0.400 1 483 61 61 SER N N 113.448 0.400 1 484 62 62 GLY H H 7.478 0.020 1 485 62 62 GLY HA2 H 4.115 0.020 2 486 62 62 GLY HA3 H 3.699 0.020 2 487 62 62 GLY CA C 45.445 0.400 1 488 62 62 GLY N N 108.189 0.400 1 489 63 63 LEU H H 7.282 0.020 1 490 63 63 LEU HA H 4.471 0.020 1 491 63 63 LEU HB2 H 1.517 0.020 2 492 63 63 LEU HB3 H 1.095 0.020 2 493 63 63 LEU HD1 H 0.874 0.020 2 494 63 63 LEU HD2 H 0.902 0.020 2 495 63 63 LEU HG H 1.517 0.020 1 496 63 63 LEU CA C 52.971 0.400 1 497 63 63 LEU CB C 41.597 0.400 1 498 63 63 LEU CD1 C 26.296 0.400 1 499 63 63 LEU CD2 C 23.644 0.400 1 500 63 63 LEU CG C 27.151 0.400 1 501 63 63 LEU N N 120.356 0.400 1 502 64 64 PRO HA H 4.559 0.020 1 503 64 64 PRO HB2 H 2.583 0.020 2 504 64 64 PRO HB3 H 1.905 0.020 2 505 64 64 PRO HD2 H 3.985 0.020 2 506 64 64 PRO HD3 H 3.327 0.020 2 507 64 64 PRO HG2 H 2.167 0.020 2 508 64 64 PRO HG3 H 2.137 0.020 2 509 64 64 PRO CA C 63.039 0.400 1 510 64 64 PRO CB C 33.402 0.400 1 511 64 64 PRO CD C 50.356 0.400 1 512 64 64 PRO CG C 27.922 0.400 1 513 65 65 GLN H H 9.289 0.020 1 514 65 65 GLN HA H 4.194 0.020 1 515 65 65 GLN HB2 H 2.292 0.020 2 516 65 65 GLN HB3 H 2.287 0.020 2 517 65 65 GLN HG2 H 2.581 0.020 2 518 65 65 GLN HG3 H 2.300 0.020 2 519 65 65 GLN CA C 61.180 0.400 1 520 65 65 GLN CB C 25.845 0.400 1 521 65 65 GLN CG C 33.290 0.400 1 522 65 65 GLN N N 122.729 0.400 1 523 66 66 PRO HA H 4.399 0.020 1 524 66 66 PRO HB2 H 2.403 0.020 2 525 66 66 PRO HB3 H 1.912 0.020 2 526 66 66 PRO HD2 H 3.883 0.020 2 527 66 66 PRO HD3 H 3.686 0.020 2 528 66 66 PRO HG2 H 2.120 0.020 2 529 66 66 PRO HG3 H 2.051 0.020 2 530 66 66 PRO CA C 65.956 0.400 1 531 66 66 PRO CB C 30.665 0.400 1 532 66 66 PRO CD C 50.343 0.400 1 533 66 66 PRO CG C 28.474 0.400 1 534 67 67 VAL H H 6.875 0.020 1 535 67 67 VAL HA H 3.930 0.020 1 536 67 67 VAL HB H 2.233 0.020 1 537 67 67 VAL HG1 H 1.132 0.020 2 538 67 67 VAL HG2 H 1.007 0.020 2 539 67 67 VAL CA C 64.811 0.400 1 540 67 67 VAL CB C 31.581 0.400 1 541 67 67 VAL CG1 C 22.350 0.400 1 542 67 67 VAL CG2 C 22.364 0.400 1 543 67 67 VAL N N 117.350 0.400 1 544 68 68 LEU H H 7.965 0.020 1 545 68 68 LEU HA H 3.955 0.020 1 546 68 68 LEU HB2 H 1.999 0.020 2 547 68 68 LEU HB3 H 1.552 0.020 2 548 68 68 LEU HD1 H 0.875 0.020 2 549 68 68 LEU HD2 H 0.760 0.020 2 550 68 68 LEU HG H 1.539 0.020 1 551 68 68 LEU CA C 57.878 0.400 1 552 68 68 LEU CB C 40.821 0.400 1 553 68 68 LEU CD1 C 26.301 0.400 1 554 68 68 LEU CD2 C 23.055 0.400 1 555 68 68 LEU CG C 26.287 0.400 1 556 68 68 LEU N N 119.980 0.400 1 557 69 69 ALA H H 8.577 0.020 1 558 69 69 ALA HA H 4.375 0.020 1 559 69 69 ALA HB H 1.559 0.020 1 560 69 69 ALA