data_10165 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the CBM_21 domain from human protein phosphatase 1, regulatory (inhibitor) subunit 3B ; _BMRB_accession_number 10165 _BMRB_flat_file_name bmr10165.str _Entry_type new _Submission_date 2007-12-28 _Accession_date 2008-01-08 _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 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 917 "13C chemical shifts" 689 "15N chemical shifts" 164 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-23 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the CBM_21 domain from human protein phosphatase 1, regulatory (inhibitor) subunit 3B ; _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 Tomizawa T. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Protein phosphatase 1, regulatory (Inhibitor) subunit 3B' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein phosphatase 1, regulatory (Inhibitor) subunit 3B' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CBM_21 domain, residues 8-156' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; GSSGSSGAESESFVLDFSQP SADYLDFRNRLQADHVCLEN CVLKDKAIAGTVKVQNLAFE KTVKIRMTFDTWKSYTDFPC QYVKDTYAGSDRDTFSFDIS LPEKIQSYERMEFAVYYECN GQTYWDSNRGKNYRIIRAEL KSTQGMTKPHSGPDLG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 GLU 10 SER 11 GLU 12 SER 13 PHE 14 VAL 15 LEU 16 ASP 17 PHE 18 SER 19 GLN 20 PRO 21 SER 22 ALA 23 ASP 24 TYR 25 LEU 26 ASP 27 PHE 28 ARG 29 ASN 30 ARG 31 LEU 32 GLN 33 ALA 34 ASP 35 HIS 36 VAL 37 CYS 38 LEU 39 GLU 40 ASN 41 CYS 42 VAL 43 LEU 44 LYS 45 ASP 46 LYS 47 ALA 48 ILE 49 ALA 50 GLY 51 THR 52 VAL 53 LYS 54 VAL 55 GLN 56 ASN 57 LEU 58 ALA 59 PHE 60 GLU 61 LYS 62 THR 63 VAL 64 LYS 65 ILE 66 ARG 67 MET 68 THR 69 PHE 70 ASP 71 THR 72 TRP 73 LYS 74 SER 75 TYR 76 THR 77 ASP 78 PHE 79 PRO 80 CYS 81 GLN 82 TYR 83 VAL 84 LYS 85 ASP 86 THR 87 TYR 88 ALA 89 GLY 90 SER 91 ASP 92 ARG 93 ASP 94 THR 95 PHE 96 SER 97 PHE 98 ASP 99 ILE 100 SER 101 LEU 102 PRO 103 GLU 104 LYS 105 ILE 106 GLN 107 SER 108 TYR 109 GLU 110 ARG 111 MET 112 GLU 113 PHE 114 ALA 115 VAL 116 TYR 117 TYR 118 GLU 119 CYS 120 ASN 121 GLY 122 GLN 123 THR 124 TYR 125 TRP 126 ASP 127 SER 128 ASN 129 ARG 130 GLY 131 LYS 132 ASN 133 TYR 134 ARG 135 ILE 136 ILE 137 ARG 138 ALA 139 GLU 140 LEU 141 LYS 142 SER 143 THR 144 GLN 145 GLY 146 MET 147 THR 148 LYS 149 PRO 150 HIS 151 SER 152 GLY 153 PRO 154 ASP 155 LEU 156 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2EEF "Solution Structure Of The Cbm_21 Domain From Human Protein Phosphatase 1, Regulatory (Inhibitor) Subunit 3b" 100.00 156 100.00 100.00 1.45e-112 DBJ BAB14811 "unnamed protein product [Homo sapiens]" 95.51 285 99.33 99.33 3.18e-105 DBJ BAG53215 "unnamed protein product [Homo sapiens]" 95.51 285 100.00 100.00 6.26e-106 GB AAH43388 "Protein phosphatase 1, regulatory (inhibitor) subunit 3B [Homo sapiens]" 95.51 285 100.00 100.00 6.26e-106 GB ADQ33125 "protein phosphatase 1, regulatory (inhibitor) subunit 3B [synthetic construct]" 95.51 285 100.00 100.00 6.26e-106 GB AIC57095 "PPP1R3B, partial [synthetic construct]" 95.51 285 100.00 100.00 6.26e-106 GB EAW65572 "protein phosphatase 1, regulatory (inhibitor) subunit 3B [Homo sapiens]" 95.51 285 100.00 100.00 6.26e-106 GB EHH63994 "Protein phosphatase 1 regulatory subunit 4 [Macaca fascicularis]" 95.51 285 97.32 99.33 3.63e-103 REF NP_001188258 "protein phosphatase 1 regulatory subunit 3B [Homo sapiens]" 95.51 285 100.00 100.00 6.26e-106 REF NP_078883 "protein phosphatase 1 regulatory subunit 3B [Homo sapiens]" 95.51 285 100.00 100.00 6.26e-106 REF XP_003902491 "PREDICTED: protein phosphatase 1 regulatory subunit 3B [Papio anubis]" 95.51 285 97.32 99.33 3.63e-103 REF XP_003902492 "PREDICTED: protein phosphatase 1 regulatory subunit 3B [Papio anubis]" 95.51 285 97.32 99.33 3.63e-103 REF XP_004046665 "PREDICTED: protein phosphatase 1 regulatory subunit 3B isoform 1 [Gorilla gorilla gorilla]" 95.51 285 99.33 100.00 5.07e-105 SP Q86XI6 "RecName: Full=Protein phosphatase 1 regulatory subunit 3B; AltName: Full=Hepatic glycogen-targeting protein phosphatase 1 regul" 95.51 285 100.00 100.00 6.26e-106 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P060919-05 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 $entity_1 1.26 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name topspin _Version 1.3 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20060524 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRview _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name kujira _Version 0.9823 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE II' _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Protein phosphatase 1, regulatory (Inhibitor) subunit 3B' _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 6 6 SER CA C 58.655 0.300 1 2 6 6 SER HA H 4.501 0.030 1 3 6 6 SER CB C 63.644 0.300 1 4 6 6 SER HB2 H 3.896 0.030 1 5 6 6 SER HB3 H 3.896 0.030 1 6 6 6 SER C C 175.063 0.300 1 7 7 7 GLY N N 111.113 0.300 1 8 7 7 GLY H H 8.473 0.030 1 9 7 7 GLY CA C 45.373 0.300 1 10 7 7 GLY HA2 H 3.967 0.030 1 11 7 7 GLY HA3 H 3.967 0.030 1 12 7 7 GLY C C 173.934 0.300 1 13 8 8 ALA N N 123.788 0.300 1 14 8 8 ALA H H 8.197 0.030 1 15 8 8 ALA CA C 52.548 0.300 1 16 8 8 ALA HA H 4.342 0.030 1 17 8 8 ALA CB C 19.403 0.300 1 18 8 8 ALA HB H 1.379 0.030 1 19 8 8 ALA C C 177.902 0.300 1 20 9 9 GLU N N 120.004 0.300 1 21 9 9 GLU H H 8.524 0.030 1 22 9 9 GLU CA C 56.763 0.300 1 23 9 9 GLU HA H 4.308 0.030 1 24 9 9 GLU CB C 30.161 0.300 1 25 9 9 GLU HB2 H 2.077 0.030 2 26 9 9 GLU HB3 H 1.951 0.030 2 27 9 9 GLU CG C 36.360 0.300 1 28 9 9 GLU HG2 H 2.283 0.030 1 29 9 9 GLU HG3 H 2.283 0.030 1 30 9 9 GLU C C 176.646 0.300 1 31 10 10 SER N N 116.268 0.300 1 32 10 10 SER H H 8.305 0.030 1 33 10 10 SER CA C 58.426 0.300 1 34 10 10 SER HA H 4.429 0.030 1 35 10 10 SER CB C 63.933 0.300 1 36 10 10 SER HB2 H 3.854 0.030 1 37 10 10 SER HB3 H 3.854 0.030 1 38 10 10 SER C C 174.267 0.300 1 39 11 11 GLU N N 122.435 0.300 1 40 11 11 GLU H H 8.368 0.030 1 41 11 11 GLU CA C 56.233 0.300 1 42 11 11 GLU HA H 4.367 0.030 1 43 11 11 GLU CB C 30.692 0.300 1 44 11 11 GLU HB2 H 1.867 0.030 2 45 11 11 GLU HB3 H 1.999 0.030 2 46 11 11 GLU CG C 36.278 0.300 1 47 11 11 GLU HG2 H 2.206 0.030 1 48 11 11 GLU HG3 H 2.206 0.030 1 49 11 11 GLU C C 175.800 0.300 1 50 12 12 SER N N 116.596 0.300 1 51 12 12 SER H H 8.299 0.030 1 52 12 12 SER CA C 58.355 0.300 1 53 12 12 SER HA H 4.457 0.030 1 54 12 12 SER CB C 64.573 0.300 1 55 12 12 SER HB2 H 3.678 0.030 1 56 12 12 SER HB3 H 3.678 0.030 1 57 12 12 SER C C 173.309 0.300 1 58 13 13 PHE N N 121.293 0.300 1 59 13 13 PHE H H 8.346 0.030 1 60 13 13 PHE CA C 56.851 0.300 1 61 13 13 PHE HA H 5.384 0.030 1 62 13 13 PHE CB C 42.542 0.300 1 63 13 13 PHE HB2 H 2.900 0.030 2 64 13 13 PHE HB3 H 2.704 0.030 2 65 13 13 PHE CD1 C 131.306 0.300 1 66 13 13 PHE HD1 H 7.039 0.030 1 67 13 13 PHE CD2 C 131.306 0.300 1 68 13 13 PHE HD2 H 7.039 0.030 1 69 13 13 PHE CE1 C 131.260 0.300 1 70 13 13 PHE HE1 H 7.193 0.030 1 71 13 13 PHE CE2 C 131.260 0.300 1 72 13 13 PHE HE2 H 7.193 0.030 1 73 13 13 PHE CZ C 129.861 0.300 1 74 13 13 PHE HZ H 7.181 0.030 1 75 13 13 PHE C C 174.500 0.300 1 76 14 14 VAL N N 116.020 0.300 1 77 14 14 VAL H H 9.313 0.030 1 78 14 14 VAL CA C 60.141 0.300 1 79 14 14 VAL HA H 4.455 0.030 1 80 14 14 VAL CB C 36.318 0.300 1 81 14 14 VAL HB H 2.036 0.030 1 82 14 14 VAL CG1 C 21.583 0.300 2 83 14 14 VAL HG1 H 0.876 0.030 1 84 14 14 VAL CG2 C 20.147 0.300 2 85 14 14 VAL HG2 H 0.802 0.030 1 86 14 14 VAL C C 174.668 0.300 1 87 15 15 LEU N N 121.725 0.300 1 88 15 15 LEU H H 8.476 0.030 1 89 15 15 LEU CA C 54.800 0.300 1 90 15 15 LEU HA H 4.403 0.030 1 91 15 15 LEU CB C 39.816 0.300 1 92 15 15 LEU HB2 H 1.575 0.030 2 93 15 15 LEU HB3 H 0.378 0.030 2 94 15 15 LEU CG C 26.131 0.300 1 95 15 15 LEU HG H 1.793 0.030 1 96 15 15 LEU CD1 C 26.139 0.300 2 97 15 15 LEU HD1 H 0.728 0.030 1 98 15 15 LEU CD2 C 23.197 0.300 2 99 15 15 LEU HD2 H 0.908 0.030 1 100 15 15 LEU C C 177.001 0.300 1 101 16 16 ASP N N 126.576 0.300 1 102 16 16 ASP H H 8.766 0.030 1 103 16 16 ASP CA C 52.828 0.300 1 104 16 16 ASP HA H 5.081 0.030 1 105 16 16 ASP CB C 42.268 0.300 1 106 16 16 ASP HB2 H 2.231 0.030 2 107 16 16 ASP HB3 H 2.939 0.030 2 108 16 16 ASP C C 174.640 0.300 1 109 17 17 PHE N N 112.958 0.300 1 110 17 17 PHE H H 6.915 0.030 1 111 17 17 PHE CA C 55.489 0.300 1 112 17 17 PHE HA H 