data_10318 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; "Solution structure of the PTB domain of KIAA1075 protein from human" ; _BMRB_accession_number 10318 _BMRB_flat_file_name bmr10318.str _Entry_type new _Submission_date 2009-03-11 _Accession_date 2009-03-11 _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 Li H. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 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" 861 "13C chemical shifts" 653 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-11 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '"Solution structure of the PTB domain of KIAA1075 protein from human"' _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 Li H. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 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 'KIAA1075 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PTB domain' $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 'PTB domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; GSSGSSGMSTAADLLRQGAA CSVLYLTSVETESLTGPQAV ARASSAALSCSPRPTPAVVH FKVSAQGITLTDNQRKLFFR RHYPVNSITFSSTDPQDRRW TNPDGTTSKIFGFVAKKPGS PWENVCHLFAELDPDQPAGA IVTFITKVLLGQRKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 SER 10 THR 11 ALA 12 ALA 13 ASP 14 LEU 15 LEU 16 ARG 17 GLN 18 GLY 19 ALA 20 ALA 21 CYS 22 SER 23 VAL 24 LEU 25 TYR 26 LEU 27 THR 28 SER 29 VAL 30 GLU 31 THR 32 GLU 33 SER 34 LEU 35 THR 36 GLY 37 PRO 38 GLN 39 ALA 40 VAL 41 ALA 42 ARG 43 ALA 44 SER 45 SER 46 ALA 47 ALA 48 LEU 49 SER 50 CYS 51 SER 52 PRO 53 ARG 54 PRO 55 THR 56 PRO 57 ALA 58 VAL 59 VAL 60 HIS 61 PHE 62 LYS 63 VAL 64 SER 65 ALA 66 GLN 67 GLY 68 ILE 69 THR 70 LEU 71 THR 72 ASP 73 ASN 74 GLN 75 ARG 76 LYS 77 LEU 78 PHE 79 PHE 80 ARG 81 ARG 82 HIS 83 TYR 84 PRO 85 VAL 86 ASN 87 SER 88 ILE 89 THR 90 PHE 91 SER 92 SER 93 THR 94 ASP 95 PRO 96 GLN 97 ASP 98 ARG 99 ARG 100 TRP 101 THR 102 ASN 103 PRO 104 ASP 105 GLY 106 THR 107 THR 108 SER 109 LYS 110 ILE 111 PHE 112 GLY 113 PHE 114 VAL 115 ALA 116 LYS 117 LYS 118 PRO 119 GLY 120 SER 121 PRO 122 TRP 123 GLU 124 ASN 125 VAL 126 CYS 127 HIS 128 LEU 129 PHE 130 ALA 131 GLU 132 LEU 133 ASP 134 PRO 135 ASP 136 GLN 137 PRO 138 ALA 139 GLY 140 ALA 141 ILE 142 VAL 143 THR 144 PHE 145 ILE 146 THR 147 LYS 148 VAL 149 LEU 150 LEU 151 GLY 152 GLN 153 ARG 154 LYS 155 SER 156 GLY 157 PRO 158 SER 159 SER 160 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 BMRB 17364 PTB_domian 91.88 147 100.00 100.00 3.19e-103 PDB 2DKQ "Solution Structure Of The Ptb Domain Of Kiaa1075 Protein From Human" 100.00 160 100.00 100.00 5.80e-112 PDB 2LOZ "The Novel Binding Mode Of Dlc1 And Tensin2 Ptb Domain" 91.88 147 100.00 100.00 3.19e-103 PDB 3HQC "Crystal Structure Of Phosphotyrosine-binding Domain From The Human Tensin-like C1 Domain-containing Phosphatase (tenc1)" 93.13 157 97.99 98.66 2.16e-102 DBJ BAA83027 "KIAA1075 protein [Homo sapiens]" 93.13 1505 98.66 99.33 3.63e-92 DBJ BAG09960 "tensin-like C1 domain-containing phosphatase [synthetic construct]" 93.13 1409 98.66 99.33 1.66e-92 DBJ BAG54765 "unnamed protein product [Homo sapiens]" 70.63 781 100.00 100.00 9.32e-71 EMBL CAB70815 "hypothetical protein [Homo sapiens]" 91.88 649 98.64 98.64 6.78e-94 EMBL CAH56176 "hypothetical protein [Homo sapiens]" 93.13 1398 98.66 99.33 1.65e-92 GB AAH54099 "TENC1 protein, partial [Homo sapiens]" 93.13 949 98.66 99.33 4.43e-94 GB AAI10855 "TENC1 protein, partial [Homo sapiens]" 93.13 1291 98.66 99.33 9.66e-93 GB AAI29829 "TENC1 protein [Homo sapiens]" 93.13 1285 98.66 99.33 9.77e-93 GB AAI29830 "TENC1 protein [Homo sapiens]" 93.13 1285 98.66 99.33 9.68e-93 GB AAI31504 "TENC1 protein, partial [Homo sapiens]" 93.13 183 98.66 99.33 7.20e-103 REF NP_056134 "tensin-2 isoform 1 [Homo sapiens]" 93.13 