CA C 55.128 0.400 1 561 69 69 ALA CB C 17.533 0.400 1 562 69 69 ALA N N 122.731 0.400 1 563 70 70 GLN H H 7.534 0.020 1 564 70 70 GLN HA H 4.190 0.020 1 565 70 70 GLN HB2 H 2.310 0.020 2 566 70 70 GLN HB3 H 2.188 0.020 2 567 70 70 GLN HE21 H 7.297 0.020 2 568 70 70 GLN HE22 H 6.695 0.020 2 569 70 70 GLN HG2 H 2.579 0.020 2 570 70 70 GLN HG3 H 2.299 0.020 2 571 70 70 GLN CA C 58.623 0.400 1 572 70 70 GLN CB C 28.349 0.400 1 573 70 70 GLN CG C 33.627 0.400 1 574 70 70 GLN N N 120.846 0.400 1 575 70 70 GLN NE2 N 110.223 0.400 1 576 71 71 ILE H H 8.170 0.020 1 577 71 71 ILE HA H 3.455 0.020 1 578 71 71 ILE HB H 1.845 0.020 1 579 71 71 ILE HD1 H 0.601 0.020 1 580 71 71 ILE HG12 H 0.779 0.020 2 581 71 71 ILE HG13 H 0.778 0.020 2 582 71 71 ILE HG2 H 0.621 0.020 1 583 71 71 ILE CA C 66.530 0.400 1 584 71 71 ILE CB C 37.768 0.400 1 585 71 71 ILE CD1 C 14.026 0.400 1 586 71 71 ILE CG1 C 31.098 0.400 1 587 71 71 ILE CG2 C 15.779 0.400 1 588 71 71 ILE N N 120.351 0.400 1 589 72 72 TRP H H 8.473 0.020 1 590 72 72 TRP HA H 3.845 0.020 1 591 72 72 TRP HB2 H 3.568 0.020 2 592 72 72 TRP HB3 H 3.419 0.020 2 593 72 72 TRP HD1 H 7.302 0.020 1 594 72 72 TRP HE1 H 10.360 0.020 1 595 72 72 TRP HE3 H 7.252 0.020 1 596 72 72 TRP HH2 H 6.739 0.020 1 597 72 72 TRP HZ2 H 7.204 0.020 1 598 72 72 TRP HZ3 H 7.350 0.020 1 599 72 72 TRP CA C 61.144 0.400 1 600 72 72 TRP CB C 28.496 0.400 1 601 72 72 TRP CD1 C 128.239 0.400 1 602 72 72 TRP CE3 C 121.195 0.400 1 603 72 72 TRP CH2 C 122.996 0.400 1 604 72 72 TRP CZ2 C 114.190 0.400 1 605 72 72 TRP CZ3 C 121.570 0.400 1 606 72 72 TRP N N 119.417 0.400 1 607 72 72 TRP NE1 N 130.312 0.400 1 608 73 73 ALA H H 7.647 0.020 1 609 73 73 ALA HA H 4.012 0.020 1 610 73 73 ALA HB H 1.537 0.020 1 611 73 73 ALA CA C 54.154 0.400 1 612 73 73 ALA CB C 18.059 0.400 1 613 73 73 ALA N N 116.148 0.400 1 614 74 74 LEU H H 7.493 0.020 1 615 74 74 LEU HA H 3.947 0.020 1 616 74 74 LEU HB2 H 1.846 0.020 2 617 74 74 LEU HB3 H 1.044 0.020 2 618 74 74 LEU HD1 H 0.886 0.020 2 619 74 74 LEU HD2 H 0.591 0.020 2 620 74 74 LEU HG H 1.786 0.020 1 621 74 74 LEU CA C 56.478 0.400 1 622 74 74 LEU CB C 43.726 0.400 1 623 74 74 LEU CD1 C 26.292 0.400 1 624 74 74 LEU CD2 C 22.354 0.400 1 625 74 74 LEU CG C 26.725 0.400 1 626 74 74 LEU N N 115.647 0.400 1 627 75 75 ALA H H 7.952 0.020 1 628 75 75 ALA HA H 4.019 0.020 1 629 75 75 ALA HB H 1.179 0.020 1 630 75 75 ALA CA C 53.982 0.400 1 631 75 75 ALA CB C 19.913 0.400 1 632 75 75 ALA N N 118.000 0.400 1 633 76 76 ASP H H 7.798 0.020 1 634 76 76 ASP HA H 4.587 0.020 1 635 76 76 ASP HB2 H 2.321 0.020 2 636 76 76 ASP HB3 H 1.018 0.020 2 637 76 76 ASP CA C 