4.938 0.030 1 113 17 17 PHE CB C 39.154 0.300 1 114 17 17 PHE HB2 H 3.669 0.030 2 115 17 17 PHE HB3 H 3.233 0.030 2 116 17 17 PHE CD1 C 133.987 0.300 1 117 17 17 PHE HD1 H 7.446 0.030 1 118 17 17 PHE CD2 C 133.987 0.300 1 119 17 17 PHE HD2 H 7.446 0.030 1 120 17 17 PHE CE1 C 130.899 0.300 1 121 17 17 PHE HE1 H 7.073 0.030 1 122 17 17 PHE CE2 C 130.899 0.300 1 123 17 17 PHE HE2 H 7.073 0.030 1 124 17 17 PHE CZ C 130.025 0.300 1 125 17 17 PHE HZ H 7.313 0.030 1 126 17 17 PHE C C 173.746 0.300 1 127 18 18 SER N N 114.977 0.300 1 128 18 18 SER H H 8.569 0.030 1 129 18 18 SER CA C 57.046 0.300 1 130 18 18 SER HA H 4.670 0.030 1 131 18 18 SER CB C 63.974 0.300 1 132 18 18 SER HB2 H 3.937 0.030 1 133 18 18 SER HB3 H 3.937 0.030 1 134 18 18 SER C C 175.437 0.300 1 135 19 19 GLN N N 123.586 0.300 1 136 19 19 GLN H H 9.033 0.030 1 137 19 19 GLN CA C 54.023 0.300 1 138 19 19 GLN HA H 4.558 0.030 1 139 19 19 GLN CB C 27.994 0.300 1 140 19 19 GLN HB2 H 2.071 0.030 2 141 19 19 GLN HB3 H 2.325 0.030 2 142 19 19 GLN CG C 33.000 0.300 1 143 19 19 GLN HG2 H 2.637 0.030 1 144 19 19 GLN HG3 H 2.637 0.030 1 145 19 19 GLN NE2 N 112.251 0.300 1 146 19 19 GLN HE21 H 7.770 0.030 2 147 19 19 GLN HE22 H 7.039 0.030 2 148 19 19 GLN C C 177.642 0.300 1 149 20 20 PRO CA C 65.836 0.300 1 150 20 20 PRO HA H 4.370 0.030 1 151 20 20 PRO CB C 32.556 0.300 1 152 20 20 PRO HB2 H 2.663 0.030 2 153 20 20 PRO HB3 H 2.520 0.030 2 154 20 20 PRO CG C 29.100 0.300 1 155 20 20 PRO HG2 H 2.372 0.030 1 156 20 20 PRO HG3 H 2.372 0.030 1 157 20 20 PRO CD C 50.943 0.300 1 158 20 20 PRO HD2 H 3.374 0.030 2 159 20 20 PRO HD3 H 4.418 0.030 2 160 20 20 PRO C C 178.374 0.300 1 161 21 21 SER N N 104.386 0.300 1 162 21 21 SER H H 7.216 0.030 1 163 21 21 SER CA C 58.886 0.300 1 164 21 21 SER HA H 3.271 0.030 1 165 21 21 SER CB C 62.401 0.300 1 166 21 21 SER HB2 H 3.505 0.030 2 167 21 21 SER HB3 H 2.914 0.030 2 168 21 21 SER C C 174.423 0.300 1 169 22 22 ALA N N 123.008 0.300 1 170 22 22 ALA H H 7.700 0.030 1 171 22 22 ALA CA C 53.968 0.300 1 172 22 22 ALA HA H 4.198 0.030 1 173 22 22 ALA CB C 18.504 0.300 1 174 22 22 ALA HB H 1.527 0.030 1 175 22 22 ALA C C 177.624 0.300 1 176 23 23 ASP N N 117.789 0.300 1 177 23 23 ASP H H 7.080 0.030 1 178 23 23 ASP CA C 52.151 0.300 1 179 23 23 ASP HA H 4.893 0.030 1 180 23 23 ASP CB C 40.592 0.300 1 181 23 23 ASP HB2 H 2.484 0.030 2 182 23 23 ASP HB3 H 3.282 0.030 2 183 23 23 ASP C C 175.032 0.300 1 184 24 24 TYR N N 123.295 0.300 1 185 24 24 TYR H H 8.217 0.030 1 186 24 24 TYR CA C 61.711 0.300 1 187 24 24 TYR HA H 4.196 0.030 1 188 24 24 TYR CB C 38.456 0.300 1 189 24 24 TYR HB2 H 3.277 0.030 2 190 24 24 TYR HB3 H 3.017 0.030 2 191 24 24 TYR CD1 C 133.370 0.300 1 192 24 24 TYR HD1 H 7.199 0.030 1 193 24 24 TYR CD2 C 133.370 0.300 1 194 24 24 TYR HD2 H 7.199 0.030 1 195 24 24 TYR CE1 C 118.149 0.300 1 196 24 24 TYR HE1 H 6.871 0.030 1 197 24 24 TYR CE2 C 118.149 0.300 1 198 24 24 TYR HE2 H 6.871 0.030 1 199 24 24 TYR C C 177.434 0.300 1 200 25 25 LEU N N 119.429 0.300 1 201 25 25 LEU H H 8.074 0.030 1 202 25 25 LEU CA C 57.691 0.300 1 203 25 25 LEU HA H 3.967 0.030 1 204 25 25 LEU CB C 41.388 0.300 1 205 25 25 LEU HB2 H 1.716 0.030 2 206 25 25 LEU HB3 H 1.594 0.030 2 207 25 25 LEU CG C 27.046 0.300 1 208 25 25 LEU HG H 1.618 0.030 1 209 25 25 LEU CD1 C 23.846 0.300 2 210 25 25 LEU HD1 H 0.916 0.030 1 211 25 25 LEU CD2 C 24.603 0.300 2 212 25 25 LEU HD2 H 0.968 0.030 1 213 25 25 LEU C C 178.768 0.300 1 214 26 26 ASP N N 119.881 0.300 1 215 26 26 ASP H H 7.561 0.030 1 216 26 26 ASP CA C 57.625 0.300 1 217 26 26 ASP HA H 4.367 0.030 1 218 26 26 ASP CB C 42.955 0.300 1 219 26 26 ASP HB2 H 2.656 0.030 2 220 26 26 ASP HB3 H 2.616 0.030 2 221 26 26 ASP C C 177.657 0.300 1 222 27 27 PHE N N 118.946 0.300 1 223 27 27 PHE H H 8.750 0.030 1 224 27 27 PHE CA C 61.323 0.300 1 225 27 27 PHE HA H 4.088 0.030 1 226 27 27 PHE CB C 39.606 0.300 1 227 27 27 PHE HB2 H 3.473 0.030 2 228 27 27 PHE HB3 H 3.009 0.030 2 229 27 27 PHE CD1 C 132.091 0.300 1 230 27 27 PHE HD1 H 7.246 0.030 1 231 27 27 PHE CD2 C 132.091 0.300 1 232 27 27 PHE HD2 H 7.246 0.030 1 233 27 27 PHE CE1 C 128.014 0.300 1 234 27 27 PHE HE1 H 6.962 0.030 1 235 27 27 PHE CE2 C 128.014 0.300 1 236 27 27 PHE HE2 H 6.962 0.030 1 237 27 27 PHE CZ C 131.042 0.300 1 238 27 27 PHE HZ H 7.253 0.030 1 239 27 27 PHE C C 176.662 0.300 1 240 28 28 ARG N N 116.744 0.300 1 241 28 28 ARG H H 8.079 0.030 1 242 28 28 ARG CA C 59.051 0.300 1 243 28 28 ARG HA H 3.590 0.030 1 244 28 28 ARG CB C 29.516 0.300 1 245 28 28 ARG HB2 H 1.790 0.030 1 246 28 28 ARG HB3 H 1.790 0.030 1 247 28 28 ARG CG C 26.863 0.300 1 248 28 28 ARG HG2 H 1.456 0.030 2 249 28 28 ARG HG3 H 1.656 0.030 2 250 28 28 ARG CD C 43.331 0.300 1 251 28 28 ARG HD2 H 3.065 0.030 1 252 28 28 ARG HD3 H 3.065 0.030 1 253 28 28 ARG C C 179.306 0.300 1 254 29 29 ASN N N 119.381 0.300 1 255 29 29 ASN H H 8.106 0.030 1 256 29 29 ASN CA C 55.861 0.300 1 257 29 29 ASN HA H 4.361 0.030 1 258 29 29 ASN CB C 37.622 0.300 1 259 29 29 ASN HB2 H 3.062 0.030 2 260 29 29 ASN HB3 H 2.813 0.030 2 261 29 29 ASN ND2 N 111.573 0.300 1 262 29 29 ASN HD21 H 7.709 0.030 2 263 29 29 ASN HD22 H 6.770 0.030 2 264 29 29 ASN C C 178.555 0.300 1 265 30 30 ARG N N 123.244 0.300 1 266 30 30 ARG H H 8.640 0.030 1 267 30 30 ARG CA C 59.708 0.300 1 268 30 30 ARG HA H 3.912 0.030 1 269 30 30 ARG CB C 30.910 0.300 1 270 30 30 ARG HB2 H 1.816 0.030 2 271 30 30 ARG HB3 H 2.224 0.030 2 272 30 30 ARG CG C 27.502 0.300 1 273 30 30 ARG HG2 H 1.648 0.030 2 274 30 30 ARG HG3 H 1.903 0.030 2 275 30 30 ARG CD C 45.058 0.300 1 276 30 30 ARG HD2 H 3.330 0.030 2 277 30 30 ARG HD3 H 2.983 0.030 2 278 30 30 ARG NE N 85.526 0.300 1 279 30 30 ARG HE H 7.758 0.030 1 280 30 30 ARG C C 178.651 0.300 1 281 31 31 LEU N N 119.911 0.300 1 282 31 31 LEU H H 7.988 0.030 1 283 31 31 LEU CA C 58.049 0.300 1 284 31 31 LEU HA H 3.409 0.030 1 285 31 31 LEU CB C 41.342 0.300 1 286 31 31 LEU HB2 H 1.135 0.030 2 287 31 31 LEU HB3 H 1.205 0.030 2 288 31 31 LEU CG C 26.755 0.300 1 289 31 31 LEU HG H 1.010 0.030 1 290 31 31 LEU CD1 C 24.434 0.300 2 291 31 31 LEU HD1 H 0.312 0.030 1 292 31 31 LEU CD2 C 24.466 0.300 2 293 31 31 LEU HD2 H 0.199 0.030 1 294 31 31 LEU C C 178.698 0.300 1 295 32 32 GLN N N 114.904 0.300 1 296 32 32 GLN H H 7.416 0.030 1 297 32 32 GLN CA C 58.019 0.300 1 298 32 32 GLN HA H 3.891 0.030 1 299 32 32 GLN CB C 28.679 0.300 1 300 32 32 GLN HB2 H 2.039 0.030 1 301 32 32 GLN HB3 H 2.039 0.030 1 302 32 32 GLN CG C 33.865 0.300 1 303 32 32 GLN HG2 H 2.316 0.030 2 304 32 32 GLN HG3 H 2.420 0.030 2 305 32 32 GLN NE2 N 111.557 0.300 1 306 32 32 GLN HE21 H 7.395 0.030 2 307 32 32 GLN HE22 H 6.836 0.030 2 308 32 32 GLN C C 176.457 0.300 1 309 33 33 ALA N N 119.088 0.300 1 310 33 33 ALA H H 7.791 0.030 1 311 33 33 ALA CA C 54.057 0.300 1 312 33 33 ALA HA H 4.099 0.030 1 313 33 33 ALA CB C 19.921 0.300 1 314 33 33 ALA HB H 1.356 0.030 1 315 33 33 ALA C C 178.303 0.300 1 316 34 34 ASP N N 115.377 0.300 1 317 34 34 ASP H H 8.662 0.030 1 318 34 34 ASP CA C 55.153 0.300 1 319 34 34 ASP HA H 4.698 0.030 1 320 34 34 ASP CB C 41.976 0.300 1 321 34 34 ASP HB2 H 3.097 0.030 2 322 34 34 ASP HB3 H 2.926 0.030 2 323 34 34 ASP C C 177.531 0.300 1 324 35 35 HIS N N 108.110 0.300 1 325 35 35 HIS H H 7.018 0.030 1 326 35 35 HIS CA C 58.336 0.300 1 327 35 35 HIS HA H 4.543 0.030 1 328 35 35 HIS CB C 26.472 0.300 1 329 35 35 HIS HB2 H 3.370 0.030 2 330 35 35 HIS HB3 H 2.983 0.030 2 331 35 35 HIS CD2 C 121.886 0.300 1 332 35 35 HIS HD2 H 6.300 0.030 1 333 35 35 HIS CE1 C 137.246 0.300 1 334 35 35 HIS HE1 H 8.318 0.030 1 335 35 35 HIS C C 171.507 0.300 1 336 36 36 VAL N N 115.529 0.300 1 337 36 36 VAL H H 7.065 0.030 1 338 36 36 VAL CA C 58.549 0.300 1 339 36 36 VAL HA H 4.867 0.030 1 340 36 36 VAL CB C 33.135 0.300 1 341 36 36 VAL HB H 2.201 0.030 1 342 36 36 VAL CG1 C 17.674 0.300 2 343 36 36 VAL HG1 H 0.833 0.030 1 344 36 36 VAL CG2 C 22.696 0.300 2 345 36 36 VAL HG2 H 0.611 0.030 1 346 36 36 VAL C C 171.953 0.300 1 347 37 37 CYS N N 124.685 0.300 1 348 37 37 CYS H H 8.694 0.030 1 349 37 37 CYS CA C 59.979 0.300 1 350 37 37 CYS HA H 4.594 0.030 1 351 37 37 CYS CB C 29.016 0.300 1 352 37 37 CYS HB2 H 2.396 0.030 2 353 37 37 CYS HB3 H 2.084 0.030 2 354 37 37 CYS C C 173.445 0.300 1 355 38 38 LEU N N 132.291 0.300 1 356 38 38 LEU H H 9.625 0.030 1 357 38 38 LEU CA C 57.958 0.300 1 358 38 38 LEU HA