1419 98.66 99.33 1.94e-92 REF NP_736610 "tensin-2 isoform 2 [Homo sapiens]" 93.13 1409 98.66 99.33 1.68e-92 REF NP_938072 "tensin-2 isoform 3 [Homo sapiens]" 93.13 1285 98.66 99.33 9.77e-93 REF XP_001102202 "PREDICTED: tensin-like C1 domain-containing phosphatase isoform 3 [Macaca mulatta]" 93.13 1398 98.66 99.33 1.21e-92 REF XP_001790253 "PREDICTED: tensin-like C1 domain-containing phosphatase isoform X5 [Bos taurus]" 93.13 1409 98.66 98.66 1.64e-91 SP Q63HR2 "RecName: Full=Tensin-2; AltName: Full=C1 domain-containing phosphatase and tensin homolog; Short=C1-TEN; AltName: Full=Tensin-l" 93.13 1409 98.66 99.33 1.68e-92 TPG DAA29990 "TPA: C1 domain-containing phosphatase and tensin-like protein splice-like [Bos taurus]" 93.13 1409 98.66 98.66 1.64e-91 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 P050829-22 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 0.57 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.932 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 'Guntert, 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 _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 15N-separated NOESY' '3D 13C-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 'PTB domain' _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 HA H 4.512 0.030 1 2 6 6 SER HB2 H 3.919 0.030 2 3 6 6 SER C C 175.138 0.300 1 4 6 6 SER CA C 58.835 0.300 1 5 6 6 SER CB C 63.676 0.300 1 6 7 7 GLY H H 8.441 0.030 1 7 7 7 GLY HA2 H 3.983 0.030 2 8 7 7 GLY C C 174.238 0.300 1 9 7 7 GLY CA C 45.445 0.300 1 10 7 7 GLY N N 110.719 0.300 1 11 8 8 MET H H 8.201 0.030 1 12 8 8 MET HA H 4.537 0.030 1 13 8 8 MET HB2 H 1.987 0.030 2 14 8 8 MET HE H 2.058 0.030 1 15 8 8 MET C C 176.450 0.300 1 16 8 8 MET CA C 55.536 0.300 1 17 8 8 MET CB C 33.008 0.300 1 18 8 8 MET CE C 17.028 0.300 1 19 8 8 MET CG C 32.103 0.300 1 20 8 8 MET N N 119.827 0.300 1 21 9 9 SER H H 8.417 0.030 1 22 9 9 SER HA H 4.565 0.030 1 23 9 9 SER HB2 H 3.896 0.030 1 24 9 9 SER HB3 H 3.896 0.030 1 25 9 9 SER C C 174.824 0.300 1 26 9 9 SER CA C 58.640 0.300 1 27 9 9 SER CB C 63.963 0.300 1 28 9 9 SER N N 117.312 0.300 1 29 10 10 THR H H 8.445 0.030 1 30 10 10 THR HA H 4.384 0.030 1 31 10 10 THR HB H 4.396 0.030 1 32 10 10 THR HG2 H 1.252 0.030 1 33 10 10 THR C C 175.125 0.300 1 34 10 10 THR CA C 62.010 0.300 1 35 10 10 THR CB C 70.130 0.300 1 36 10 10 THR CG2 C 21.826 0.300 1 37 10 10 THR N N 115.668 0.300 1 38 11 11 ALA H H 8.445 0.030 1 39 11 11 ALA HA H 4.096 0.030 1 40 11 11 ALA HB H 1.397 0.030 1 41 11 11 ALA C C 178.705 0.300 1 42 11 11 ALA CA C 54.425 0.300 1 43 11 11 ALA CB C 18.455 0.300 1 44 11 11 ALA N N 124.692 0.300 1 45 12 12 ALA H H 8.164 0.030 1 46 12 12 ALA HA H 4.084 0.030 1 47 12 12 ALA HB H 1.394 0.030 1 48 12 12 ALA C C 179.462 0.300 1 49 12 12 ALA CA C 54.383 0.300 1 50 12 12 ALA CB C 18.578 0.300 1 51 12 12 ALA N N 120.506 0.300 1 52 13 13 ASP H H 7.955 0.030 1 53 13 13 ASP HA H 4.455 0.030 1 54 13 13 ASP HB2 H 2.726 0.030 1 55 13 13 ASP HB3 H 2.726 0.030 1 56 13 13 ASP C C 178.076 0.300 1 57 13 13 ASP CA C 56.136 0.300 1 58 13 13 ASP CB C 40.859 0.300 1 59 13 13 ASP N N 118.845 0.300 1 60 14 14 LEU H H 8.028 0.030 1 61 14 14 LEU HA H 4.106 0.030 1 62 14 14 LEU HB2 H 1.775 0.030 2 63 14 14 LEU HB3 H 1.485 0.030 2 64 14 14 LEU HD1 H 0.845 0.030 1 65 14 14 LEU HD2 H 0.846 0.030 1 66 14 14 LEU HG H 1.686 0.030 1 67 14 14 LEU C C 179.260 0.300 1 68 14 14 LEU CA C 57.335 0.300 1 69 14 14 LEU CB C 41.954 0.300 1 70 14 14 LEU CD1 C 25.297 0.300 2 71 14 14 LEU CD2 C 23.314 0.300 2 72 14 14 LEU CG C 26.961 0.300 1 73 14 14 LEU N N 121.244 0.300 1 74 15 15 LEU H H 8.045 0.030 1 75 15 15 LEU HA H 4.108 0.030 1 76 15 15 LEU HB2 H 1.566 0.030 2 77 15 15 LEU HB3 H 1.481 0.030 2 78 15 15 LEU HD1 H 0.789 0.030 1 79 