51.849 0.400 1 638 76 76 ASP CB C 36.265 0.400 1 639 76 76 ASP N N 114.297 0.400 1 640 77 77 MET H H 8.077 0.020 1 641 77 77 MET HA H 3.867 0.020 1 642 77 77 MET HB2 H 2.220 0.020 2 643 77 77 MET HB3 H 1.999 0.020 2 644 77 77 MET HE H 2.116 0.020 1 645 77 77 MET HG2 H 2.751 0.020 2 646 77 77 MET HG3 H 2.550 0.020 2 647 77 77 MET CA C 59.024 0.400 1 648 77 77 MET CB C 34.550 0.400 1 649 77 77 MET CE C 17.079 0.400 1 650 77 77 MET CG C 31.361 0.400 1 651 77 77 MET N N 123.959 0.400 1 652 78 78 ASN H H 7.801 0.020 1 653 78 78 ASN HA H 4.839 0.020 1 654 78 78 ASN HB2 H 3.316 0.020 2 655 78 78 ASN HB3 H 2.779 0.020 2 656 78 78 ASN HD21 H 8.053 0.020 2 657 78 78 ASN HD22 H 6.559 0.020 2 658 78 78 ASN CA C 50.889 0.400 1 659 78 78 ASN CB C 37.028 0.400 1 660 78 78 ASN N N 112.247 0.400 1 661 78 78 ASN ND2 N 112.782 0.400 1 662 79 79 ASN H H 8.019 0.020 1 663 79 79 ASN HA H 4.380 0.020 1 664 79 79 ASN HB2 H 3.094 0.020 2 665 79 79 ASN HB3 H 2.580 0.020 2 666 79 79 ASN HD21 H 7.507 0.020 2 667 79 79 ASN HD22 H 6.724 0.020 2 668 79 79 ASN CA C 54.319 0.400 1 669 79 79 ASN CB C 37.867 0.400 1 670 79 79 ASN N N 116.050 0.400 1 671 79 79 ASN ND2 N 111.364 0.400 1 672 80 80 ASP H H 8.019 0.020 1 673 80 80 ASP HA H 4.784 0.020 1 674 80 80 ASP HB2 H 3.070 0.020 2 675 80 80 ASP HB3 H 2.382 0.020 2 676 80 80 ASP CA C 52.672 0.400 1 677 80 80 ASP CB C 41.585 0.400 1 678 80 80 ASP N N 115.620 0.400 1 679 81 81 GLY H H 10.345 0.020 1 680 81 81 GLY HA2 H 4.339 0.020 2 681 81 81 GLY HA3 H 4.044 0.020 2 682 81 81 GLY CA C 46.560 0.400 1 683 81 81 GLY N N 112.191 0.400 1 684 82 82 ARG H H 8.365 0.020 1 685 82 82 ARG HA H 5.105 0.020 1 686 82 82 ARG HB2 H 2.071 0.020 2 687 82 82 ARG HB3 H 1.895 0.020 2 688 82 82 ARG HD2 H 2.655 0.020 2 689 82 82 ARG HD3 H 2.301 0.020 2 690 82 82 ARG HG2 H 1.345 0.020 2 691 82 82 ARG HG3 H 1.265 0.020 2 692 82 82 ARG CA C 53.982 0.400 1 693 82 82 ARG CB C 33.303 0.400 1 694 82 82 ARG CD C 43.606 0.400 1 695 82 82 ARG CG C 25.844 0.400 1 696 82 82 ARG N N 117.518 0.400 1 697 83 83 MET H H 9.038 0.020 1 698 83 83 MET HA H 6.142 0.020 1 699 83 83 MET HB2 H 2.537 0.020 2 700 83 83 MET HB3 H 1.961 0.020 2 701 83 83 MET HE H 1.516 0.020 1 702 83 83 MET HG2 H 2.739 0.020 2 703 83 83 MET HG3 H 2.629 0.020 2 704 83 83 MET CA C 55.586 0.400 1 705 83 83 MET CB C 38.610 0.400 1 706 83 83 MET CE C 19.708 0.400 1 707 83 83 MET CG C 33.778 0.400 1 708 83 83 MET N N 120.510 0.400 1 709 84 84 ASP H H 7.586 0.020 1 710 84 84 ASP HA H 5.259 0.020 1 711 84 84 ASP HB2 H 3.049 0.020 2 712 84 84 ASP HB3 H 2.564 0.020 2 713 84 84 ASP CA C 51.182 0.400 1 714 84 84 ASP CB C 42.047 0.400 1 715 84 