H 4.167 0.030 1 359 38 38 LEU CB C 42.189 0.300 1 360 38 38 LEU HB2 H 2.030 0.030 2 361 38 38 LEU HB3 H 1.230 0.030 2 362 38 38 LEU CG C 26.785 0.300 1 363 38 38 LEU HG H 1.349 0.030 1 364 38 38 LEU CD1 C 24.473 0.300 2 365 38 38 LEU HD1 H 1.040 0.030 1 366 38 38 LEU CD2 C 25.516 0.300 2 367 38 38 LEU HD2 H 0.080 0.030 1 368 38 38 LEU C C 173.188 0.300 1 369 39 39 GLU N N 127.988 0.300 1 370 39 39 GLU H H 9.267 0.030 1 371 39 39 GLU CA C 57.435 0.300 1 372 39 39 GLU HA H 4.521 0.030 1 373 39 39 GLU CB C 31.891 0.300 1 374 39 39 GLU HB2 H 2.365 0.030 2 375 39 39 GLU HB3 H 1.753 0.030 2 376 39 39 GLU CG C 36.196 0.300 1 377 39 39 GLU HG2 H 1.953 0.030 2 378 39 39 GLU HG3 H 1.751 0.030 2 379 39 39 GLU C C 175.300 0.300 1 380 40 40 ASN N N 115.109 0.300 1 381 40 40 ASN H H 7.757 0.030 1 382 40 40 ASN CA C 52.151 0.300 1 383 40 40 ASN HA H 5.353 0.030 1 384 40 40 ASN CB C 43.324 0.300 1 385 40 40 ASN HB2 H 2.610 0.030 2 386 40 40 ASN HB3 H 2.565 0.030 2 387 40 40 ASN ND2 N 112.904 0.300 1 388 40 40 ASN HD21 H 7.449 0.030 2 389 40 40 ASN HD22 H 6.602 0.030 2 390 40 40 ASN C C 173.918 0.300 1 391 41 41 CYS N N 120.861 0.300 1 392 41 41 CYS H H 9.646 0.030 1 393 41 41 CYS CA C 58.934 0.300 1 394 41 41 CYS HA H 5.167 0.030 1 395 41 41 CYS CB C 30.293 0.300 1 396 41 41 CYS HB2 H 3.052 0.030 2 397 41 41 CYS HB3 H 2.983 0.030 2 398 41 41 CYS C C 171.600 0.300 1 399 42 42 VAL N N 126.721 0.300 1 400 42 42 VAL H H 9.532 0.030 1 401 42 42 VAL CA C 60.463 0.300 1 402 42 42 VAL HA H 4.454 0.030 1 403 42 42 VAL CB C 35.496 0.300 1 404 42 42 VAL HB H 1.976 0.030 1 405 42 42 VAL CG1 C 20.875 0.300 2 406 42 42 VAL HG1 H 0.854 0.030 1 407 42 42 VAL CG2 C 20.451 0.300 2 408 42 42 VAL HG2 H 0.850 0.030 1 409 42 42 VAL C C 173.645 0.300 1 410 43 43 LEU N N 127.183 0.300 1 411 43 43 LEU H H 8.597 0.030 1 412 43 43 LEU CA C 54.209 0.300 1 413 43 43 LEU HA H 5.050 0.030 1 414 43 43 LEU CB C 43.450 0.300 1 415 43 43 LEU HB2 H 1.783 0.030 2 416 43 43 LEU HB3 H 1.437 0.030 2 417 43 43 LEU CG C 27.718 0.300 1 418 43 43 LEU HG H 1.579 0.030 1 419 43 43 LEU CD1 C 25.754 0.300 2 420 43 43 LEU HD1 H 0.806 0.030 1 421 43 43 LEU CD2 C 25.396 0.300 2 422 43 43 LEU HD2 H 0.832 0.030 1 423 43 43 LEU C C 176.151 0.300 1 424 44 44 LYS N N 127.086 0.300 1 425 44 44 LYS H H 8.726 0.030 1 426 44 44 LYS CA C 55.033 0.300 1 427 44 44 LYS HA H 4.552 0.030 1 428 44 44 LYS CB C 34.147 0.300 1 429 44 44 LYS HB2 H 1.842 0.030 2 430 44 44 LYS HB3 H 1.565 0.030 2 431 44 44 LYS CG C 24.629 0.300 1 432 44 44 LYS HG2 H 1.290 0.030 1 433 44 44 LYS HG3 H 1.290 0.030 1 434 44 44 LYS CD C 29.270 0.300 1 435 44 44 LYS HD2 H 1.586 0.030 1 436 44 44 LYS HD3 H 1.586 0.030 1 437 44 44 LYS CE C 41.958 0.300 1 438 44 44 LYS HE2 H 2.831 0.030 1 439 44 44 LYS HE3 H 2.831 0.030 1 440 44 44 LYS C C 175.176 0.300 1 441 45 45 ASP N N 123.045 0.300 1 442 45 45 ASP H H 8.876 0.030 1 443 45 45 ASP CA C 56.515 0.300 1 444 45 45 ASP HA H 4.321 0.030 1 445 45 45 ASP CB C 39.782 0.300 1 446 45 45 ASP HB2 H 2.693 0.030 2 447 45 45 ASP HB3 H 2.819 0.030 2 448 45 45 ASP C C 175.339 0.300 1 449 46 46 LYS N N 118.201 0.300 1 450 46 46 LYS H H 8.620 0.030 1 451 46 46 LYS CA C 56.158 0.300 1 452 46 46 LYS HA H 4.079 0.030 1 453 46 46 LYS CB C 30.929 0.300 1 454 46 46 LYS HB2 H 2.095 0.030 2 455 46 46 LYS HB3 H 1.808 0.030 2 456 46 46 LYS CG C 25.068 0.300 1 457 46 46 LYS HG2 H 1.459 0.030 2 458 46 46 LYS HG3 H 1.359 0.030 2 459 46 46 LYS CD C 29.107 0.300 1 460 46 46 LYS HD2 H 1.721 0.030 2 461 46 46 LYS HD3 H 1.653 0.030 2 462 46 46 LYS CE C 42.262 0.300 1 463 46 46 LYS HE2 H 2.956 0.030 1 464 46 46 LYS HE3 H 2.956 0.030 1 465 46 46 LYS C C 174.615 0.300 1 466 47 47 ALA N N 121.283 0.300 1 467 47 47 ALA H H 7.611 0.030 1 468 47 47 ALA CA C 51.809 0.300 1 469 47 47 ALA HA H 5.105 0.030 1 470 47 47 ALA CB C 22.739 0.300 1 471 47 47 ALA HB H 1.269 0.030 1 472 47 47 ALA C C 175.508 0.300 1 473 48 48 ILE N N 114.639 0.300 1 474 48 48 ILE H H 8.819 0.030 1 475 48 48 ILE CA C 59.017 0.300 1 476 48 48 ILE HA H 5.230 0.030 1 477 48 48 ILE CB C 41.811 0.300 1 478 48 48 ILE HB H 1.591 0.030 1 479 48 48 ILE CG1 C 26.919 0.300 1 480 48 48 ILE HG12 H 1.583 0.030 2 481 48 48 ILE HG13 H 0.831 0.030 2 482 48 48 ILE CG2 C 18.107 0.300 1 483 48 48 ILE HG2 H 0.794 0.030 1 484 48 48 ILE CD1 C 14.432 0.300 1 485 48 48 ILE HD1 H 0.494 0.030 1 486 48 48 ILE C C 172.954 0.300 1 487 49 49 ALA N N 126.155 0.300 1 488 49 49 ALA H H 8.652 0.030 1 489 49 49 ALA CA C 50.095 0.300 1 490 49 49 ALA HA H 4.769 0.030 1 491 49 49 ALA CB C 22.651 0.300 1 492 49 49 ALA HB H 1.224 0.030 1 493 49 49 ALA C C 175.812 0.300 1 494 50 50 GLY N N 105.980 0.300 1 495 50 50 GLY H H 6.754 0.030 1 496 50 50 GLY CA C 46.134 0.300 1 497 50 50 GLY HA2 H 3.803 0.030 2 498 50 50 GLY HA3 H 4.077 0.030 2 499 50 50 GLY C C 172.510 0.300 1 500 51 51 THR N N 108.648 0.300 1 501 51 51 THR H H 8.556 0.030 1 502 51 51 THR CA C 59.116 0.300 1 503 51 51 THR HA H 5.588 0.030 1 504 51 51 THR CB C 72.737 0.300 1 505 51 51 THR HB H 4.182 0.030 1 506 51 51 THR CG2 C 23.607 0.300 1 507 51 51 THR HG2 H 1.008 0.030 1 508 51 51 THR C C 174.087 0.300 1 509 52 52 VAL N N 122.025 0.300 1 510 52 52 VAL H H 9.746 0.030 1 511 52 52 VAL CA C 61.371 0.300 1 512 52 52 VAL HA H 4.463 0.030 1 513 52 52 VAL CB C 36.986 0.300 1 514 52 52 VAL HB H 1.848 0.030 1 515 52 52 VAL CG1 C 22.835 0.300 2 516 52 52 VAL HG1 H 0.750 0.030 1 517 52 52 VAL CG2 C 21.840 0.300 2 518 52 52 VAL HG2 H 0.991 0.030 1 519 52 52 VAL C C 174.687 0.300 1 520 53 53 LYS N N 125.115 0.300 1 521 53 53 LYS H H 8.567 0.030 1 522 53 53 LYS CA C 53.668 0.300 1 523 53 53 LYS HA H 5.599 0.030 1 524 53 53 LYS CB C 37.855 0.300 1 525 53 53 LYS HB2 H 1.616 0.030 2 526 53 53 LYS HB3 H 1.905 0.030 2 527 53 53 LYS CG C 26.129 0.300 1 528 53 53 LYS HG2 H 1.544 0.030 2 529 53 53 LYS HG3 H 1.613 0.030 2 530 53 53 LYS CD C 29.620 0.300 1 531 53 53 LYS HD2 H 1.788 0.030 2 532 53 53 LYS HD3 H 1.550 0.030 2 533 53 53 LYS CE C 42.625 0.300 1 534 53 53 LYS HE2 H 2.827 0.030 2 535 53 53 LYS HE3 H 2.931 0.030 2 536 53 53 LYS C C 174.697 0.300 1 537 54 54 VAL N N 110.661 0.300 1 538 54 54 VAL H H 8.498 0.030 1 539 54 54 VAL CA C 57.682 0.300 1 540 54 54 VAL HA H 4.825 0.030 1 541 54 54 VAL CB C 34.634 0.300 1 542 54 54 VAL HB H 1.565 0.030 1 543 54 54 VAL CG1 C 21.565 0.300 2 544 54 54 VAL HG1 H -0.068 0.030 1 545 54 54 VAL CG2 C 19.462 0.300 2 546 54 54 VAL HG2 H 0.496 0.030 1 547 54 54 VAL C C 176.105 0.300 1 548 55 55 GLN N N 119.414 0.300 1 549 55 55 GLN H H 7.924 0.030 1 550 55 55 GLN CA C 56.023 0.300 1 551 55 55 GLN HA H 4.456 0.030 1 552 55 55 GLN CB C 30.216 0.300 1 553 55 55 GLN HB2 H 1.989 0.030 1 554 55 55 GLN HB3 H 1.989 0.030 1 555 55 55 GLN CG C 34.547 0.300 1 556 55 55 GLN HG2 H 2.157 0.030 2 557 55 55 GLN HG3 H 2.339 0.030 2 558 55 55 GLN NE2 N 112.661 0.300 1 559 55 55 GLN HE21 H 6.862 0.030 2 560 55 55 GLN HE22 H 7.671 0.030 2 561 55 55 GLN C C 176.800 0.300 1 562 56 56 ASN N N 125.676 0.300 1 563 56 56 ASN H H 8.837 0.030 1 564 56 56 ASN CA C 53.190 0.300 1 565 56 56 ASN HA H 4.575 0.030 1 566 56 56 ASN CB C 36.855 0.300 1 567 56 56 ASN HB2 H 2.970 0.030 2 568 56 56 ASN HB3 H 2.531 0.030 2 569 56 56 ASN ND2 N 110.959 0.300 1 570 56 56 ASN HD21 H 6.713 0.030 2 571 56 56 ASN HD22 H 7.755 0.030 2 572 56 56 ASN C C 174.747 0.300 1 573 57 57 LEU N N 124.779 0.300 1 574 57 57 LEU H H 7.284 0.030 1 575 57 57 LEU CA C 55.224 0.300 1 576 57 57 LEU HA H 4.326 0.030 1 577 57 57 LEU CB C 43.634 0.300 1 578 57 57 LEU HB2 H 1.931 0.030 2 579 57 57 LEU HB3 H 1.519 0.030 2 580 57 57 LEU CG C 27.061 0.300 1 581 57 57 LEU HG H 1.459 0.030 1 582 57 57 LEU CD1 C 25.248 0.300 2 583 57 57 LEU HD1 H 0.553 0.030 1 584 57 57 LEU CD2 C 22.323 0.300 2 585 57 57 LEU HD2 H 0.703 0.030 1 586 57 57 LEU C C 176.186 0.300 1 587 58 58 ALA N N 119.342 0.300 1 588 58 58 ALA H H 7.724 0.030 1 589 58 58 ALA CA C 51.687 0.300 1 590 58 58 ALA HA H 4.343 0.030 1 591 58 58 ALA CB C 21.122 0.300 1 592 58 58 ALA HB H 1.376 0.030 1 593 58 58 ALA C C 175.847 0.300 1 594 59 59 PHE N N 118.235 0.300 1 595 59 59 PHE H H 8.231 0.030 1 596 59 59 PHE CA C 60.105 0.300 1 597 59 59 PHE HA H 4.428 0.030 1 598 59 59 PHE CB C 40.386 0.300 1 599 59 59 PHE HB2 H 3.116 0.030 2 600 59 59 PHE HB3 H 3.150 0.030 2 601 59 59 PHE CD1 C 131.770 0.300 1 602 59 59 PHE HD1 H 7.277 0.030 1 603 59 59 PHE CD2 C 131.770 0.300 1 604 59 59 PHE HD2 H 7.277 0.030 