15 15 LEU HG H 1.575 0.030 1 80 15 15 LEU C C 178.395 0.300 1 81 15 15 LEU CA C 57.000 0.300 1 82 15 15 LEU CB C 41.326 0.300 1 83 15 15 LEU CD1 C 24.154 0.300 2 84 15 15 LEU CD2 C 24.292 0.300 2 85 15 15 LEU CG C 27.088 0.300 1 86 15 15 LEU N N 119.280 0.300 1 87 16 16 ARG H H 7.740 0.030 1 88 16 16 ARG HA H 4.125 0.030 1 89 16 16 ARG HB2 H 1.937 0.030 1 90 16 16 ARG HB3 H 1.937 0.030 1 91 16 16 ARG HD2 H 3.231 0.030 1 92 16 16 ARG HD3 H 3.231 0.030 1 93 16 16 ARG HG2 H 1.737 0.030 2 94 16 16 ARG HG3 H 1.628 0.030 2 95 16 16 ARG C C 177.575 0.300 1 96 16 16 ARG CA C 58.200 0.300 1 97 16 16 ARG CB C 30.335 0.300 1 98 16 16 ARG CD C 43.285 0.300 1 99 16 16 ARG CG C 27.663 0.300 1 100 16 16 ARG N N 118.514 0.300 1 101 17 17 GLN H H 7.931 0.030 1 102 17 17 GLN HA H 4.236 0.030 1 103 17 17 GLN HB2 H 2.215 0.030 2 104 17 17 GLN HB3 H 2.148 0.030 2 105 17 17 GLN HE21 H 7.477 0.030 2 106 17 17 GLN HE22 H 6.856 0.030 2 107 17 17 GLN HG2 H 2.457 0.030 1 108 17 17 GLN HG3 H 2.457 0.030 1 109 17 17 GLN C C 177.136 0.300 1 110 17 17 GLN CA C 57.081 0.300 1 111 17 17 GLN CB C 29.513 0.300 1 112 17 17 GLN CG C 34.087 0.300 1 113 17 17 GLN N N 117.649 0.300 1 114 17 17 GLN NE2 N 111.724 0.300 1 115 18 18 GLY H H 7.939 0.030 1 116 18 18 GLY HA2 H 4.132 0.030 2 117 18 18 GLY HA3 H 3.649 0.030 2 118 18 18 GLY C C 171.928 0.300 1 119 18 18 GLY CA C 45.022 0.300 1 120 18 18 GLY N N 107.282 0.300 1 121 19 19 ALA H H 8.096 0.030 1 122 19 19 ALA HA H 4.355 0.030 1 123 19 19 ALA HB H 0.678 0.030 1 124 19 19 ALA C C 175.271 0.300 1 125 19 19 ALA CA C 51.390 0.300 1 126 19 19 ALA CB C 20.971 0.300 1 127 19 19 ALA N N 121.541 0.300 1 128 20 20 ALA H H 8.265 0.030 1 129 20 20 ALA HA H 5.396 0.030 1 130 20 20 ALA HB H 1.242 0.030 1 131 20 20 ALA C C 176.521 0.300 1 132 20 20 ALA CA C 51.108 0.300 1 133 20 20 ALA CB C 22.237 0.300 1 134 20 20 ALA N N 122.016 0.300 1 135 21 21 CYS H H 8.669 0.030 1 136 21 21 CYS HA H 4.843 0.030 1 137 21 21 CYS HB2 H 3.046 0.030 2 138 21 21 CYS HB3 H 2.977 0.030 2 139 21 21 CYS C C 172.556 0.300 1 140 21 21 CYS CA C 56.577 0.300 1 141 21 21 CYS CB C 30.471 0.300 1 142 21 21 CYS N N 116.135 0.300 1 143 22 22 SER H H 8.782 0.030 1 144 22 22 SER HA H 5.596 0.030 1 145 22 22 SER HB2 H 3.815 0.030 2 146 22 22 SER HB3 H 3.736 0.030 2 147 22 22 SER C C 173.527 0.300 1 148 22 22 SER CA C 58.447 0.300 1 149 22 22 SER CB C 64.184 0.300 1 150 22 22 SER N N 117.656 0.300 1 151 23 23 VAL H H 8.916 0.030 1 152 23 23 VAL HA H 4.816 0.030 1 153 23 23 VAL HB H 2.426 0.030 1 154 23 23 VAL HG1 H 0.859 0.030 1 155 23 23 VAL HG2 H 0.887 0.030 1 156 23 23 VAL C C 173.457 0.300 1 157 23 23 VAL CA C 59.488 0.300 1 158 23 23 VAL CB C 36.708 0.300 1 159 23 23 VAL CG1 C 22.740 0.300 2 160 23 23 VAL CG2 C 21.166 0.300 2 161 23 23 VAL N N 115.759 0.300 1 162 24 24 LEU H H 8.701 0.030 1 163 24 24 LEU HA H 4.997 0.030 1 164 24 24 LEU HB2 H 1.496 0.030 2 165 24 24 LEU HB3 H 1.205 0.030 2 166 24 24 LEU HD1 H 0.817 0.030 1 167 24 24 LEU HD2 H 0.730 0.030 1 168 24 24 LEU HG H 1.387 0.030 1 169 24 24 LEU C C 176.991 0.300 1 170 24 24 LEU CA C 53.613 0.300 1 171 24 24 LEU CB C 43.450 0.300 1 172 24 24 LEU CD1 C 24.950 0.300 2 173 24 24 LEU CD2 C 24.646 0.300 2 174 24 24 LEU CG C 26.546 0.300 1 175 24 24 LEU N N 119.342 0.300 1 176 25 25 TYR H H 9.654 0.030 1 177 25 25 TYR HA H 4.457 0.030 1 178 25 25 TYR HB2 H 3.076 0.030 2 179 25 25 TYR HB3 H 3.026 0.030 2 180 25 25 TYR HD1 H 6.598 0.030 1 181 25 25 TYR HD2 H 6.598 0.030 1 182 25 25 TYR HE1 H 6.465 0.030 1 183 25 25 TYR HE2 H 6.465 0.030 1 184 25 25 TYR C C 173.794 0.300 1 185 25 25 TYR CA C 57.882 0.300 1 186 25 25 TYR CB C 39.471 0.300 1 187 25 25 TYR CD1 C 132.987 0.300 1 188 25 25 TYR CD2 C 132.987 0.300 1 189 25 25 TYR CE1 C 117.094 0.300 1 190 25 25 