84 ASP N N 122.321 0.400 1 716 85 85 GLN H H 7.988 0.020 1 717 85 85 GLN HA H 2.609 0.020 1 718 85 85 GLN HB2 H 1.581 0.020 2 719 85 85 GLN HB3 H 1.482 0.020 2 720 85 85 GLN HE21 H 7.060 0.020 2 721 85 85 GLN HE22 H 6.891 0.020 2 722 85 85 GLN HG2 H 1.655 0.020 2 723 85 85 GLN HG3 H 1.530 0.020 2 724 85 85 GLN CA C 58.909 0.400 1 725 85 85 GLN CB C 29.346 0.400 1 726 85 85 GLN CG C 34.601 0.400 1 727 85 85 GLN N N 115.617 0.400 1 728 85 85 GLN NE2 N 110.121 0.400 1 729 86 86 VAL H H 7.357 0.020 1 730 86 86 VAL HA H 3.557 0.020 1 731 86 86 VAL HB H 2.204 0.020 1 732 86 86 VAL HG1 H 0.975 0.020 2 733 86 86 VAL HG2 H 0.983 0.020 2 734 86 86 VAL CA C 66.117 0.400 1 735 86 86 VAL CB C 31.538 0.400 1 736 86 86 VAL CG1 C 20.597 0.400 1 737 86 86 VAL CG2 C 20.596 0.400 1 738 86 86 VAL N N 120.551 0.400 1 739 87 87 GLU H H 8.375 0.020 1 740 87 87 GLU HA H 3.908 0.020 1 741 87 87 GLU HB2 H 2.203 0.020 2 742 87 87 GLU HB3 H 2.195 0.020 2 743 87 87 GLU HG2 H 3.077 0.020 2 744 87 87 GLU HG3 H 2.584 0.020 2 745 87 87 GLU CA C 59.424 0.400 1 746 87 87 GLU CB C 31.466 0.400 1 747 87 87 GLU CG C 37.237 0.400 1 748 87 87 GLU N N 119.417 0.400 1 749 88 88 PHE H H 8.482 0.020 1 750 88 88 PHE HA H 4.427 0.020 1 751 88 88 PHE HB2 H 3.169 0.020 2 752 88 88 PHE HB3 H 2.909 0.020 2 753 88 88 PHE HD1 H 7.468 0.020 1 754 88 88 PHE CA C 62.061 0.400 1 755 88 88 PHE CB C 40.726 0.400 1 756 88 88 PHE CD1 C 132.161 0.400 1 757 88 88 PHE N N 117.094 0.400 1 758 89 89 SER H H 7.490 0.020 1 759 89 89 SER HA H 4.763 0.020 1 760 89 89 SER HB2 H 3.864 0.020 2 761 89 89 SER HB3 H 3.851 0.020 2 762 89 89 SER CA C 59.783 0.400 1 763 89 89 SER CB C 59.544 0.400 1 764 89 89 SER N N 113.424 0.400 1 765 90 90 ILE H H 8.034 0.020 1 766 90 90 ILE HA H 3.506 0.020 1 767 90 90 ILE HB H 2.063 0.020 1 768 90 90 ILE HD1 H 0.878 0.020 1 769 90 90 ILE HG12 H 1.995 0.020 2 770 90 90 ILE HG13 H 0.966 0.020 2 771 90 90 ILE HG2 H 0.848 0.020 1 772 90 90 ILE CA C 66.098 0.400 1 773 90 90 ILE CB C 37.905 0.400 1 774 90 90 ILE CD1 C 14.906 0.400 1 775 90 90 ILE CG1 C 30.214 0.400 1 776 90 90 ILE CG2 C 17.360 0.400 1 777 90 90 ILE N N 118.472 0.400 1 778 91 91 ALA H H 8.197 0.020 1 779 91 91 ALA HA H 4.286 0.020 1 780 91 91 ALA HB H 1.362 0.020 1 781 91 91 ALA CA C 52.435 0.400 1 782 91 91 ALA CB C 19.091 0.400 1 783 91 91 ALA N N 119.275 0.400 1 784 92 92 MET H H 8.183 0.020 1 785 92 92 MET HA H 4.268 0.020 1 786 92 92 MET HB2 H 1.912 0.020 2 787 92 92 MET HB3 H 1.887 0.020 2 788 92 92 MET HG2 H 2.440 0.020 2 789 92 92 MET HG3 H 2.410 0.020 2 790 92 92 MET CA C 55.643 0.400 1 791 92 92 MET CB C 29.521 0.400 1 792 92 92 MET CG C 32.070 