1 605 59 59 PHE CE1 C 131.648 0.300 1 606 59 59 PHE HE1 H 7.361 0.030 1 607 59 59 PHE CE2 C 131.648 0.300 1 608 59 59 PHE HE2 H 7.361 0.030 1 609 59 59 PHE CZ C 130.050 0.300 1 610 59 59 PHE HZ H 7.293 0.030 1 611 59 59 PHE C C 176.670 0.300 1 612 60 60 GLU N N 120.295 0.300 1 613 60 60 GLU H H 8.482 0.030 1 614 60 60 GLU CA C 57.134 0.300 1 615 60 60 GLU HA H 4.306 0.030 1 616 60 60 GLU CB C 29.569 0.300 1 617 60 60 GLU HB2 H 2.050 0.030 1 618 60 60 GLU HB3 H 2.050 0.030 1 619 60 60 GLU CG C 36.387 0.300 1 620 60 60 GLU HG2 H 2.336 0.030 1 621 60 60 GLU HG3 H 2.336 0.030 1 622 60 60 GLU C C 175.584 0.300 1 623 61 61 LYS N N 123.512 0.300 1 624 61 61 LYS H H 8.377 0.030 1 625 61 61 LYS CA C 55.939 0.300 1 626 61 61 LYS HA H 5.038 0.030 1 627 61 61 LYS CB C 37.890 0.300 1 628 61 61 LYS HB2 H 2.008 0.030 2 629 61 61 LYS HB3 H 1.822 0.030 2 630 61 61 LYS CG C 24.765 0.300 1 631 61 61 LYS HG2 H 1.806 0.030 2 632 61 61 LYS HG3 H 1.729 0.030 2 633 61 61 LYS CD C 29.963 0.300 1 634 61 61 LYS HD2 H 1.851 0.030 2 635 61 61 LYS HD3 H 2.006 0.030 2 636 61 61 LYS CE C 42.773 0.300 1 637 61 61 LYS HE2 H 3.303 0.030 1 638 61 61 LYS HE3 H 3.303 0.030 1 639 61 61 LYS C C 175.510 0.300 1 640 62 62 THR N N 117.107 0.300 1 641 62 62 THR H H 8.285 0.030 1 642 62 62 THR CA C 62.340 0.300 1 643 62 62 THR HA H 4.435 0.030 1 644 62 62 THR CB C 71.605 0.300 1 645 62 62 THR HB H 4.074 0.030 1 646 62 62 THR CG2 C 22.048 0.300 1 647 62 62 THR HG2 H 1.184 0.030 1 648 62 62 THR C C 172.156 0.300 1 649 63 63 VAL N N 128.402 0.300 1 650 63 63 VAL H H 8.719 0.030 1 651 63 63 VAL CA C 60.707 0.300 1 652 63 63 VAL HA H 4.755 0.030 1 653 63 63 VAL CB C 35.210 0.300 1 654 63 63 VAL HB H 0.823 0.030 1 655 63 63 VAL CG1 C 21.428 0.300 2 656 63 63 VAL HG1 H 0.459 0.030 1 657 63 63 VAL CG2 C 21.820 0.300 2 658 63 63 VAL HG2 H -0.328 0.030 1 659 63 63 VAL C C 174.313 0.300 1 660 64 64 LYS N N 123.629 0.300 1 661 64 64 LYS H H 8.519 0.030 1 662 64 64 LYS CA C 54.850 0.300 1 663 64 64 LYS HA H 4.997 0.030 1 664 64 64 LYS CB C 37.343 0.300 1 665 64 64 LYS HB2 H 1.097 0.030 2 666 64 64 LYS HB3 H 0.530 0.030 2 667 64 64 LYS CG C 25.895 0.300 1 668 64 64 LYS HG2 H 1.107 0.030 2 669 64 64 LYS HG3 H 0.878 0.030 2 670 64 64 LYS CD C 30.155 0.300 1 671 64 64 LYS HD2 H 1.434 0.030 2 672 64 64 LYS HD3 H 1.326 0.030 2 673 64 64 LYS CE C 42.546 0.300 1 674 64 64 LYS HE2 H 2.706 0.030 1 675 64 64 LYS HE3 H 2.706 0.030 1 676 64 64 LYS C C 173.348 0.300 1 677 65 65 ILE N N 119.250 0.300 1 678 65 65 ILE H H 8.637 0.030 1 679 65 65 ILE CA C 57.894 0.300 1 680 65 65 ILE HA H 4.451 0.030 1 681 65 65 ILE CB C 37.638 0.300 1 682 65 65 ILE HB H 1.714 0.030 1 683 65 65 ILE CG1 C 26.633 0.300 1 684 65 65 ILE HG12 H 0.044 0.030 2 685 65 65 ILE HG13 H 0.850 0.030 2 686 65 65 ILE CG2 C 17.604 0.300 1 687 65 65 ILE HG2 H 0.332 0.030 1 688 65 65 ILE CD1 C 10.340 0.300 1 689 65 65 ILE HD1 H -0.195 0.030 1 690 65 65 ILE C C 174.893 0.300 1 691 66 66 ARG N N 130.193 0.300 1 692 66 66 ARG H H 9.244 0.030 1 693 66 66 ARG CA C 55.930 0.300 1 694 66 66 ARG HA H 5.440 0.030 1 695 66 66 ARG CB C 31.514 0.300 1 696 66 66 ARG HB2 H 1.996 0.030 2 697 66 66 ARG HB3 H 2.103 0.030 2 698 66 66 ARG CG C 26.619 0.300 1 699 66 66 ARG HG2 H 1.791 0.030 2 700 66 66 ARG HG3 H 1.644 0.030 2 701 66 66 ARG CD C 42.911 0.300 1 702 66 66 ARG HD2 H 2.798 0.030 2 703 66 66 ARG HD3 H 1.948 0.030 2 704 66 66 ARG NE N 86.499 0.300 1 705 66 66 ARG HE H 9.891 0.030 1 706 66 66 ARG C C 174.161 0.300 1 707 67 67 MET N N 128.046 0.300 1 708 67 67 MET H H 9.343 0.030 1 709 67 67 MET CA C 54.217 0.300 1 710 67 67 MET HA H 5.318 0.030 1 711 67 67 MET CB C 37.533 0.300 1 712 67 67 MET HB2 H 2.138 0.030 2 713 67 67 MET HB3 H 1.724 0.030 2 714 67 67 MET CG C 32.149 0.300 1 715 67 67 MET HG2 H 1.728 0.030 2 716 67 67 MET HG3 H 2.012 0.030 2 717 67 67 MET CE C 17.831 0.300 1 718 67 67 MET HE H 1.545 0.030 1 719 67 67 MET C C 173.432 0.300 1 720 68 68 THR N N 118.404 0.300 1 721 68 68 THR H H 8.474 0.030 1 722 68 68 THR CA C 58.903 0.300 1 723 68 68 THR HA H 3.948 0.030 1 724 68 68 THR CB C 71.091 0.300 1 725 68 68 THR HB H 2.695 0.030 1 726 68 68 THR CG2 C 16.523 0.300 1 727 68 68 THR HG2 H -0.300 0.030 1 728 68 68 THR C C 170.783 0.300 1 729 69 69 PHE N N 124.029 0.300 1 730 69 69 PHE H H 8.910 0.030 1 731 69 69 PHE CA C 55.772 0.300 1 732 69 69 PHE HA H 4.783 0.030 1 733 69 69 PHE CB C 39.748 0.300 1 734 69 69 PHE HB2 H 3.334 0.030 2 735 69 69 PHE HB3 H 2.619 0.030 2 736 69 69 PHE CD1 C 132.120 0.300 1 737 69 69 PHE HD1 H 7.122 0.030 1 738 69 69 PHE CD2 C 132.120 0.300 1 739 69 69 PHE HD2 H 7.122 0.030 1 740 69 69 PHE CE1 C 130.701 0.300 1 741 69 69 PHE HE1 H 7.256 0.030 1 742 69 69 PHE CE2 C 130.701 0.300 1 743 69 69 PHE HE2 H 7.256 0.030 1 744 69 69 PHE CZ C 128.972 0.300 1 745 69 69 PHE HZ H 7.217 0.030 1 746 69 69 PHE C C 174.951 0.300 1 747 70 70 ASP N N 121.457 0.300 1 748 70 70 ASP H H 8.841 0.030 1 749 70 70 ASP CA C 52.288 0.300 1 750 70 70 ASP HA H 4.661 0.030 1 751 70 70 ASP CB C 40.026 0.300 1 752 70 70 ASP HB2 H 2.850 0.030 2 753 70 70 ASP HB3 H 2.362 0.030 2 754 70 70 ASP C C 177.065 0.300 1 755 71 71 THR N N 114.661 0.300 1 756 71 71 THR H H 8.724 0.030 1 757 71 71 THR CA C 63.824 0.300 1 758 71 71 THR HA H 3.181 0.030 1 759 71 71 THR CB C 66.535 0.300 1 760 71 71 THR HB H 4.632 0.030 1 761 71 71 THR CG2 C 25.281 0.300 1 762 71 71 THR HG2 H 1.458 0.030 1 763 71 71 THR C C 173.648 0.300 1 764 72 72 TRP N N 111.097 0.300 1 765 72 72 TRP H H 8.854 0.030 1 766 72 72 TRP CA C 58.910 0.300 1 767 72 72 TRP HA H 3.951 0.030 1 768 72 72 TRP CB C 24.332 0.300 1 769 72 72 TRP HB2 H 3.612 0.030 1 770 72 72 TRP HB3 H 3.612 0.030 1 771 72 72 TRP CD1 C 126.908 0.300 1 772 72 72 TRP HD1 H 6.897 0.030 1 773 72 72 TRP NE1 N 132.501 0.300 1 774 72 72 TRP HE1 H 10.996 0.030 1 775 72 72 TRP CE3 C 120.462 0.300 1 776 72 72 TRP HE3 H 7.540 0.030 1 777 72 72 TRP CZ2 C 114.387 0.300 1 778 72 72 TRP HZ2 H 6.893 0.030 1 779 72 72 TRP CZ3 C 120.443 0.300 1 780 72 72 TRP HZ3 H 6.479 0.030 1 781 72 72 TRP CH2 C 123.448 0.300 1 782 72 72 TRP HH2 H 7.033 0.030 1 783 72 72 TRP C C 176.875 0.300 1 784 73 73 LYS N N 124.701 0.300 1 785 73 73 LYS H H 7.785 0.030 1 786 73 73 LYS CA C 60.463 0.300 1 787 73 73 LYS HA H 4.174 0.030 1 788 73 73 LYS CB C 31.024 0.300 1 789 73 73 LYS HB2 H 1.792 0.030 1 790 73 73 LYS HB3 H 1.792 0.030 1 791 73 73 LYS CG C 25.459 0.300 1 792 73 73 LYS HG2 H 1.503 0.030 2 793 73 73 LYS HG3 H 1.720 0.030 2 794 73 73 LYS CD C 29.225 0.300 1 795 73 73 LYS HD2 H 1.851 0.030 2 796 73 73 LYS HD3 H 1.750 0.030 2 797 73 73 LYS CE C 41.473 0.300 1 798 73 73 LYS HE2 H 3.095 0.030 1 799 73 73 LYS HE3 H 3.095 0.030 1 800 73 73 LYS C C 177.622 0.300 1 801 74 74 SER N N 117.041 0.300 1 802 74 74 SER H H 10.002 0.030 1 803 74 74 SER CA C 57.539 0.300 1 804 74 74 SER HA H 4.556 0.030 1 805 74 74 SER CB C 66.372 0.300 1 806 74 74 SER HB2 H 3.821 0.030 1 807 74 74 SER HB3 H 3.821 0.030 1 808 74 74 SER C C 171.956 0.300 1 809 75 75 TYR N N 113.320 0.300 1 810 75 75 TYR H H 7.735 0.030 1 811 75 75 TYR CA C 57.155 0.300 1 812 75 75 TYR HA H 5.229 0.030 1 813 75 75 TYR CB C 40.745 0.300 1 814 75 75 TYR HB2 H 2.862 0.030 2 815 75 75 TYR HB3 H 3.100 0.030 2 816 75 75 TYR CD1 C 133.592 0.300 1 817 75 75 TYR HD1 H 6.941 0.030 1 818 75 75 TYR CD2 C 133.592 0.300 1 819 75 75 TYR HD2 H 6.941 0.030 1 820 75 75 TYR CE1 C 118.174 0.300 1 821 75 75 TYR HE1 H 6.800 0.030 1 822 75 75 TYR CE2 C 118.174 0.300 1 823 75 75 TYR HE2 H 6.800 0.030 1 824 75 75 TYR C C 174.262 0.300 1 825 76 76 THR N N 117.158 0.300 1 826 76 76 THR H H 9.212 0.030 1 827 76 76 THR CA C 62.104 0.300 1 828 76 76 THR HA H 4.318 0.030 1 829 76 76 THR CB C 72.675 0.300 1 830 76 76 THR HB H 3.643 0.030 1 831 76 76 THR CG2 C 21.414 0.300 1 832 76 76 THR HG2 H 0.483 0.030 1 833 76 76 THR C C 171.344 0.300 1 834 77 77 ASP N N 125.875 0.300 1 835 77 77 ASP H H 8.569 0.030 1 836 77 77 ASP CA C 52.422 0.300 1 837 77 77 ASP HA H 5.865 0.030 1 838 77 77 ASP CB C 41.512 0.300 1 839 77 77 ASP HB2 H 2.689 0.030 2 840 77 77 ASP HB3 H 2.159 0.030 2 841 77 77 ASP C C 175.921 0.300 1 842 78 78 PHE N N 125.666 0.300 1 843 78 78 PHE H H 9.992 0.030 1 844 78 78 PHE CA C 55.578 0.300 1 845 78 78 PHE HA H 4.943 0.030 1 846 78 78 PHE CB C 40.375 0.300 1 847 78 78 PHE HB2 H 2.782 0.030 2 848 78 78 PHE HB3 H 3.156 0.030 2 849 78 78 PHE CD1 C 132.483 0.300 1 850 78 78 PHE HD1 