TYR CE2 C 117.094 0.300 1 191 25 25 TYR N N 125.413 0.300 1 192 26 26 LEU H H 7.984 0.030 1 193 26 26 LEU HA H 3.615 0.030 1 194 26 26 LEU HB2 H 0.084 0.030 2 195 26 26 LEU HB3 H 0.817 0.030 2 196 26 26 LEU HD1 H 0.003 0.030 1 197 26 26 LEU HD2 H -0.954 0.030 1 198 26 26 LEU HG H 0.777 0.030 1 199 26 26 LEU C C 174.105 0.300 1 200 26 26 LEU CA C 55.492 0.300 1 201 26 26 LEU CB C 42.843 0.300 1 202 26 26 LEU CD1 C 24.738 0.300 2 203 26 26 LEU CD2 C 19.657 0.300 2 204 26 26 LEU CG C 25.467 0.300 1 205 26 26 LEU N N 125.271 0.300 1 206 27 27 THR H H 6.348 0.030 1 207 27 27 THR HA H 3.896 0.030 1 208 27 27 THR HB H 4.133 0.030 1 209 27 27 THR HG2 H 0.596 0.030 1 210 27 27 THR C C 170.433 0.300 1 211 27 27 THR CA C 60.228 0.300 1 212 27 27 THR CB C 65.813 0.300 1 213 27 27 THR CG2 C 18.318 0.300 1 214 27 27 THR N N 106.956 0.300 1 215 28 28 SER H H 7.773 0.030 1 216 28 28 SER HA H 5.324 0.030 1 217 28 28 SER HB2 H 3.476 0.030 1 218 28 28 SER HB3 H 3.476 0.030 1 219 28 28 SER C C 172.760 0.300 1 220 28 28 SER CA C 57.970 0.300 1 221 28 28 SER CB C 63.840 0.300 1 222 28 28 SER N N 118.407 0.300 1 223 29 29 VAL H H 8.835 0.030 1 224 29 29 VAL HA H 4.246 0.030 1 225 29 29 VAL HB H 1.624 0.030 1 226 29 29 VAL HG1 H 0.797 0.030 1 227 29 29 VAL HG2 H 0.824 0.030 1 228 29 29 VAL C C 174.852 0.300 1 229 29 29 VAL CA C 60.440 0.300 1 230 29 29 VAL CB C 36.065 0.300 1 231 29 29 VAL CG1 C 20.442 0.300 2 232 29 29 VAL CG2 C 20.852 0.300 2 233 29 29 VAL N N 124.690 0.300 1 234 30 30 GLU H H 9.013 0.030 1 235 30 30 GLU HA H 4.337 0.030 1 236 30 30 GLU HB2 H 2.451 0.030 2 237 30 30 GLU HB3 H 1.995 0.030 2 238 30 30 GLU HG2 H 2.452 0.030 2 239 30 30 GLU HG3 H 2.178 0.030 2 240 30 30 GLU C C 177.299 0.300 1 241 30 30 GLU CA C 58.104 0.300 1 242 30 30 GLU CB C 29.143 0.300 1 243 30 30 GLU CG C 37.119 0.300 1 244 30 30 GLU N N 128.462 0.300 1 245 31 31 THR H H 8.328 0.030 1 246 31 31 THR HA H 4.446 0.030 1 247 31 31 THR HB H 4.446 0.030 1 248 31 31 THR HG2 H 0.934 0.030 1 249 31 31 THR C C 174.322 0.300 1 250 31 31 THR CA C 61.252 0.300 1 251 31 31 THR CB C 67.633 0.300 1 252 31 31 THR CG2 C 21.332 0.300 1 253 31 31 THR N N 112.958 0.300 1 254 32 32 GLU H H 8.785 0.030 1 255 32 32 GLU HA H 3.975 0.030 1 256 32 32 GLU HB2 H 2.436 0.030 2 257 32 32 GLU HB3 H 2.274 0.030 2 258 32 32 GLU HG2 H 2.306 0.030 2 259 32 32 GLU HG3 H 2.217 0.030 2 260 32 32 GLU C C 176.240 0.300 1 261 32 32 GLU CA C 58.447 0.300 1 262 32 32 GLU CB C 27.581 0.300 1 263 32 32 GLU CG C 37.243 0.300 1 264 32 32 GLU N N 121.513 0.300 1 265 33 33 SER H H 8.315 0.030 1 266 33 33 SER HA H 4.572 0.030 1 267 33 33 SER HB2 H 4.105 0.030 2 268 33 33 SER HB3 H 4.045 0.030 2 269 33 33 SER C C 174.430 0.300 1 270 33 33 SER CA C 58.941 0.300 1 271 33 33 SER CB C 63.678 0.300 1 272 33 33 SER N N 116.632 0.300 1 273 34 34 LEU H H 8.297 0.030 1 274 34 34 LEU HA H 4.305 0.030 1 275 34 34 LEU HB2 H 1.756 0.030 2 276 34 34 LEU HB3 H 1.447 0.030 2 277 34 34 LEU HD1 H 0.855 0.030 1 278 34 34 LEU HD2 H 0.775 0.030 1 279 34 34 LEU HG H 1.716 0.030 1 280 34 34 LEU C C 176.432 0.300 1 281 34 34 LEU CA C 55.695 0.300 1 282 34 34 LEU CB C 43.060 0.300 1 283 34 34 LEU CD1 C 24.903 0.300 2 284 34 34 LEU CD2 C 23.835 0.300 2 285 34 34 LEU CG C 26.941 0.300 1 286 34 34 LEU N N 123.943 0.300 1 287 35 35 THR H H 8.107 0.030 1 288 35 35 THR HA H 4.296 0.030 1 289 35 35 THR HB H 3.997 0.030 1 290 35 35 THR HG2 H 1.108 0.030 1 291 35 35 THR C C 174.205 0.300 1 292 35 35 THR CA C 59.082 0.300 1 293 35 35 THR CB C 70.642 0.300 1 294 35 35 THR CG2 C 20.346 0.300 1 295 35 35 THR N N 115.325 0.300 1 296 36 36 GLY H H 7.737 0.030 1 297 36 36 GLY HA2 H 3.493 0.030 2 298 36 36 GLY HA3 H 2.006 0.030 2 299 36 36 GLY C C 172.170 0.300 1 300 36 36 GLY CA C 44.909 0.300 1 