0.400 1 793 92 92 MET N N 118.681 0.400 1 794 93 93 LYS H H 8.172 0.020 1 795 93 93 LYS HA H 4.006 0.020 1 796 93 93 LYS HB2 H 1.790 0.020 2 797 93 93 LYS HB3 H 1.780 0.020 2 798 93 93 LYS CA C 56.840 0.400 1 799 93 93 LYS CB C 32.830 0.400 1 800 93 93 LYS N N 120.362 0.400 1 801 94 94 LEU H H 8.017 0.020 1 802 94 94 LEU HA H 3.884 0.020 1 803 94 94 LEU HB2 H 2.128 0.020 2 804 94 94 LEU HB3 H 1.066 0.020 2 805 94 94 LEU HD1 H 0.842 0.020 2 806 94 94 LEU HD2 H 0.844 0.020 2 807 94 94 LEU HG H 0.871 0.020 1 808 94 94 LEU CA C 58.234 0.400 1 809 94 94 LEU CB C 42.050 0.400 1 810 94 94 LEU CD1 C 22.569 0.400 1 811 94 94 LEU CD2 C 22.564 0.400 1 812 94 94 LEU CG C 26.770 0.400 1 813 94 94 LEU N N 114.192 0.400 1 814 95 95 ILE H H 8.377 0.020 1 815 95 95 ILE HA H 3.254 0.020 1 816 95 95 ILE HB H 1.840 0.020 1 817 95 95 ILE HD1 H 0.460 0.020 1 818 95 95 ILE HG12 H 0.555 0.020 2 819 95 95 ILE HG13 H 0.553 0.020 2 820 95 95 ILE HG2 H 0.861 0.020 1 821 95 95 ILE CA C 66.013 0.400 1 822 95 95 ILE CB C 38.284 0.400 1 823 95 95 ILE CD1 C 13.588 0.400 1 824 95 95 ILE CG1 C 31.095 0.400 1 825 95 95 ILE CG2 C 16.651 0.400 1 826 95 95 ILE N N 118.949 0.400 1 827 96 96 LYS H H 7.751 0.020 1 828 96 96 LYS HA H 3.928 0.020 1 829 96 96 LYS HB2 H 2.085 0.020 2 830 96 96 LYS HB3 H 2.056 0.020 2 831 96 96 LYS HD2 H 1.652 0.020 2 832 96 96 LYS HD3 H 1.641 0.020 2 833 96 96 LYS HE2 H 2.968 0.020 2 834 96 96 LYS HE3 H 2.946 0.020 2 835 96 96 LYS HG2 H 1.494 0.020 2 836 96 96 LYS HG3 H 1.245 0.020 2 837 96 96 LYS CA C 59.701 0.400 1 838 96 96 LYS CB C 32.286 0.400 1 839 96 96 LYS CD C 28.780 0.400 1 840 96 96 LYS CE C 42.045 0.400 1 841 96 96 LYS CG C 24.539 0.400 1 842 96 96 LYS N N 119.637 0.400 1 843 97 97 LEU H H 8.382 0.020 1 844 97 97 LEU HA H 4.006 0.020 1 845 97 97 LEU HB2 H 1.613 0.020 2 846 97 97 LEU HB3 H 0.783 0.020 2 847 97 97 LEU HD1 H 0.023 0.020 2 848 97 97 LEU HD2 H -0.016 0.020 2 849 97 97 LEU HG H 1.432 0.020 1 850 97 97 LEU CA C 57.363 0.400 1 851 97 97 LEU CB C 40.459 0.400 1 852 97 97 LEU CD1 C 21.910 0.400 1 853 97 97 LEU CD2 C 26.285 0.400 1 854 97 97 LEU CG C 26.295 0.400 1 855 97 97 LEU N N 117.727 0.400 1 856 98 98 LYS H H 8.761 0.020 1 857 98 98 LYS HA H 4.548 0.020 1 858 98 98 LYS HB2 H 2.129 0.020 2 859 98 98 LYS HB3 H 1.828 0.020 2 860 98 98 LYS HD2 H 1.540 0.020 2 861 98 98 LYS HD3 H 1.528 0.020 2 862 98 98 LYS HE2 H 3.076 0.020 2 863 98 98 LYS HE3 H 3.024 0.020 2 864 98 98 LYS HG2 H 1.305 0.020 2 865 98 98 LYS HG3 H 1.292 0.020 2 866 98 98 LYS CA C 57.477 0.400 1 867 98 98 LYS CB C 31.294 0.400 1 868 98 98 LYS CD C 24.971 0.400 1 869 98 98 LYS CE C 42.376 0.400 1 870 98 98 