H 7.328 0.030 1 851 78 78 PHE CD2 C 132.483 0.300 1 852 78 78 PHE HD2 H 7.328 0.030 1 853 78 78 PHE CE1 C 131.357 0.300 1 854 78 78 PHE HE1 H 7.370 0.030 1 855 78 78 PHE CE2 C 131.357 0.300 1 856 78 78 PHE HE2 H 7.370 0.030 1 857 78 78 PHE CZ C 129.637 0.300 1 858 78 78 PHE HZ H 7.415 0.030 1 859 78 78 PHE C C 173.610 0.300 1 860 79 79 PRO CA C 63.363 0.300 1 861 79 79 PRO HA H 4.615 0.030 1 862 79 79 PRO CB C 32.787 0.300 1 863 79 79 PRO HB2 H 2.100 0.030 2 864 79 79 PRO HB3 H 2.367 0.030 2 865 79 79 PRO CG C 27.429 0.300 1 866 79 79 PRO HG2 H 2.149 0.030 2 867 79 79 PRO HG3 H 2.315 0.030 2 868 79 79 PRO CD C 50.905 0.300 1 869 79 79 PRO HD2 H 4.091 0.030 2 870 79 79 PRO HD3 H 3.973 0.030 2 871 79 79 PRO C C 176.681 0.300 1 872 80 80 CYS N N 117.289 0.300 1 873 80 80 CYS H H 8.308 0.030 1 874 80 80 CYS CA C 57.675 0.300 1 875 80 80 CYS HA H 5.242 0.030 1 876 80 80 CYS CB C 30.658 0.300 1 877 80 80 CYS HB2 H 2.727 0.030 2 878 80 80 CYS HB3 H 2.957 0.030 2 879 80 80 CYS C C 174.899 0.300 1 880 81 81 GLN N N 122.188 0.300 1 881 81 81 GLN H H 9.312 0.030 1 882 81 81 GLN CA C 54.620 0.300 1 883 81 81 GLN HA H 4.911 0.030 1 884 81 81 GLN CB C 31.213 0.300 1 885 81 81 GLN HB2 H 2.103 0.030 1 886 81 81 GLN HB3 H 2.103 0.030 1 887 81 81 GLN CG C 34.078 0.300 1 888 81 81 GLN HG2 H 2.419 0.030 2 889 81 81 GLN HG3 H 2.470 0.030 2 890 81 81 GLN NE2 N 112.462 0.300 1 891 81 81 GLN HE21 H 7.622 0.030 2 892 81 81 GLN HE22 H 6.809 0.030 2 893 81 81 GLN C C 175.035 0.300 1 894 82 82 TYR N N 125.814 0.300 1 895 82 82 TYR H H 8.919 0.030 1 896 82 82 TYR CA C 58.764 0.300 1 897 82 82 TYR HA H 3.403 0.030 1 898 82 82 TYR CB C 38.346 0.300 1 899 82 82 TYR HB2 H 2.790 0.030 2 900 82 82 TYR HB3 H 2.641 0.030 2 901 82 82 TYR CD1 C 132.674 0.300 1 902 82 82 TYR HD1 H 6.574 0.030 1 903 82 82 TYR CD2 C 132.674 0.300 1 904 82 82 TYR HD2 H 6.574 0.030 1 905 82 82 TYR CE1 C 118.016 0.300 1 906 82 82 TYR HE1 H 6.636 0.030 1 907 82 82 TYR CE2 C 118.016 0.300 1 908 82 82 TYR HE2 H 6.636 0.030 1 909 82 82 TYR C C 175.413 0.300 1 910 83 83 VAL N N 129.316 0.300 1 911 83 83 VAL H H 7.782 0.030 1 912 83 83 VAL CA C 61.693 0.300 1 913 83 83 VAL HA H 3.758 0.030 1 914 83 83 VAL CB C 32.564 0.300 1 915 83 83 VAL HB H 1.616 0.030 1 916 83 83 VAL CG1 C 20.911 0.300 2 917 83 83 VAL HG1 H 0.701 0.030 1 918 83 83 VAL CG2 C 21.124 0.300 2 919 83 83 VAL HG2 H 0.742 0.030 1 920 83 83 VAL C C 173.771 0.300 1 921 84 84 LYS N N 126.665 0.300 1 922 84 84 LYS H H 8.174 0.030 1 923 84 84 LYS CA C 56.144 0.300 1 924 84 84 LYS HA H 4.016 0.030 1 925 84 84 LYS CB C 32.170 0.300 1 926 84 84 LYS HB2 H 1.628 0.030 2 927 84 84 LYS HB3 H 1.785 0.030 2 928 84 84 LYS CG C 25.067 0.300 1 929 84 84 LYS HG2 H 1.413 0.030 2 930 84 84 LYS HG3 H 1.380 0.030 2 931 84 84 LYS CD C 29.354 0.300 1 932 84 84 LYS HD2 H 1.718 0.030 1 933 84 84 LYS HD3 H 1.718 0.030 1 934 84 84 LYS CE C 42.130 0.300 1 935 84 84 LYS HE2 H 3.015 0.030 1 936 84 84 LYS HE3 H 3.015 0.030 1 937 84 84 LYS C C 175.610 0.300 1 938 85 85 ASP N N 124.262 0.300 1 939 85 85 ASP H H 7.864 0.030 1 940 85 85 ASP CA C 53.349 0.300 1 941 85 85 ASP HA H 4.678 0.030 1 942 85 85 ASP CB C 41.683 0.300 1 943 85 85 ASP HB2 H 2.672 0.030 2 944 85 85 ASP HB3 H 2.765 0.030 2 945 85 85 ASP C C 176.841 0.300 1 946 86 86 THR N N 113.656 0.300 1 947 86 86 THR H H 8.065 0.030 1 948 86 86 THR CA C 63.274 0.300 1 949 86 86 THR HA H 4.086 0.030 1 950 86 86 THR CB C 69.257 0.300 1 951 86 86 THR HB H 4.003 0.030 1 952 86 86 THR CG2 C 21.393 0.300 1 953 86 86 THR HG2 H 0.991 0.030 1 954 86 86 THR C C 174.589 0.300 1 955 87 87 TYR N N 120.837 0.300 1 956 87 87 TYR H H 8.064 0.030 1 957 87 87 TYR CA C 58.054 0.300 1 958 87 87 TYR HA H 4.527 0.030 1 959 87 87 TYR CB C 38.297 0.300 1 960 87 87 TYR HB2 H 3.192 0.030 2 961 87 87 TYR HB3 H 2.922 0.030 2 962 87 87 TYR CD1 C 133.356 0.300 1 963 87 87 TYR HD1 H 7.148 0.030 1 964 87 87 TYR CD2 C 133.356 0.300 1 965 87 87 TYR HD2 H 7.148 0.030 1 966 87 87 TYR CE1 C 118.199 0.300 1 967 87 87 TYR HE1 H 6.805 0.030 1 968 87 87 TYR CE2 C 118.199 0.300 1 969 87 87 TYR HE2 H 6.805 0.030 1 970 87 87 TYR C C 175.590 0.300 1 971 88 88 ALA N N 125.226 0.300 1 972 88 88 ALA H H 7.963 0.030 1 973 88 88 ALA CA C 53.104 0.300 1 974 88 88 ALA HA H 4.389 0.030 1 975 88 88 ALA CB C 19.127 0.300 1 976 88 88 ALA HB H 1.471 0.030 1 977 88 88 ALA C C 178.497 0.300 1 978 89 89 GLY N N 109.029 0.300 1 979 89 89 GLY H H 8.479 0.030 1 980 89 89 GLY CA C 45.426 0.300 1 981 89 89 GLY HA2 H 3.952 0.030 2 982 89 89 GLY HA3 H 4.079 0.030 2 983 89 89 GLY C C 174.563 0.300 1 984 90 90 SER N N 115.638 0.300 1 985 90 90 SER H H 8.232 0.030 1 986 90 90 SER CA C 58.443 0.300 1 987 90 90 SER HA H 4.574 0.030 1 988 90 90 SER CB C 63.865 0.300 1 989 90 90 SER HB2 H 4.073 0.030 2 990 90 90 SER HB3 H 3.945 0.030 2 991 90 90 SER C C 174.212 0.300 1 992 91 91 ASP N N 120.185 0.300 1 993 91 91 ASP H H 8.691 0.030 1 994 91 91 ASP CA C 55.012 0.300 1 995 91 91 ASP HA H 4.684 0.030 1 996 91 91 ASP CB C 40.643 0.300 1 997 91 91 ASP HB2 H 2.736 0.030 2 998 91 91 ASP HB3 H 2.821 0.030 2 999 91 91 ASP C C 176.350 0.300 1 1000 92 92 ARG N N 119.690 0.300 1 1001 92 92 ARG H H 8.072 0.030 1 1002 92 92 ARG CA C 54.941 0.300 1 1003 92 92 ARG HA H 5.022 0.030 1 1004 92 92 ARG CB C 32.816 0.300 1 1005 92 92 ARG HB2 H 1.631 0.030 2 1006 92 92 ARG HB3 H 1.673 0.030 2 1007 92 92 ARG CG C 26.376 0.300 1 1008 92 92 ARG HG2 H 1.487 0.030 1 1009 92 92 ARG HG3 H 1.487 0.030 1 1010 92 92 ARG CD C 43.669 0.300 1 1011 92 92 ARG HD2 H 2.904 0.030 1 1012 92 92 ARG HD3 H 2.904 0.030 1 1013 92 92 ARG C C 174.072 0.300 1 1014 93 93 ASP N N 119.716 0.300 1 1015 93 93 ASP H H 8.550 0.030 1 1016 93 93 ASP CA C 53.411 0.300 1 1017 93 93 ASP HA H 5.108 0.030 1 1018 93 93 ASP CB C 46.005 0.300 1 1019 93 93 ASP HB2 H 2.627 0.030 1 1020 93 93 ASP HB3 H 2.627 0.030 1 1021 93 93 ASP C C 174.776 0.300 1 1022 94 94 THR N N 116.481 0.300 1 1023 94 94 THR H H 8.932 0.030 1 1024 94 94 THR CA C 62.287 0.300 1 1025 94 94 THR HA H 5.232 0.030 1 1026 94 94 THR CB C 70.008 0.300 1 1027 94 94 THR HB H 3.821 0.030 1 1028 94 94 THR CG2 C 22.018 0.300 1 1029 94 94 THR HG2 H 1.229 0.030 1 1030 94 94 THR C C 171.982 0.300 1 1031 95 95 PHE N N 124.488 0.300 1 1032 95 95 PHE H H 9.347 0.030 1 1033 95 95 PHE CA C 55.834 0.300 1 1034 95 95 PHE HA H 5.321 0.030 1 1035 95 95 PHE CB C 43.478 0.300 1 1036 95 95 PHE HB2 H 2.596 0.030 2 1037 95 95 PHE HB3 H 2.684 0.030 2 1038 95 95 PHE CD1 C 131.235 0.300 1 1039 95 95 PHE HD1 H 6.852 0.030 1 1040 95 95 PHE CD2 C 131.235 0.300 1 1041 95 95 PHE HD2 H 6.852 0.030 1 1042 95 95 PHE CE1 C 131.207 0.300 1 1043 95 95 PHE HE1 H 7.192 0.030 1 1044 95 95 PHE CE2 C 131.207 0.300 1 1045 95 95 PHE HE2 H 7.192 0.030 1 1046 95 95 PHE CZ C 129.997 0.300 1 1047 95 95 PHE HZ H 7.137 0.030 1 1048 95 95 PHE C C 174.780 0.300 1 1049 96 96 SER N N 117.417 0.300 1 1050 96 96 SER H H 10.108 0.030 1 1051 96 96 SER CA C 56.388 0.300 1 1052 96 96 SER HA H 5.575 0.030 1 1053 96 96 SER CB C 67.188 0.300 1 1054 96 96 SER HB2 H 4.054 0.030 2 1055 96 96 SER HB3 H 3.565 0.030 2 1056 96 96 SER C C 173.079 0.300 1 1057 97 97 PHE N N 114.813 0.300 1 1058 97 97 PHE H H 7.991 0.030 1 1059 97 97 PHE CA C 56.003 0.300 1 1060 97 97 PHE HA H 5.249 0.030 1 1061 97 97 PHE CB C 42.008 0.300 1 1062 97 97 PHE HB2 H 3.558 0.030 2 1063 97 97 PHE HB3 H 2.739 0.030 2 1064 97 97 PHE CD1 C 132.499 0.300 1 1065 97 97 PHE HD1 H 6.693 0.030 1 1066 97 97 PHE CD2 C 132.499 0.300 1 1067 97 97 PHE HD2 H 6.693 0.030 1 1068 97 97 PHE CE1 C 129.889 0.300 1 1069 97 97 PHE HE1 H 6.704 0.030 1 1070 97 97 PHE CE2 C 129.889 0.300 1 1071 97 97 PHE HE2 H 6.704 0.030 1 1072 97 97 PHE CZ C 129.323 0.300 1 1073 97 97 PHE HZ H 6.920 0.030 1 1074 97 97 PHE C C 174.316 0.300 1 1075 98 98 ASP N N 121.809 0.300 1 1076 98 98 ASP H H 8.297 0.030 1 1077 98 98 ASP CA C 54.789 0.300 1 1078 98 98 ASP HA H 5.006 0.030 1 1079 98 98 ASP CB C 42.282 0.300 1 1080 98 98 ASP HB2 H 2.690 0.030 2 1081 98 98 ASP HB3 H 2.478 0.030 2 1082 98 98 ASP C C 174.959 0.300 1 1083 99 99 ILE N N 126.714 0.300 1 1084 99 99 ILE H H 9.331 0.030 1 1085 99 99 ILE CA C 60.455 0.300 1 1086 99 99 ILE HA H 4.016 0.030 1 1087 99 99 ILE CB C 42.110 0.300 1 1088 99 99 ILE HB H 1.263 0.030 1 1089 99 99 ILE CG1 C 26.936 0.300 1 1090 99 99 ILE HG12 H 0.333 0.030 2 1091 99 99 ILE HG13 H 1.396 0.030 2 1092 99 99 ILE CG2 C 15.300 0.300 1 1093 99 99 ILE