301 36 36 GLY N N 107.048 0.300 1 302 37 37 PRO HA H 4.037 0.030 1 303 37 37 PRO HB2 H 1.946 0.030 2 304 37 37 PRO HB3 H 2.445 0.030 2 305 37 37 PRO HD2 H 2.835 0.030 2 306 37 37 PRO HD3 H 3.616 0.030 2 307 37 37 PRO HG2 H 2.116 0.030 2 308 37 37 PRO HG3 H 2.076 0.030 2 309 37 37 PRO C C 178.881 0.300 1 310 37 37 PRO CA C 65.510 0.300 1 311 37 37 PRO CB C 31.810 0.300 1 312 37 37 PRO CD C 49.832 0.300 1 313 37 37 PRO CG C 27.511 0.300 1 314 38 38 GLN H H 8.304 0.030 1 315 38 38 GLN HA H 4.036 0.030 1 316 38 38 GLN HB2 H 2.174 0.030 2 317 38 38 GLN HB3 H 2.018 0.030 2 318 38 38 GLN HE21 H 7.557 0.030 2 319 38 38 GLN HE22 H 6.883 0.030 2 320 38 38 GLN HG2 H 2.448 0.030 1 321 38 38 GLN HG3 H 2.448 0.030 1 322 38 38 GLN CA C 58.742 0.300 1 323 38 38 GLN CB C 28.461 0.300 1 324 38 38 GLN CG C 34.405 0.300 1 325 38 38 GLN N N 114.430 0.300 1 326 38 38 GLN NE2 N 112.218 0.300 1 327 39 39 ALA H H 7.548 0.030 1 328 39 39 ALA HA H 3.840 0.030 1 329 39 39 ALA HB H 1.239 0.030 1 330 39 39 ALA C C 178.453 0.300 1 331 39 39 ALA CA C 55.236 0.300 1 332 39 39 ALA CB C 18.245 0.300 1 333 39 39 ALA N N 122.744 0.300 1 334 40 40 VAL H H 7.194 0.030 1 335 40 40 VAL HA H 3.956 0.030 1 336 40 40 VAL HB H 2.029 0.030 1 337 40 40 VAL HG1 H 0.779 0.030 1 338 40 40 VAL HG2 H 1.044 0.030 1 339 40 40 VAL C C 178.893 0.300 1 340 40 40 VAL CA C 65.909 0.300 1 341 40 40 VAL CB C 31.674 0.300 1 342 40 40 VAL CG1 C 20.961 0.300 2 343 40 40 VAL CG2 C 21.471 0.300 2 344 40 40 VAL N N 117.076 0.300 1 345 41 41 ALA H H 8.576 0.030 1 346 41 41 ALA HA H 4.059 0.030 1 347 41 41 ALA HB H 1.457 0.030 1 348 41 41 ALA C C 179.981 0.300 1 349 41 41 ALA CA C 55.075 0.300 1 350 41 41 ALA CB C 18.103 0.300 1 351 41 41 ALA N N 122.190 0.300 1 352 42 42 ARG H H 8.015 0.030 1 353 42 42 ARG HA H 4.083 0.030 1 354 42 42 ARG HB2 H 1.936 0.030 2 355 42 42 ARG HB3 H 1.845 0.030 2 356 42 42 ARG HD2 H 3.145 0.030 2 357 42 42 ARG HD3 H 3.026 0.030 2 358 42 42 ARG HG2 H 1.623 0.030 2 359 42 42 ARG HG3 H 1.525 0.030 2 360 42 42 ARG C C 178.854 0.300 1 361 42 42 ARG CA C 58.676 0.300 1 362 42 42 ARG CB C 29.719 0.300 1 363 42 42 ARG CD C 43.331 0.300 1 364 42 42 ARG CG C 27.051 0.300 1 365 42 42 ARG N N 118.996 0.300 1 366 43 43 ALA H H 8.167 0.030 1 367 43 43 ALA HA H 3.904 0.030 1 368 43 43 ALA HB H 1.355 0.030 1 369 43 43 ALA C C 178.395 0.300 1 370 43 43 ALA CA C 55.077 0.300 1 371 43 43 ALA CB C 19.277 0.300 1 372 43 43 ALA N N 122.322 0.300 1 373 44 44 SER H H 8.513 0.030 1 374 44 44 SER HA H 3.465 0.030 1 375 44 44 SER HB2 H 4.046 0.030 2 376 44 44 SER HB3 H 3.978 0.030 2 377 44 44 SER C C 175.809 0.300 1 378 44 44 SER CA C 62.829 0.300 1 379 44 44 SER CB C 62.751 0.300 1 380 44 44 SER N N 115.480 0.300 1 381 45 45 SER H H 8.305 0.030 1 382 45 45 SER HA H 4.074 0.030 1 383 45 45 SER HB2 H 4.108 0.030 2 384 45 45 SER HB3 H 3.926 0.030 2 385 45 45 SER C C 176.986 0.300 1 386 45 45 SER CA C 61.714 0.300 1 387 45 45 SER CB C 62.730 0.300 1 388 45 45 SER N N 116.239 0.300 1 389 46 46 ALA H H 7.963 0.030 1 390 46 46 ALA HA H 4.056 0.030 1 391 46 46 ALA HB H 1.486 0.030 1 392 46 46 ALA C C 179.802 0.300 1 393 46 46 ALA CA C 55.062 0.300 1 394 46 46 ALA CB C 18.017 0.300 1 395 46 46 ALA N N 124.950 0.300 1 396 47 47 ALA H H 8.366 0.030 1 397 47 47 ALA HA H 3.995 0.030 1 398 47 47 ALA HB H 1.227 0.030 1 399 47 47 ALA C C 178.782 0.300 1 400 47 47 ALA CA C 54.954 0.300 1 401 47 47 ALA CB C 18.578 0.300 1 402 47 47 ALA N N 120.241 0.300 1 403 48 48 LEU H H 7.915 0.030 1 404 48 48 LEU HA H 4.297 0.030 1 405 48 48 LEU HB2 H 1.552 0.030 2 406 48 48 LEU HB3 H 1.802 0.030 2 407 48 48 LEU HD1 H 0.961 0.030 1 408 48 48 LEU HD2 H 0.756 0.030 1 409 48 48 LEU HG H 1.866 0.030 1 410 48 48 LEU C C 178.440 0.300 1 411 48 48 LEU CA C 56.118 0.300 1 