LYS CG C 24.922 0.400 1 871 98 98 LYS N N 122.255 0.400 1 872 99 99 LEU H H 8.798 0.020 1 873 99 99 LEU HA H 4.100 0.020 1 874 99 99 LEU HB2 H 2.162 0.020 2 875 99 99 LEU HB3 H 1.461 0.020 2 876 99 99 LEU HD1 H 0.906 0.020 2 877 99 99 LEU HD2 H 0.903 0.020 2 878 99 99 LEU HG H 1.792 0.020 1 879 99 99 LEU CA C 57.878 0.400 1 880 99 99 LEU CB C 41.605 0.400 1 881 99 99 LEU CD1 C 22.695 0.400 1 882 99 99 LEU CD2 C 22.648 0.400 1 883 99 99 LEU CG C 27.161 0.400 1 884 99 99 LEU N N 122.214 0.400 1 885 100 100 GLN H H 7.749 0.020 1 886 100 100 GLN HA H 4.285 0.020 1 887 100 100 GLN HB2 H 2.388 0.020 2 888 100 100 GLN HB3 H 2.373 0.020 2 889 100 100 GLN HE21 H 7.619 0.020 2 890 100 100 GLN HE22 H 7.576 0.020 2 891 100 100 GLN HG2 H 2.689 0.020 2 892 100 100 GLN HG3 H 2.374 0.020 2 893 100 100 GLN CA C 56.503 0.400 1 894 100 100 GLN CB C 29.576 0.400 1 895 100 100 GLN CG C 34.557 0.400 1 896 100 100 GLN N N 116.914 0.400 1 897 101 101 GLY H H 7.910 0.020 1 898 101 101 GLY HA2 H 4.262 0.020 2 899 101 101 GLY HA3 H 3.661 0.020 2 900 101 101 GLY CA C 44.884 0.400 1 901 101 101 GLY N N 106.044 0.400 1 902 102 102 TYR H H 8.078 0.020 1 903 102 102 TYR HA H 4.311 0.020 1 904 102 102 TYR HB2 H 2.960 0.020 2 905 102 102 TYR HB3 H 2.441 0.020 2 906 102 102 TYR HD1 H 7.297 0.020 1 907 102 102 TYR HD2 H 7.297 0.020 1 908 102 102 TYR HE1 H 6.697 0.020 1 909 102 102 TYR HE2 H 6.697 0.020 1 910 102 102 TYR CA C 59.253 0.400 1 911 102 102 TYR CB C 37.849 0.400 1 912 102 102 TYR CD1 C 133.054 0.400 1 913 102 102 TYR CE1 C 117.810 0.400 1 914 102 102 TYR N N 120.876 0.400 1 915 103 103 GLN H H 8.610 0.020 1 916 103 103 GLN HA H 4.280 0.020 1 917 103 103 GLN HB2 H 2.050 0.020 2 918 103 103 GLN HB3 H 2.035 0.020 2 919 103 103 GLN CA C 56.620 0.400 1 920 103 103 GLN CB C 29.100 0.400 1 921 103 103 GLN N N 119.785 0.400 1 922 105 105 PRO HA H 4.631 0.020 1 923 105 105 PRO HB2 H 2.176 0.020 2 924 105 105 PRO HB3 H 1.924 0.020 2 925 105 105 PRO HD2 H 3.640 0.020 2 926 105 105 PRO HD3 H 3.630 0.020 2 927 105 105 PRO HG2 H 1.929 0.020 2 928 105 105 PRO HG3 H 1.920 0.020 2 929 105 105 PRO CA C 61.602 0.400 1 930 105 105 PRO CB C 31.690 0.400 1 931 105 105 PRO CD C 50.280 0.400 1 932 105 105 PRO CG C 27.140 0.400 1 933 106 106 SER H H 8.485 0.020 1 934 106 106 SER HA H 4.183 0.020 1 935 106 106 SER HB2 H 3.882 0.020 2 936 106 106 SER HB3 H 3.850 0.020 2 937 106 106 SER CA C 59.525 0.400 1 938 106 106 SER CB C 63.078 0.400 1 939 106 106 SER N N 112.361 0.400 1 940 107 107 ALA H H 7.410 0.020 1 941 107 107 ALA HA H 4.308 0.020 1 942 107 107 ALA HB H 1.204 0.020 1 943 107 107 ALA CA C 50.086 0.400 1 944 107 107 ALA