HG2 H -0.065 0.030 1 1094 99 99 ILE CD1 C 14.737 0.300 1 1095 99 99 ILE HD1 H 0.201 0.030 1 1096 99 99 ILE C C 175.019 0.300 1 1097 100 100 SER N N 122.590 0.300 1 1098 100 100 SER H H 8.345 0.030 1 1099 100 100 SER CA C 58.848 0.300 1 1100 100 100 SER HA H 4.527 0.030 1 1101 100 100 SER CB C 63.482 0.300 1 1102 100 100 SER HB2 H 3.760 0.030 2 1103 100 100 SER HB3 H 3.879 0.030 2 1104 100 100 SER C C 173.557 0.300 1 1105 101 101 LEU N N 124.776 0.300 1 1106 101 101 LEU H H 8.277 0.030 1 1107 101 101 LEU CA C 52.430 0.300 1 1108 101 101 LEU HA H 4.375 0.030 1 1109 101 101 LEU CB C 40.427 0.300 1 1110 101 101 LEU HB2 H 1.329 0.030 2 1111 101 101 LEU HB3 H 1.113 0.030 2 1112 101 101 LEU CG C 27.306 0.300 1 1113 101 101 LEU HG H 1.419 0.030 1 1114 101 101 LEU CD1 C 25.303 0.300 2 1115 101 101 LEU HD1 H 0.461 0.030 1 1116 101 101 LEU CD2 C 22.532 0.300 2 1117 101 101 LEU HD2 H 0.660 0.030 1 1118 101 101 LEU C C 174.363 0.300 1 1119 102 102 PRO CA C 62.488 0.300 1 1120 102 102 PRO HA H 4.259 0.030 1 1121 102 102 PRO CB C 32.073 0.300 1 1122 102 102 PRO HB2 H 1.619 0.030 2 1123 102 102 PRO HB3 H 2.034 0.030 2 1124 102 102 PRO CG C 27.043 0.300 1 1125 102 102 PRO HG2 H 1.270 0.030 2 1126 102 102 PRO HG3 H 1.316 0.030 2 1127 102 102 PRO CD C 50.501 0.300 1 1128 102 102 PRO HD2 H 2.969 0.030 2 1129 102 102 PRO HD3 H 3.109 0.030 2 1130 102 102 PRO C C 175.687 0.300 1 1131 103 103 GLU N N 118.843 0.300 1 1132 103 103 GLU H H 8.286 0.030 1 1133 103 103 GLU CA C 58.131 0.300 1 1134 103 103 GLU HA H 4.013 0.030 1 1135 103 103 GLU CB C 30.344 0.300 1 1136 103 103 GLU HB2 H 1.986 0.030 1 1137 103 103 GLU HB3 H 1.986 0.030 1 1138 103 103 GLU CG C 36.360 0.300 1 1139 103 103 GLU HG2 H 2.241 0.030 2 1140 103 103 GLU HG3 H 2.312 0.030 2 1141 103 103 GLU C C 176.869 0.300 1 1142 104 104 LYS N N 116.544 0.300 1 1143 104 104 LYS H H 7.869 0.030 1 1144 104 104 LYS CA C 55.314 0.300 1 1145 104 104 LYS HA H 4.474 0.030 1 1146 104 104 LYS CB C 33.428 0.300 1 1147 104 104 LYS HB2 H 1.670 0.030 2 1148 104 104 LYS HB3 H 1.745 0.030 2 1149 104 104 LYS CG C 24.665 0.300 1 1150 104 104 LYS HG2 H 1.283 0.030 1 1151 104 104 LYS HG3 H 1.283 0.030 1 1152 104 104 LYS CD C 29.152 0.300 1 1153 104 104 LYS HD2 H 1.632 0.030 1 1154 104 104 LYS HD3 H 1.632 0.030 1 1155 104 104 LYS CE C 42.048 0.300 1 1156 104 104 LYS HE2 H 2.931 0.030 1 1157 104 104 LYS HE3 H 2.931 0.030 1 1158 104 104 LYS C C 175.231 0.300 1 1159 105 105 ILE N N 122.507 0.300 1 1160 105 105 ILE H H 8.236 0.030 1 1161 105 105 ILE CA C 60.636 0.300 1 1162 105 105 ILE HA H 4.190 0.030 1 1163 105 105 ILE CB C 39.685 0.300 1 1164 105 105 ILE HB H 1.824 0.030 1 1165 105 105 ILE CG1 C 27.549 0.300 1 1166 105 105 ILE HG12 H 1.086 0.030 2 1167 105 105 ILE HG13 H 1.393 0.030 2 1168 105 105 ILE CG2 C 17.595 0.300 1 1169 105 105 ILE HG2 H 0.932 0.030 1 1170 105 105 ILE CD1 C 13.990 0.300 1 1171 105 105 ILE HD1 H 0.789 0.030 1 1172 105 105 ILE C C 176.091 0.300 1 1173 106 106 GLN N N 124.467 0.300 1 1174 106 106 GLN H H 8.752 0.030 1 1175 106 106 GLN CA C 56.244 0.300 1 1176 106 106 GLN HA H 4.243 0.030 1 1177 106 106 GLN CB C 28.717 0.300 1 1178 106 106 GLN HB2 H 1.775 0.030 2 1179 106 106 GLN HB3 H 1.636 0.030 2 1180 106 106 GLN CG C 33.574 0.300 1 1181 106 106 GLN HG2 H 2.430 0.030 1 1182 106 106 GLN HG3 H 2.430 0.030 1 1183 106 106 GLN NE2 N 112.508 0.300 1 1184 106 106 GLN HE21 H 6.877 0.030 2 1185 106 106 GLN HE22 H 7.537 0.030 2 1186 106 106 GLN C C 177.593 0.300 1 1187 107 107 SER N N 116.963 0.300 1 1188 107 107 SER H H 8.623 0.030 1 1189 107 107 SER CA C 60.530 0.300 1 1190 107 107 SER HA H 4.152 0.030 1 1191 107 107 SER CB C 63.187 0.300 1 1192 107 107 SER HB2 H 3.781 0.030 2 1193 107 107 SER HB3 H 3.815 0.030 2 1194 107 107 SER C C 174.222 0.300 1 1195 108 108 TYR N N 116.323 0.300 1 1196 108 108 TYR H H 7.330 0.030 1 1197 108 108 TYR CA C 56.727 0.300 1 1198 108 108 TYR HA H 4.655 0.030 1 1199 108 108 TYR CB C 37.491 0.300 1 1200 108 108 TYR HB2 H 3.252 0.030 2 1201 108 108 TYR HB3 H 3.059 0.030 2 1202 108 108 TYR CD1 C 133.246 0.300 1 1203 108 108 TYR HD1 H 7.059 0.030 1 1204 108 108 TYR CD2 C 133.246 0.300 1 1205 108 108 TYR HD2 H 7.059 0.030 1 1206 108 108 TYR CE1 C 118.624 0.300 1 1207 108 108 TYR HE1 H 6.824 0.030 1 1208 108 108 TYR CE2 C 118.624 0.300 1 1209 108 108 TYR HE2 H 6.824 0.030 1 1210 108 108 TYR C C 175.768 0.300 1 1211 109 109 GLU N N 120.523 0.300 1 1212 109 109 GLU H H 7.587 0.030 1 1213 109 109 GLU CA C 55.573 0.300 1 1214 109 109 GLU HA H 4.582 0.030 1 1215 109 109 GLU CB C 31.360 0.300 1 1216 109 109 GLU HB2 H 1.874 0.030 2 1217 109 109 GLU HB3 H 2.047 0.030 2 1218 109 109 GLU CG C 34.899 0.300 1 1219 109 109 GLU HG2 H 2.061 0.030 2 1220 109 109 GLU HG3 H 2.280 0.030 2 1221 109 109 GLU C C 176.013 0.300 1 1222 110 110 ARG N N 118.559 0.300 1 1223 110 110 ARG H H 8.441 0.030 1 1224 110 110 ARG CA C 55.667 0.300 1 1225 110 110 ARG HA H 4.786 0.030 1 1226 110 110 ARG CB C 32.404 0.300 1 1227 110 110 ARG HB2 H 1.721 0.030 2 1228 110 110 ARG HB3 H 1.865 0.030 2 1229 110 110 ARG CG C 27.590 0.300 1 1230 110 110 ARG HG2 H 1.559 0.030 2 1231 110 110 ARG HG3 H 1.763 0.030 2 1232 110 110 ARG CD C 43.575 0.300 1 1233 110 110 ARG HD2 H 3.340 0.030 2 1234 110 110 ARG HD3 H 3.189 0.030 2 1235 110 110 ARG NE N 83.987 0.300 1 1236 110 110 ARG HE H 7.823 0.030 1 1237 110 110 ARG C C 174.387 0.300 1 1238 111 111 MET N N 122.471 0.300 1 1239 111 111 MET H H 8.665 0.030 1 1240 111 111 MET CA C 54.151 0.300 1 1241 111 111 MET HA H 5.167 0.030 1 1242 111 111 MET CB C 35.735 0.300 1 1243 111 111 MET HB2 H 2.090 0.030 1 1244 111 111 MET HB3 H 2.090 0.030 1 1245 111 111 MET CG C 31.355 0.300 1 1246 111 111 MET HG2 H 2.365 0.030 2 1247 111 111 MET HG3 H 2.540 0.030 2 1248 111 111 MET CE C 16.323 0.300 1 1249 111 111 MET HE H 1.547 0.030 1 1250 111 111 MET C C 174.924 0.300 1 1251 112 112 GLU N N 119.500 0.300 1 1252 112 112 GLU H H 7.951 0.030 1 1253 112 112 GLU CA C 53.909 0.300 1 1254 112 112 GLU HA H 5.662 0.030 1 1255 112 112 GLU CB C 35.198 0.300 1 1256 112 112 GLU HB2 H 1.680 0.030 2 1257 112 112 GLU HB3 H 2.315 0.030 2 1258 112 112 GLU CG C 35.940 0.300 1 1259 112 112 GLU HG2 H 2.187 0.030 2 1260 112 112 GLU HG3 H 2.077 0.030 2 1261 112 112 GLU C C 174.483 0.300 1 1262 113 113 PHE N N 115.033 0.300 1 1263 113 113 PHE H H 9.278 0.030 1 1264 113 113 PHE CA C 55.857 0.300 1 1265 113 113 PHE HA H 6.262 0.030 1 1266 113 113 PHE CB C 43.656 0.300 1 1267 113 113 PHE HB2 H 3.169 0.030 2 1268 113 113 PHE HB3 H 2.946 0.030 2 1269 113 113 PHE CD1 C 132.402 0.300 1 1270 113 113 PHE HD1 H 6.771 0.030 1 1271 113 113 PHE CD2 C 132.402 0.300 1 1272 113 113 PHE HD2 H 6.771 0.030 1 1273 113 113 PHE CE1 C 130.438 0.300 1 1274 113 113 PHE HE1 H 6.742 0.030 1 1275 113 113 PHE CE2 C 130.438 0.300 1 1276 113 113 PHE HE2 H 6.742 0.030 1 1277 113 113 PHE CZ C 128.606 0.300 1 1278 113 113 PHE HZ H 6.896 0.030 1 1279 113 113 PHE C C 172.253 0.300 1 1280 114 114 ALA N N 121.461 0.300 1 1281 114 114 ALA H H 9.475 0.030 1 1282 114 114 ALA CA C 50.860 0.300 1 1283 114 114 ALA HA H 5.026 0.030 1 1284 114 114 ALA CB C 23.129 0.300 1 1285 114 114 ALA HB H 1.715 0.030 1 1286 114 114 ALA C C 174.903 0.300 1 1287 115 115 VAL N N 120.899 0.300 1 1288 115 115 VAL H H 8.928 0.030 1 1289 115 115 VAL CA C 61.379 0.300 1 1290 115 115 VAL HA H 4.798 0.030 1 1291 115 115 VAL CB C 34.712 0.300 1 1292 115 115 VAL HB H 2.271 0.030 1 1293 115 115 VAL CG1 C 22.817 0.300 2 1294 115 115 VAL HG1 H 0.789 0.030 1 1295 115 115 VAL CG2 C 20.779 0.300 2 1296 115 115 VAL HG2 H 1.053 0.030 1 1297 115 115 VAL C C 174.444 0.300 1 1298 116 116 TYR N N 123.426 0.300 1 1299 116 116 TYR H H 8.963 0.030 1 1300 116 116 TYR CA C 55.480 0.300 1 1301 116 116 TYR HA H 5.081 0.030 1 1302 116 116 TYR CB C 38.928 0.300 1 1303 116 116 TYR HB2 H 1.561 0.030 2 1304 116 116 TYR HB3 H 0.813 0.030 2 1305 116 116 TYR CD1 C 133.308 0.300 1 1306 116 116 TYR HD1 H 6.343 0.030 1 1307 116 116 TYR CD2 C 133.308 0.300 1 1308 116 116 TYR HD2 H 6.343 0.030 1 1309 116 116 TYR CE1 C 116.915 0.300 1 1310 116 116 TYR HE1 H 6.483 0.030 1 1311 116 116 TYR CE2 C 116.915 0.300 1 1312 116 116 TYR HE2 H 6.483 0.030 1 1313 116 116 TYR C C 172.208 0.300 1 1314 117 117 TYR N N 123.249 0.300 1 1315 117 117 TYR H H 8.858 0.030 1 1316 117 117 TYR CA C 52.371 0.300 1 1317 117 117 TYR HA H 5.528 0.030 1 1318 117 117 TYR CB C 41.509 0.300 1 1319 117 117 TYR