412 48 48 LEU CB C 42.339 0.300 1 413 48 48 LEU CD1 C 23.306 0.300 2 414 48 48 LEU CD2 C 25.941 0.300 2 415 48 48 LEU CG C 27.561 0.300 1 416 48 48 LEU N N 112.925 0.300 1 417 49 49 SER H H 7.714 0.030 1 418 49 49 SER HA H 4.634 0.030 1 419 49 49 SER HB2 H 3.956 0.030 2 420 49 49 SER HB3 H 3.879 0.030 2 421 49 49 SER C C 174.368 0.300 1 422 49 49 SER CA C 58.694 0.300 1 423 49 49 SER CB C 64.991 0.300 1 424 49 49 SER N N 112.182 0.300 1 425 50 50 CYS H H 7.624 0.030 1 426 50 50 CYS HA H 4.387 0.030 1 427 50 50 CYS HB2 H 3.064 0.030 2 428 50 50 CYS HB3 H 2.987 0.030 2 429 50 50 CYS C C 173.333 0.300 1 430 50 50 CYS CA C 59.082 0.300 1 431 50 50 CYS CB C 28.321 0.300 1 432 50 50 CYS N N 120.889 0.300 1 433 51 51 SER H H 8.356 0.030 1 434 51 51 SER HA H 4.690 0.030 1 435 51 51 SER HB2 H 3.742 0.030 2 436 51 51 SER HB3 H 3.636 0.030 2 437 51 51 SER CA C 58.660 0.300 1 438 51 51 SER CB C 64.596 0.300 1 439 51 51 SER N N 116.997 0.300 1 440 52 52 PRO HA H 4.784 0.030 1 441 52 52 PRO HB2 H 2.418 0.030 2 442 52 52 PRO HB3 H 2.054 0.030 2 443 52 52 PRO HD2 H 3.576 0.030 2 444 52 52 PRO HD3 H 3.525 0.030 2 445 52 52 PRO HG2 H 1.827 0.030 2 446 52 52 PRO HG3 H 1.935 0.030 2 447 52 52 PRO C C 176.143 0.300 1 448 52 52 PRO CA C 62.857 0.300 1 449 52 52 PRO CB C 34.340 0.300 1 450 52 52 PRO CD C 50.174 0.300 1 451 52 52 PRO CG C 25.081 0.300 1 452 53 53 ARG H H 8.677 0.030 1 453 53 53 ARG HA H 4.513 0.030 1 454 53 53 ARG HB2 H 1.918 0.030 2 455 53 53 ARG HB3 H 1.818 0.030 2 456 53 53 ARG HD2 H 3.148 0.030 1 457 53 53 ARG HD3 H 3.148 0.030 1 458 53 53 ARG HG2 H 2.016 0.030 2 459 53 53 ARG HG3 H 1.918 0.030 2 460 53 53 ARG C C 174.787 0.300 1 461 53 53 ARG CA C 54.954 0.300 1 462 53 53 ARG CB C 29.591 0.300 1 463 53 53 ARG CD C 43.223 0.300 1 464 53 53 ARG CG C 27.251 0.300 1 465 53 53 ARG N N 122.479 0.300 1 466 54 54 PRO HA H 4.431 0.030 1 467 54 54 PRO HB2 H 2.255 0.030 2 468 54 54 PRO HB3 H 1.696 0.030 2 469 54 54 PRO HD2 H 4.055 0.030 2 470 54 54 PRO HD3 H 3.948 0.030 2 471 54 54 PRO HG2 H 1.887 0.030 1 472 54 54 PRO HG3 H 1.887 0.030 1 473 54 54 PRO C C 175.635 0.300 1 474 54 54 PRO CA C 63.153 0.300 1 475 54 54 PRO CB C 32.129 0.300 1 476 54 54 PRO CD C 51.194 0.300 1 477 54 54 PRO CG C 27.307 0.300 1 478 55 55 THR H H 8.626 0.030 1 479 55 55 THR HA H 4.688 0.030 1 480 55 55 THR HB H 4.175 0.030 1 481 55 55 THR HG2 H 1.285 0.030 1 482 55 55 THR C C 172.897 0.300 1 483 55 55 THR CA C 59.038 0.300 1 484 55 55 THR CB C 69.933 0.300 1 485 55 55 THR CG2 C 21.234 0.300 1 486 55 55 THR N N 118.799 0.300 1 487 56 56 PRO HA H 4.772 0.030 1 488 56 56 PRO HB2 H 1.887 0.030 2 489 56 56 PRO HB3 H 1.749 0.030 2 490 56 56 PRO HD2 H 3.826 0.030 2 491 56 56 PRO HD3 H 4.318 0.030 2 492 56 56 PRO HG2 H 1.698 0.030 2 493 56 56 PRO HG3 H 2.157 0.030 2 494 56 56 PRO C C 175.804 0.300 1 495 56 56 PRO CA C 62.524 0.300 1 496 56 56 PRO CB C 34.263 0.300 1 497 56 56 PRO CD C 51.320 0.300 1 498 56 56 PRO CG C 27.399 0.300 1 499 57 57 ALA H H 8.436 0.030 1 500 57 57 ALA HA H 4.784 0.030 1 501 57 57 ALA HB H 1.346 0.030 1 502 57 57 ALA C C 176.216 0.300 1 503 57 57 ALA CA C 50.791 0.300 1 504 57 57 ALA CB C 22.155 0.300 1 505 57 57 ALA N N 122.230 0.300 1 506 58 58 VAL H H 8.655 0.030 1 507 58 58 VAL HA H 4.441 0.030 1 508 58 58 VAL HB H 1.985 0.030 1 509 58 58 VAL HG1 H 0.935 0.030 1 510 58 58 VAL HG2 H 1.014 0.030 1 511 58 58 VAL C C 176.725 0.300 1 512 58 58 VAL CA C 63.894 0.300 1 513 58 58 VAL CB C 31.610 0.300 1 514 58 58 VAL CG1 C 21.250 0.300 2 515 58 58 VAL CG2 C 22.016 0.300 2 516 58 58 VAL N N 124.652 0.300 1 517 59 59 VAL H H 9.373 0.030 1 518 59 59 VAL HA H 5.146 0.030 1 519 59 59 VAL HB H 2.188 0.030 1 520 59 59 VAL HG1 H 0.960 0.030 1 521 59 59 VAL HG2 H 1.134 0.030 1 522 59 59 VAL C C 173.866 