CB C 21.253 0.400 1 945 107 107 ALA N N 121.311 0.400 1 946 108 108 LEU H H 8.915 0.020 1 947 108 108 LEU HA H 4.020 0.020 1 948 108 108 LEU HB2 H 1.479 0.020 2 949 108 108 LEU HB3 H 1.392 0.020 2 950 108 108 LEU HD1 H 0.924 0.020 2 951 108 108 LEU HD2 H 0.862 0.020 2 952 108 108 LEU HG H 1.551 0.020 1 953 108 108 LEU CA C 52.990 0.400 1 954 108 108 LEU CB C 42.041 0.400 1 955 108 108 LEU CD1 C 26.513 0.400 1 956 108 108 LEU CD2 C 25.593 0.400 1 957 108 108 LEU CG C 25.951 0.400 1 958 108 108 LEU N N 122.607 0.400 1 959 110 110 PRO HA H 4.024 0.020 1 960 110 110 PRO HB2 H 2.346 0.020 2 961 110 110 PRO HB3 H 1.925 0.020 2 962 110 110 PRO HD2 H 3.879 0.020 2 963 110 110 PRO HD3 H 3.759 0.020 2 964 110 110 PRO HG2 H 2.070 0.020 2 965 110 110 PRO HG3 H 2.005 0.020 2 966 110 110 PRO CA C 65.440 0.400 1 967 110 110 PRO CB C 31.638 0.400 1 968 110 110 PRO CD C 50.280 0.400 1 969 110 110 PRO CG C 27.140 0.400 1 970 111 111 VAL H H 8.118 0.020 1 971 111 111 VAL HA H 3.986 0.020 1 972 111 111 VAL HB H 2.204 0.020 1 973 111 111 VAL HG1 H 1.026 0.020 2 974 111 111 VAL HG2 H 0.861 0.020 2 975 111 111 VAL CA C 63.779 0.400 1 976 111 111 VAL CB C 31.065 0.400 1 977 111 111 VAL CG1 C 21.380 0.400 1 978 111 111 VAL CG2 C 20.145 0.400 1 979 111 111 VAL N N 115.605 0.400 1 980 112 112 MET H H 7.908 0.020 1 981 112 112 MET HA H 4.160 0.020 1 982 112 112 MET HB2 H 2.854 0.020 2 983 112 112 MET HB3 H 2.779 0.020 2 984 112 112 MET HE H 2.312 0.020 1 985 112 112 MET HG2 H 2.256 0.020 2 986 112 112 MET HG3 H 1.983 0.020 2 987 112 112 MET CA C 59.098 0.400 1 988 112 112 MET CB C 34.024 0.400 1 989 112 112 MET CE C 17.971 0.400 1 990 112 112 MET CG C 33.577 0.400 1 991 112 112 MET N N 118.943 0.400 1 992 113 113 LYS H H 7.330 0.020 1 993 113 113 LYS HA H 4.182 0.020 1 994 113 113 LYS HB2 H 1.931 0.020 2 995 113 113 LYS HB3 H 1.748 0.020 2 996 113 113 LYS HD2 H 1.691 0.020 2 997 113 113 LYS HD3 H 1.687 0.020 2 998 113 113 LYS HE2 H 2.915 0.020 2 999 113 113 LYS HE3 H 2.911 0.020 2 1000 113 113 LYS HG2 H 1.338 0.020 2 1001 113 113 LYS HG3 H 1.328 0.020 2 1002 113 113 LYS CA C 55.987 0.400 1 1003 113 113 LYS CB C 32.841 0.400 1 1004 113 113 LYS CD C 29.439 0.400 1 1005 113 113 LYS CE C 42.045 0.400 1 1006 113 113 LYS CG C 25.423 0.400 1 1007 113 113 LYS N N 112.617 0.400 1 1008 114 114 GLN H H 7.114 0.020 1 1009 114 114 GLN HA H 4.309 0.020 1 1010 114 114 GLN HB2 H 2.169 0.020 2 1011 114 114 GLN HB3 H 2.096 0.020 2 1012 114 114 GLN HE21 H 7.454 0.020 2 1013 114 114 GLN HE22 H 6.891 0.020 2 1014 114 114 GLN HG2 H 2.437 0.020 2 1015 114 114 GLN HG3 H 2.433 0.020 2 1016 114 114 GLN CA C 54.956 0.400 1 1017 