HB2 H 2.636 0.030 2 1320 117 117 TYR HB3 H 2.912 0.030 2 1321 117 117 TYR CD1 C 132.029 0.300 1 1322 117 117 TYR HD1 H 6.881 0.030 1 1323 117 117 TYR CD2 C 132.029 0.300 1 1324 117 117 TYR HD2 H 6.881 0.030 1 1325 117 117 TYR CE1 C 118.544 0.300 1 1326 117 117 TYR HE1 H 6.612 0.030 1 1327 117 117 TYR CE2 C 118.544 0.300 1 1328 117 117 TYR HE2 H 6.612 0.030 1 1329 117 117 TYR C C 173.159 0.300 1 1330 118 118 GLU N N 127.681 0.300 1 1331 118 118 GLU H H 9.368 0.030 1 1332 118 118 GLU CA C 54.179 0.300 1 1333 118 118 GLU HA H 5.085 0.030 1 1334 118 118 GLU CB C 32.099 0.300 1 1335 118 118 GLU HB2 H 1.815 0.030 2 1336 118 118 GLU HB3 H 1.855 0.030 2 1337 118 118 GLU CG C 36.216 0.300 1 1338 118 118 GLU HG2 H 2.044 0.030 1 1339 118 118 GLU HG3 H 2.044 0.030 1 1340 118 118 GLU C C 175.565 0.300 1 1341 119 119 CYS N N 122.152 0.300 1 1342 119 119 CYS H H 8.323 0.030 1 1343 119 119 CYS CA C 58.248 0.300 1 1344 119 119 CYS HA H 4.479 0.030 1 1345 119 119 CYS CB C 29.065 0.300 1 1346 119 119 CYS HB2 H 2.497 0.030 2 1347 119 119 CYS HB3 H 2.291 0.030 2 1348 119 119 CYS C C 174.586 0.300 1 1349 120 120 ASN N N 126.917 0.300 1 1350 120 120 ASN H H 9.858 0.030 1 1351 120 120 ASN CA C 53.735 0.300 1 1352 120 120 ASN HA H 4.342 0.030 1 1353 120 120 ASN CB C 37.873 0.300 1 1354 120 120 ASN HB2 H 3.100 0.030 2 1355 120 120 ASN HB3 H 2.377 0.030 2 1356 120 120 ASN ND2 N 111.570 0.300 1 1357 120 120 ASN HD21 H 7.498 0.030 2 1358 120 120 ASN HD22 H 6.610 0.030 2 1359 120 120 ASN C C 174.943 0.300 1 1360 121 121 GLY N N 104.866 0.300 1 1361 121 121 GLY H H 8.776 0.030 1 1362 121 121 GLY CA C 45.586 0.300 1 1363 121 121 GLY HA2 H 4.041 0.030 2 1364 121 121 GLY HA3 H 3.553 0.030 2 1365 121 121 GLY C C 173.804 0.300 1 1366 122 122 GLN N N 119.988 0.300 1 1367 122 122 GLN H H 7.677 0.030 1 1368 122 122 GLN CA C 53.624 0.300 1 1369 122 122 GLN HA H 4.395 0.030 1 1370 122 122 GLN CB C 31.456 0.300 1 1371 122 122 GLN HB2 H 1.642 0.030 2 1372 122 122 GLN HB3 H 1.518 0.030 2 1373 122 122 GLN CG C 33.480 0.300 1 1374 122 122 GLN HG2 H 2.133 0.030 1 1375 122 122 GLN HG3 H 2.133 0.030 1 1376 122 122 GLN NE2 N 112.770 0.300 1 1377 122 122 GLN HE21 H 6.787 0.030 2 1378 122 122 GLN HE22 H 7.390 0.030 2 1379 122 122 GLN C C 174.029 0.300 1 1380 123 123 THR N N 116.337 0.300 1 1381 123 123 THR H H 7.990 0.030 1 1382 123 123 THR CA C 61.935 0.300 1 1383 123 123 THR HA H 4.620 0.030 1 1384 123 123 THR CB C 70.005 0.300 1 1385 123 123 THR HB H 3.685 0.030 1 1386 123 123 THR CG2 C 22.018 0.300 1 1387 123 123 THR HG2 H 0.611 0.030 1 1388 123 123 THR C C 172.596 0.300 1 1389 124 124 TYR N N 128.915 0.300 1 1390 124 124 TYR H H 9.416 0.030 1 1391 124 124 TYR CA C 56.388 0.300 1 1392 124 124 TYR HA H 4.962 0.030 1 1393 124 124 TYR CB C 40.688 0.300 1 1394 124 124 TYR HB2 H 2.781 0.030 2 1395 124 124 TYR HB3 H 3.869 0.030 2 1396 124 124 TYR CD1 C 133.459 0.300 1 1397 124 124 TYR HD1 H 6.957 0.030 1 1398 124 124 TYR CD2 C 133.459 0.300 1 1399 124 124 TYR HD2 H 6.957 0.030 1 1400 124 124 TYR CE1 C 117.443 0.300 1 1401 124 124 TYR HE1 H 6.444 0.030 1 1402 124 124 TYR CE2 C 117.443 0.300 1 1403 124 124 TYR HE2 H 6.444 0.030 1 1404 124 124 TYR C C 174.284 0.300 1 1405 125 125 TRP N N 119.850 0.300 1 1406 125 125 TRP H H 8.738 0.030 1 1407 125 125 TRP CA C 56.940 0.300 1 1408 125 125 TRP HA H 5.388 0.030 1 1409 125 125 TRP CB C 33.031 0.300 1 1410 125 125 TRP HB2 H 2.944 0.030 2 1411 125 125 TRP HB3 H 3.053 0.030 2 1412 125 125 TRP CD1 C 126.423 0.300 1 1413 125 125 TRP HD1 H 7.110 0.030 1 1414 125 125 TRP NE1 N 129.730 0.300 1 1415 125 125 TRP HE1 H 9.938 0.030 1 1416 125 125 TRP CE3 C 120.807 0.300 1 1417 125 125 TRP HE3 H 7.373 0.030 1 1418 125 125 TRP CZ2 C 114.059 0.300 1 1419 125 125 TRP HZ2 H 6.931 0.030 1 1420 125 125 TRP CZ3 C 120.171 0.300 1 1421 125 125 TRP HZ3 H 6.738 0.030 1 1422 125 125 TRP CH2 C 124.011 0.300 1 1423 125 125 TRP HH2 H 6.557 0.030 1 1424 125 125 TRP C C 176.973 0.300 1 1425 126 126 ASP N N 118.759 0.300 1 1426 126 126 ASP H H 9.436 0.030 1 1427 126 126 ASP CA C 53.968 0.300 1 1428 126 126 ASP HA H 5.213 0.030 1 1429 126 126 ASP CB C 42.641 0.300 1 1430 126 126 ASP HB2 H 2.993 0.030 2 1431 126 126 ASP HB3 H 2.821 0.030 2 1432 126 126 ASP C C 176.043 0.300 1 1433 127 127 SER N N 119.074 0.300 1 1434 127 127 SER H H 8.520 0.030 1 1435 127 127 SER CA C 55.118 0.300 1 1436 127 127 SER HA H 4.811 0.030 1 1437 127 127 SER CB C 63.866 0.300 1 1438 127 127 SER HB2 H 4.110 0.030 2 1439 127 127 SER HB3 H 3.510 0.030 2 1440 127 127 SER C C 175.840 0.300 1 1441 128 128 ASN N N 124.865 0.300 1 1442 128 128 ASN H H 9.242 0.030 1 1443 128 128 ASN CA C 53.224 0.300 1 1444 128 128 ASN HA H 4.071 0.030 1 1445 128 128 ASN CB C 34.281 0.300 1 1446 128 128 ASN HB2 H 2.187 0.030 2 1447 128 128 ASN HB3 H -0.172 0.030 2 1448 128 128 ASN ND2 N 107.840 0.300 1 1449 128 128 ASN HD21 H 6.517 0.030 2 1450 128 128 ASN HD22 H 6.759 0.030 2 1451 128 128 ASN C C 176.607 0.300 1 1452 129 129 ARG N N 114.718 0.300 1 1453 129 129 ARG H H 9.475 0.030 1 1454 129 129 ARG CA C 56.798 0.300 1 1455 129 129 ARG HA H 3.774 0.030 1 1456 129 129 ARG CB C 27.145 0.300 1 1457 129 129 ARG HB2 H 1.865 0.030 1 1458 129 129 ARG HB3 H 1.865 0.030 1 1459 129 129 ARG CG C 28.395 0.300 1 1460 129 129 ARG HG2 H 1.398 0.030 2 1461 129 129 ARG HG3 H 1.576 0.030 2 1462 129 129 ARG CD C 43.506 0.300 1 1463 129 129 ARG HD2 H 3.175 0.030 1 1464 129 129 ARG HD3 H 3.175 0.030 1 1465 129 129 ARG NE N 85.636 0.300 1 1466 129 129 ARG HE H 7.326 0.030 1 1467 129 129 ARG C C 176.132 0.300 1 1468 130 130 GLY N N 106.337 0.300 1 1469 130 130 GLY H H 7.568 0.030 1 1470 130 130 GLY CA C 44.896 0.300 1 1471 130 130 GLY HA2 H 4.103 0.030 2 1472 130 130 GLY HA3 H 3.425 0.030 2 1473 130 130 GLY C C 174.521 0.300 1 1474 131 131 LYS N N 119.902 0.300 1 1475 131 131 LYS H H 7.278 0.030 1 1476 131 131 LYS CA C 57.336 0.300 1 1477 131 131 LYS HA H 4.132 0.030 1 1478 131 131 LYS CB C 33.719 0.300 1 1479 131 131 LYS HB2 H 1.869 0.030 2 1480 131 131 LYS HB3 H 1.918 0.030 2 1481 131 131 LYS CG C 24.984 0.300 1 1482 131 131 LYS HG2 H 1.393 0.030 2 1483 131 131 LYS HG3 H 1.451 0.030 2 1484 131 131 LYS CD C 28.815 0.300 1 1485 131 131 LYS HD2 H 1.647 0.030 1 1486 131 131 LYS HD3 H 1.647 0.030 1 1487 131 131 LYS CE C 42.151 0.300 1 1488 131 131 LYS HE2 H 2.981 0.030 1 1489 131 131 LYS HE3 H 2.981 0.030 1 1490 131 131 LYS C C 177.813 0.300 1 1491 132 132 ASN N N 107.489 0.300 1 1492 132 132 ASN H H 8.268 0.030 1 1493 132 132 ASN CA C 54.717 0.300 1 1494 132 132 ASN HA H 3.691 0.030 1 1495 132 132 ASN CB C 39.462 0.300 1 1496 132 132 ASN HB2 H 3.432 0.030 2 1497 132 132 ASN HB3 H 2.593 0.030 2 1498 132 132 ASN ND2 N 111.250 0.300 1 1499 132 132 ASN HD21 H 6.198 0.030 2 1500 132 132 ASN HD22 H 7.278 0.030 2 1501 132 132 ASN C C 172.611 0.300 1 1502 133 133 TYR N N 120.541 0.300 1 1503 133 133 TYR H H 8.696 0.030 1 1504 133 133 TYR CA C 58.334 0.300 1 1505 133 133 TYR HA H 3.879 0.030 1 1506 133 133 TYR CB C 35.955 0.300 1 1507 133 133 TYR HB2 H 0.462 0.030 2 1508 133 133 TYR HB3 H 1.348 0.030 2 1509 133 133 TYR CD2 C 133.073 0.300 3 1510 133 133 TYR HD2 H 6.289 0.030 3 1511 133 133 TYR CE1 C 118.612 0.300 3 1512 133 133 TYR HE1 H 6.197 0.030 3 1513 133 133 TYR CE2 C 115.374 0.300 3 1514 133 133 TYR HE2 H 6.437 0.030 3 1515 133 133 TYR C C 175.026 0.300 1 1516 134 134 ARG N N 123.205 0.300 1 1517 134 134 ARG H H 8.584 0.030 1 1518 134 134 ARG CA C 56.025 0.300 1 1519 134 134 ARG HA H 5.043 0.030 1 1520 134 134 ARG CB C 32.734 0.300 1 1521 134 134 ARG HB2 H 2.079 0.030 1 1522 134 134 ARG HB3 H 2.079 0.030 1 1523 134 134 ARG CG C 27.510 0.300 1 1524 134 134 ARG HG2 H 1.674 0.030 2 1525 134 134 ARG HG3 H 1.806 0.030 2 1526 134 134 ARG CD C 43.945 0.300 1 1527 134 134 ARG HD2 H 3.329 0.030 1 1528 134 134 ARG HD3 H 3.329 0.030 1 1529 134 134 ARG NE N 84.858 0.300 1 1530 134 134 ARG HE H 7.595 0.030 1 1531 134 134 ARG C C 174.511 0.300 1 1532 135 135 ILE N N 124.430 0.300 1 1533 135 135 ILE H H 8.429 0.030 1 1534 135 135 ILE CA C 61.078 0.300 1 1535 135 135 ILE HA H 4.797 0.030 1 1536 135 135 ILE CB C 39.875 0.300 1 1537 135 135 ILE HB H 1.805 0.030 1 1538 135 135 ILE CG1 C 27.999 0.300 1 1539 135 135 ILE HG12 H 1.158 0.030 2 1540 135 135 ILE HG13 H 1.763 0.030 2 1541 135 135 ILE CG2 C 19.298 0.300 1 1542 135 135 ILE HG2 H 0.820 0.030 1 1543 135 135 ILE CD1 C 15.094 0.300 1 1544 135 135 ILE HD1 H 0.942 