0.300 1 523 59 59 VAL CA C 58.684 0.300 1 524 59 59 VAL CB C 35.827 0.300 1 525 59 59 VAL CG1 C 22.311 0.300 2 526 59 59 VAL CG2 C 21.021 0.300 2 527 59 59 VAL N N 121.634 0.300 1 528 60 60 HIS H H 9.184 0.030 1 529 60 60 HIS HA H 4.903 0.030 1 530 60 60 HIS HB2 H 3.133 0.030 1 531 60 60 HIS HB3 H 3.133 0.030 1 532 60 60 HIS HD2 H 6.995 0.030 1 533 60 60 HIS HE1 H 7.555 0.030 1 534 60 60 HIS C C 173.721 0.300 1 535 60 60 HIS CA C 57.388 0.300 1 536 60 60 HIS CB C 32.031 0.300 1 537 60 60 HIS CD2 C 118.739 0.300 1 538 60 60 HIS CE1 C 137.802 0.300 1 539 60 60 HIS N N 123.036 0.300 1 540 61 61 PHE H H 9.203 0.030 1 541 61 61 PHE HA H 4.634 0.030 1 542 61 61 PHE HB2 H 3.635 0.030 2 543 61 61 PHE HB3 H 2.315 0.030 2 544 61 61 PHE HD1 H 6.516 0.030 1 545 61 61 PHE HD2 H 6.516 0.030 1 546 61 61 PHE HE1 H 6.206 0.030 1 547 61 61 PHE HE2 H 6.206 0.030 1 548 61 61 PHE HZ H 6.662 0.030 1 549 61 61 PHE C C 172.946 0.300 1 550 61 61 PHE CA C 56.506 0.300 1 551 61 61 PHE CB C 42.782 0.300 1 552 61 61 PHE CD1 C 131.439 0.300 1 553 61 61 PHE CD2 C 131.439 0.300 1 554 61 61 PHE CE1 C 130.390 0.300 1 555 61 61 PHE CE2 C 130.390 0.300 1 556 61 61 PHE CZ C 127.638 0.300 1 557 61 61 PHE N N 132.885 0.300 1 558 62 62 LYS H H 8.512 0.030 1 559 62 62 LYS HA H 5.093 0.030 1 560 62 62 LYS HB2 H 1.895 0.030 2 561 62 62 LYS HB3 H 1.582 0.030 2 562 62 62 LYS HD2 H 1.614 0.030 2 563 62 62 LYS HD3 H 1.750 0.030 2 564 62 62 LYS HE2 H 2.907 0.030 1 565 62 62 LYS HE3 H 2.907 0.030 1 566 62 62 LYS HG2 H 1.337 0.030 2 567 62 62 LYS HG3 H 1.264 0.030 2 568 62 62 LYS C C 174.593 0.300 1 569 62 62 LYS CA C 54.636 0.300 1 570 62 62 LYS CB C 36.245 0.300 1 571 62 62 LYS CD C 29.791 0.300 1 572 62 62 LYS CE C 42.487 0.300 1 573 62 62 LYS CG C 25.375 0.300 1 574 62 62 LYS N N 127.505 0.300 1 575 63 63 VAL H H 9.190 0.030 1 576 63 63 VAL HA H 4.766 0.030 1 577 63 63 VAL HB H 1.974 0.030 1 578 63 63 VAL HG1 H 0.936 0.030 1 579 63 63 VAL HG2 H 0.936 0.030 1 580 63 63 VAL C C 173.665 0.300 1 581 63 63 VAL CA C 60.458 0.300 1 582 63 63 VAL CB C 33.291 0.300 1 583 63 63 VAL CG1 C 22.235 0.300 2 584 63 63 VAL CG2 C 22.155 0.300 2 585 63 63 VAL N N 125.851 0.300 1 586 64 64 SER H H 9.032 0.030 1 587 64 64 SER HA H 4.883 0.030 1 588 64 64 SER HB2 H 3.784 0.030 2 589 64 64 SER HB3 H 4.329 0.030 2 590 64 64 SER C C 173.899 0.300 1 591 64 64 SER CA C 56.736 0.300 1 592 64 64 SER CB C 67.635 0.300 1 593 64 64 SER N N 122.323 0.300 1 594 65 65 ALA H H 8.859 0.030 1 595 65 65 ALA HA H 4.026 0.030 1 596 65 65 ALA HB H 1.436 0.030 1 597 65 65 ALA C C 178.007 0.300 1 598 65 65 ALA CA C 54.619 0.300 1 599 65 65 ALA CB C 18.460 0.300 1 600 65 65 ALA N N 120.142 0.300 1 601 66 66 GLN H H 7.813 0.030 1 602 66 66 GLN HA H 4.346 0.030 1 603 66 66 GLN HB2 H 1.816 0.030 2 604 66 66 GLN HB3 H 2.241 0.030 2 605 66 66 GLN HE21 H 7.546 0.030 2 606 66 66 GLN HE22 H 6.843 0.030 2 607 66 66 GLN HG2 H 2.388 0.030 2 608 66 66 GLN HG3 H 2.348 0.030 2 609 66 66 GLN C C 177.357 0.300 1 610 66 66 GLN CA C 56.771 0.300 1 611 66 66 GLN CB C 29.431 0.300 1 612 66 66 GLN CG C 34.625 0.300 1 613 66 66 GLN N N 110.845 0.300 1 614 66 66 GLN NE2 N 112.749 0.300 1 615 67 67 GLY H H 8.013 0.030 1 616 67 67 GLY HA2 H 3.213 0.030 2 617 67 67 GLY HA3 H 5.036 0.030 2 618 67 67 GLY C C 171.541 0.300 1 619 67 67 GLY CA C 44.067 0.300 1 620 67 67 GLY N N 108.375 0.300 1 621 68 68 ILE H H 8.207 0.030 1 622 68 68 ILE HA H 4.866 0.030 1 623 68 68 ILE HB H 0.945 0.030 1 624 68 68 ILE HD1 H -0.284 0.030 1 625 68 68 ILE HG12 H 0.513 0.030 2 626 68 68 ILE HG13 H 1.153 0.030 2 627 68 68 ILE HG2 H -0.163 0.030 1 628 68 68 ILE CA C 59.784 0.300 1 629 68 68 ILE CB C 41.145 0.300 1 630 68 68 ILE CD1 C 12.479 0.300 1 631 68 68 ILE CG1 C 27.951 0.300 1 632 68 68 ILE CG2 C 16.382 