114 114 GLN CB C 29.241 0.400 1 1018 114 114 GLN CG C 33.720 0.400 1 1019 114 114 GLN N N 117.852 0.400 1 1020 114 114 GLN NE2 N 111.589 0.400 1 1021 115 115 GLN H H 8.556 0.020 1 1022 115 115 GLN HA H 4.501 0.020 1 1023 115 115 GLN HB2 H 2.051 0.020 2 1024 115 115 GLN HB3 H 1.980 0.020 2 1025 115 115 GLN HE21 H 7.609 0.020 2 1026 115 115 GLN HE22 H 6.857 0.020 2 1027 115 115 GLN HG2 H 2.459 0.020 2 1028 115 115 GLN HG3 H 2.450 0.020 2 1029 115 115 GLN CA C 53.858 0.400 1 1030 115 115 GLN CB C 28.234 0.400 1 1031 115 115 GLN CG C 33.293 0.400 1 1032 115 115 GLN N N 123.195 0.400 1 1033 115 115 GLN NE2 N 112.771 0.400 1 1034 116 116 PRO HA H 4.530 0.020 1 1035 116 116 PRO HB2 H 2.104 0.020 2 1036 116 116 PRO HB3 H 1.706 0.020 2 1037 116 116 PRO HD2 H 3.848 0.020 2 1038 116 116 PRO HD3 H 3.602 0.020 2 1039 116 116 PRO HG2 H 1.964 0.020 2 1040 116 116 PRO HG3 H 1.923 0.020 2 1041 116 116 PRO CA C 63.050 0.400 1 1042 116 116 PRO CB C 31.953 0.400 1 1043 116 116 PRO CD C 50.673 0.400 1 1044 116 116 PRO CG C 27.565 0.400 1 1045 117 117 VAL H H 8.345 0.020 1 1046 117 117 VAL HA H 4.167 0.020 1 1047 117 117 VAL HB H 2.030 0.020 1 1048 117 117 VAL HG1 H 0.935 0.020 2 1049 117 117 VAL HG2 H 0.937 0.020 2 1050 117 117 VAL CA C 61.258 0.400 1 1051 117 117 VAL CB C 33.724 0.400 1 1052 117 117 VAL CG1 C 21.029 0.400 1 1053 117 117 VAL CG2 C 21.029 0.400 1 1054 117 117 VAL N N 120.361 0.400 1 1055 118 118 ALA H H 8.470 0.020 1 1056 118 118 ALA HA H 4.452 0.020 1 1057 118 118 ALA HB H 1.370 0.020 1 1058 118 118 ALA CA C 51.678 0.400 1 1059 118 118 ALA CB C 19.260 0.400 1 1060 118 118 ALA N N 128.412 0.400 1 1061 119 119 ILE H H 8.250 0.020 1 1062 119 119 ILE HA H 4.240 0.020 1 1063 119 119 ILE HB H 1.875 0.020 1 1064 119 119 ILE HD1 H 0.846 0.020 1 1065 119 119 ILE HG12 H 1.479 0.020 2 1066 119 119 ILE HG13 H 1.207 0.020 2 1067 119 119 ILE HG2 H 0.930 0.020 1 1068 119 119 ILE CA C 60.743 0.400 1 1069 119 119 ILE CB C 38.914 0.400 1 1070 119 119 ILE CD1 C 12.720 0.400 1 1071 119 119 ILE CG1 C 27.151 0.400 1 1072 119 119 ILE CG2 C 17.533 0.400 1 1073 119 119 ILE N N 120.929 0.400 1 1074 120 120 SER H H 8.413 0.020 1 1075 120 120 SER HA H 4.543 0.020 1 1076 120 120 SER HB2 H 3.868 0.020 2 1077 120 120 SER HB3 H 3.856 0.020 2 1078 120 120 SER CA C 57.878 0.400 1 1079 120 120 SER CB C 63.951 0.400 1 1080 120 120 SER N N 120.494 0.400 1 1081 121 121 SER H H 8.046 0.020 1 1082 121 121 SER HA H 4.510 0.020 1 1083 121 121 SER HB2 H 3.880 0.020 2 1084 121 121 SER HB3 H 3.870 0.020 2 1085 121 121 SER CA C 58.570 0.400 1 1086 121 121 SER CB C 63.800 0.400 1 1087 121 121 SER N N 123.709 0.400 1 stop_ save_