0.030 1 1545 135 135 ILE C C 175.279 0.300 1 1546 136 136 ILE N N 120.496 0.300 1 1547 136 136 ILE H H 9.000 0.030 1 1548 136 136 ILE CA C 59.359 0.300 1 1549 136 136 ILE HA H 5.028 0.030 1 1550 136 136 ILE CB C 42.170 0.300 1 1551 136 136 ILE HB H 2.040 0.030 1 1552 136 136 ILE CG1 C 26.819 0.300 1 1553 136 136 ILE HG12 H 0.982 0.030 2 1554 136 136 ILE HG13 H 1.406 0.030 2 1555 136 136 ILE CG2 C 17.729 0.300 1 1556 136 136 ILE HG2 H 0.964 0.030 1 1557 136 136 ILE CD1 C 13.457 0.300 1 1558 136 136 ILE HD1 H 0.799 0.030 1 1559 136 136 ILE C C 175.144 0.300 1 1560 137 137 ARG N N 122.183 0.300 1 1561 137 137 ARG H H 8.535 0.030 1 1562 137 137 ARG CA C 56.339 0.300 1 1563 137 137 ARG HA H 4.402 0.030 1 1564 137 137 ARG CB C 30.696 0.300 1 1565 137 137 ARG HB2 H 1.827 0.030 2 1566 137 137 ARG HB3 H 1.652 0.030 2 1567 137 137 ARG CG C 28.175 0.300 1 1568 137 137 ARG HG2 H 1.441 0.030 2 1569 137 137 ARG HG3 H 1.597 0.030 2 1570 137 137 ARG CD C 43.333 0.300 1 1571 137 137 ARG HD2 H 3.075 0.030 1 1572 137 137 ARG HD3 H 3.075 0.030 1 1573 137 137 ARG NE N 84.981 0.300 1 1574 137 137 ARG HE H 7.461 0.030 1 1575 137 137 ARG C C 176.646 0.300 1 1576 138 138 ALA N N 126.694 0.300 1 1577 138 138 ALA H H 8.353 0.030 1 1578 138 138 ALA CA C 52.808 0.300 1 1579 138 138 ALA HA H 4.134 0.030 1 1580 138 138 ALA CB C 19.536 0.300 1 1581 138 138 ALA HB H 1.212 0.030 1 1582 138 138 ALA C C 177.637 0.300 1 1583 139 139 GLU N N 119.890 0.300 1 1584 139 139 GLU H H 8.615 0.030 1 1585 139 139 GLU CA C 56.586 0.300 1 1586 139 139 GLU HA H 4.268 0.030 1 1587 139 139 GLU CB C 30.137 0.300 1 1588 139 139 GLU HB2 H 1.927 0.030 2 1589 139 139 GLU HB3 H 1.996 0.030 2 1590 139 139 GLU CG C 36.113 0.300 1 1591 139 139 GLU HG2 H 2.192 0.030 2 1592 139 139 GLU HG3 H 2.264 0.030 2 1593 139 139 GLU C C 176.488 0.300 1 1594 140 140 LEU N N 123.350 0.300 1 1595 140 140 LEU H H 8.224 0.030 1 1596 140 140 LEU CA C 55.185 0.300 1 1597 140 140 LEU HA H 4.339 0.030 1 1598 140 140 LEU CB C 42.294 0.300 1 1599 140 140 LEU HB2 H 1.671 0.030 2 1600 140 140 LEU HB3 H 1.595 0.030 2 1601 140 140 LEU CG C 27.128 0.300 1 1602 140 140 LEU HG H 1.578 0.030 1 1603 140 140 LEU CD1 C 25.072 0.300 2 1604 140 140 LEU HD1 H 0.936 0.030 1 1605 140 140 LEU CD2 C 23.501 0.300 2 1606 140 140 LEU HD2 H 0.858 0.030 1 1607 140 140 LEU C C 177.456 0.300 1 1608 141 141 LYS N N 122.155 0.300 1 1609 141 141 LYS H H 8.239 0.030 1 1610 141 141 LYS CA C 56.480 0.300 1 1611 141 141 LYS HA H 4.309 0.030 1 1612 141 141 LYS CB C 32.976 0.300 1 1613 141 141 LYS HB2 H 1.744 0.030 2 1614 141 141 LYS HB3 H 1.861 0.030 2 1615 141 141 LYS CG C 24.820 0.300 1 1616 141 141 LYS HG2 H 1.442 0.030 1 1617 141 141 LYS HG3 H 1.442 0.030 1 1618 141 141 LYS CD C 29.080 0.300 1 1619 141 141 LYS HD2 H 1.666 0.030 1 1620 141 141 LYS HD3 H 1.666 0.030 1 1621 141 141 LYS CE C 42.178 0.300 1 1622 141 141 LYS HE2 H 2.968 0.030 1 1623 141 141 LYS HE3 H 2.968 0.030 1 1624 141 141 LYS C C 176.734 0.300 1 1625 142 142 SER N N 116.816 0.300 1 1626 142 142 SER H H 8.369 0.030 1 1627 142 142 SER CA C 58.425 0.300 1 1628 142 142 SER HA H 4.529 0.030 1 1629 142 142 SER CB C 63.836 0.300 1 1630 142 142 SER HB2 H 3.932 0.030 1 1631 142 142 SER HB3 H 3.932 0.030 1 1632 142 142 SER C C 175.185 0.300 1 1633 143 143 THR N N 115.566 0.300 1 1634 143 143 THR H H 8.235 0.030 1 1635 143 143 THR CA C 61.999 0.300 1 1636 143 143 THR HA H 4.389 0.030 1 1637 143 143 THR CB C 69.634 0.300 1 1638 143 143 THR HB H 4.316 0.030 1 1639 143 143 THR CG2 C 21.757 0.300 1 1640 143 143 THR HG2 H 1.212 0.030 1 1641 143 143 THR C C 174.937 0.300 1 1642 144 144 GLN N N 122.469 0.300 1 1643 144 144 GLN H H 8.345 0.030 1 1644 144 144 GLN CA C 56.480 0.300 1 1645 144 144 GLN HA H 4.307 0.030 1 1646 144 144 GLN CB C 29.307 0.300 1 1647 144 144 GLN HB2 H 2.127 0.030 2 1648 144 144 GLN HB3 H 2.016 0.030 2 1649 144 144 GLN CG C 33.805 0.300 1 1650 144 144 GLN HG2 H 2.389 0.030 1 1651 144 144 GLN HG3 H 2.389 0.030 1 1652 144 144 GLN NE2 N 112.356 0.300 1 1653 144 144 GLN HE21 H 7.603 0.030 2 1654 144 144 GLN HE22 H 6.895 0.030 2 1655 144 144 GLN C C 176.536 0.300 1 1656 145 145 GLY N N 110.021 0.300 1 1657 145 145 GLY H H 8.461 0.030 1 1658 145 145 GLY CA C 45.355 0.300 1 1659 145 145 GLY HA2 H 3.967 0.030 1 1660 145 145 GLY HA3 H 3.967 0.030 1 1661 145 145 GLY C C 174.123 0.300 1 1662 146 146 MET N N 119.836 0.300 1 1663 146 146 MET H H 8.197 0.030 1 1664 146 146 MET CA C 55.594 0.300 1 1665 146 146 MET HA H 4.538 0.030 1 1666 146 146 MET CB C 33.090 0.300 1 1667 146 146 MET HB2 H 2.025 0.030 2 1668 146 146 MET HB3 H 2.110 0.030 2 1669 146 146 MET CG C 32.029 0.300 1 1670 146 146 MET HG2 H 2.524 0.030 2 1671 146 146 MET HG3 H 2.595 0.030 2 1672 146 146 MET CE C 16.998 0.300 1 1673 146 146 MET HE H 2.101 0.030 1 1674 146 146 MET C C 176.454 0.300 1 1675 147 147 THR N N 116.248 0.300 1 1676 147 147 THR H H 8.239 0.030 1 1677 147 147 THR CA C 61.959 0.300 1 1678 147 147 THR HA H 4.318 0.030 1 1679 147 147 THR CB C 69.875 0.300 1 1680 147 147 THR HB H 4.154 0.030 1 1681 147 147 THR CG2 C 21.703 0.300 1 1682 147 147 THR HG2 H 1.215 0.030 1 1683 147 147 THR C C 174.141 0.300 1 1684 148 148 LYS N N 125.399 0.300 1 1685 148 148 LYS H H 8.387 0.030 1 1686 148 148 LYS CA C 54.186 0.300 1 1687 148 148 LYS HA H 4.617 0.030 1 1688 148 148 LYS CB C 32.651 0.300 1 1689 148 148 LYS HB2 H 1.719 0.030 2 1690 148 148 LYS HB3 H 1.814 0.030 2 1691 148 148 LYS CG C 24.549 0.300 1 1692 148 148 LYS HG2 H 1.453 0.030 1 1693 148 148 LYS HG3 H 1.453 0.030 1 1694 148 148 LYS CD C 29.294 0.300 1 1695 148 148 LYS HD2 H 1.652 0.030 1 1696 148 148 LYS HD3 H 1.652 0.030 1 1697 148 148 LYS CE C 42.134 0.300 1 1698 148 148 LYS HE2 H 3.009 0.030 1 1699 148 148 LYS HE3 H 3.009 0.030 1 1700 148 148 LYS C C 174.388 0.300 1 1701 149 149 PRO CA C 63.178 0.300 1 1702 149 149 PRO HA H 4.406 0.030 1 1703 149 149 PRO CB C 32.164 0.300 1 1704 149 149 PRO HB2 H 2.260 0.030 2 1705 149 149 PRO HB3 H 1.847 0.030 2 1706 149 149 PRO CG C 27.370 0.300 1 1707 149 149 PRO HG2 H 1.994 0.030 1 1708 149 149 PRO HG3 H 1.994 0.030 1 1709 149 149 PRO CD C 50.696 0.300 1 1710 149 149 PRO HD2 H 3.819 0.030 2 1711 149 149 PRO HD3 H 3.635 0.030 2 1712 150 150 HIS CA C 56.264 0.300 1 1713 150 150 HIS HA H 4.626 0.030 1 1714 150 150 HIS CB C 30.574 0.300 1 1715 150 150 HIS HB2 H 3.146 0.030 2 1716 150 150 HIS CD2 C 120.043 0.300 1 1717 150 150 HIS HD2 H 7.081 0.030 1 1718 150 150 HIS CE1 C 138.131 0.300 1 1719 150 150 HIS HE1 H 7.976 0.030 1 1720 151 151 SER CA C 58.018 0.300 1 1721 151 151 SER HA H 4.475 0.030 1 1722 151 151 SER CB C 64.139 0.300 1 1723 151 151 SER HB2 H 3.840 0.030 2 1724 151 151 SER C C 174.253 0.300 1 1725 152 152 GLY N N 110.964 0.300 1 1726 152 152 GLY H H 8.276 0.030 1 1727 152 152 GLY CA C 44.637 0.300 1 1728 152 152 GLY HA2 H 4.120 0.030 1 1729 152 152 GLY HA3 H 4.120 0.030 1 1730 152 152 GLY C C 171.668 0.300 1 1731 153 153 PRO CA C 63.147 0.300 1 1732 153 153 PRO HA H 4.425 0.030 1 1733 153 153 PRO CB C 32.149 0.300 1 1734 153 153 PRO HB2 H 2.257 0.030 2 1735 153 153 PRO HB3 H 1.910 0.030 2 1736 153 153 PRO CG C 27.071 0.300 1 1737 153 153 PRO HG2 H 1.993 0.030 1 1738 153 153 PRO HG3 H 1.993 0.030 1 1739 153 153 PRO CD C 49.742 0.300 1 1740 153 153 PRO HD2 H 3.597 0.030 2 1741 153 153 PRO HD3 H 3.654 0.030 2 1742 153 153 PRO C C 176.656 0.300 1 1743 154 154 ASP N N 120.420 0.300 1 1744 154 154 ASP H H 8.463 0.030 1 1745 154 154 ASP CA C 54.429 0.300 1 1746 154 154 ASP HA H 4.575 0.030 1 1747 154 154 ASP CB C 40.979 0.300 1 1748 154 154 ASP HB2 H 2.732 0.030 2 1749 154 154 ASP HB3 H 2.579 0.030 2 1750 154 154 ASP C C 176.163 0.300 1 1751 155 155 LEU N N 123.563 0.300 1 1752 155 155 LEU H H 8.266 0.030 1 1753 155 155 LEU CA C 55.022 0.300 1 1754 155 155 LEU HA H 4.358 0.030 1 1755 155 155 LEU CB C 42.157 0.300 1 1756 155 155 LEU HB2 H 1.667 0.030 2 1757 155 155 LEU HB3 H 1.597 0.030 2 1758 155 155 LEU CG C 27.185 0.300 1 1759 155 155 LEU HG H 1.576 0.030 1 1760 155 155 LEU CD1 C 25.187 0.300 2 1761 155 155 LEU HD1 H 0.902 0.030 1 1762 155 155 LEU CD2 C 23.066 0.300 2 1763 155 155 LEU HD2 H 0.831 0.030 1 1764 155 155 LEU C C 176.990 0.300 1 1765 156 156 GLY N N 115.518 0.300 1 1766 156 156 GLY H H 8.034 0.030 1 1767 156 156 GLY CA C 46.176 0.300 1 1768 156 156 GLY HA2 H 3.703 0.030 2 1769 156 156 GLY HA3 H 3.761 0.030 2 1770 156 156 GLY C C 179.148 0.300 1 stop_ save_