0.300 1 633 68 68 ILE N N 122.125 0.300 1 634 69 69 THR H H 9.176 0.030 1 635 69 69 THR HA H 5.156 0.030 1 636 69 69 THR HB H 3.736 0.030 1 637 69 69 THR HG2 H 1.066 0.030 1 638 69 69 THR CA C 61.481 0.300 1 639 69 69 THR CB C 71.157 0.300 1 640 69 69 THR CG2 C 22.379 0.300 1 641 69 69 THR N N 123.614 0.300 1 642 70 70 LEU H H 9.503 0.030 1 643 70 70 LEU HA H 5.616 0.030 1 644 70 70 LEU HB2 H 1.926 0.030 2 645 70 70 LEU HB3 H 1.334 0.030 2 646 70 70 LEU HD1 H 0.928 0.030 1 647 70 70 LEU HD2 H 0.578 0.030 1 648 70 70 LEU HG H 1.676 0.030 1 649 70 70 LEU CA C 52.343 0.300 1 650 70 70 LEU CB C 44.828 0.300 1 651 70 70 LEU CD1 C 26.734 0.300 2 652 70 70 LEU CD2 C 24.861 0.300 2 653 70 70 LEU CG C 27.215 0.300 1 654 70 70 LEU N N 127.960 0.300 1 655 71 71 THR H H 9.133 0.030 1 656 71 71 THR HA H 5.246 0.030 1 657 71 71 THR HB H 4.072 0.030 1 658 71 71 THR HG2 H 0.981 0.030 1 659 71 71 THR CA C 61.622 0.300 1 660 71 71 THR CB C 71.331 0.300 1 661 71 71 THR CG2 C 21.514 0.300 1 662 71 71 THR N N 117.611 0.300 1 663 72 72 ASP H H 9.088 0.030 1 664 72 72 ASP HA H 4.934 0.030 1 665 72 72 ASP HB2 H 3.138 0.030 1 666 72 72 ASP HB3 H 3.138 0.030 1 667 72 72 ASP C C 177.306 0.300 1 668 72 72 ASP CA C 52.449 0.300 1 669 72 72 ASP CB C 40.555 0.300 1 670 72 72 ASP N N 126.815 0.300 1 671 73 73 ASN H H 8.819 0.030 1 672 73 73 ASN HA H 4.597 0.030 1 673 73 73 ASN HB2 H 2.799 0.030 2 674 73 73 ASN HB3 H 2.835 0.030 2 675 73 73 ASN HD21 H 6.825 0.030 2 676 73 73 ASN HD22 H 7.560 0.030 2 677 73 73 ASN C C 176.894 0.300 1 678 73 73 ASN CA C 55.947 0.300 1 679 73 73 ASN CB C 38.622 0.300 1 680 73 73 ASN N N 123.296 0.300 1 681 73 73 ASN ND2 N 112.067 0.300 1 682 74 74 GLN H H 8.598 0.030 1 683 74 74 GLN HA H 4.313 0.030 1 684 74 74 GLN HB2 H 2.212 0.030 1 685 74 74 GLN HB3 H 2.212 0.030 1 686 74 74 GLN HE21 H 7.689 0.030 2 687 74 74 GLN HE22 H 6.882 0.030 2 688 74 74 GLN HG2 H 2.466 0.030 2 689 74 74 GLN HG3 H 2.376 0.030 2 690 74 74 GLN C C 175.659 0.300 1 691 74 74 GLN CA C 56.083 0.300 1 692 74 74 GLN CB C 28.997 0.300 1 693 74 74 GLN CG C 34.581 0.300 1 694 74 74 GLN N N 116.550 0.300 1 695 74 74 GLN NE2 N 112.574 0.300 1 696 75 75 ARG H H 7.986 0.030 1 697 75 75 ARG HA H 4.174 0.030 1 698 75 75 ARG HB2 H 1.768 0.030 1 699 75 75 ARG HB3 H 1.768 0.030 1 700 75 75 ARG HD2 H 3.024 0.030 2 701 75 75 ARG HD3 H 2.966 0.030 2 702 75 75 ARG HG2 H 1.544 0.030 2 703 75 75 ARG HG3 H 1.477 0.030 2 704 75 75 ARG C C 176.216 0.300 1 705 75 75 ARG CA C 56.083 0.300 1 706 75 75 ARG CB C 27.581 0.300 1 707 75 75 ARG CD C 43.575 0.300 1 708 75 75 ARG CG C 28.234 0.300 1 709 75 75 ARG N N 117.646 0.300 1 710 76 76 LYS H H 8.296 0.030 1 711 76 76 LYS HA H 3.996 0.030 1 712 76 76 LYS HB2 H 1.778 0.030 1 713 76 76 LYS HB3 H 1.778 0.030 1 714 76 76 LYS HD2 H 1.695 0.030 1 715 76 76 LYS HD3 H 1.695 0.030 1 716 76 76 LYS HE2 H 2.988 0.030 1 717 76 76 LYS HE3 H 2.988 0.030 1 718 76 76 LYS HG2 H 1.456 0.030 2 719 76 76 LYS HG3 H 1.356 0.030 2 720 76 76 LYS C C 177.645 0.300 1 721 76 76 LYS CA C 59.142 0.300 1 722 76 76 LYS CB C 32.323 0.300 1 723 76 76 LYS CD C 28.831 0.300 1 724 76 76 LYS CE C 42.211 0.300 1 725 76 76 LYS CG C 24.915 0.300 1 726 76 76 LYS N N 120.432 0.300 1 727 77 77 LEU H H 9.136 0.030 1 728 77 77 LEU HA H 4.446 0.030 1 729 77 77 LEU HB2 H 1.568 0.030 1 730 77 77 LEU HB3 H 1.568 0.030 1 731 77 77 LEU HD1 H 1.037 0.030 1 732 77 77 LEU HD2 H 0.954 0.030 1 733 77 77 LEU HG H 1.504 0.030 1 734 77 77 LEU C C 176.725 0.300 1 735 77 77 LEU CA C 55.297 0.300 1 736 77 77 LEU CB C 44.604 0.300 1 737 77 77 LEU CD1 C 25.673 0.300 2 738 77 77 LEU CD2 C 23.181 0.300 2 739 77 77 LEU CG C 27.215 0.300 1 740 78 78 PHE H H 7.842 0.030 1 741 78 78 PHE HA H 4.635 0.030 1 742 78 78 PHE HB2 H 3.266 0.030 2 743 78 78 PHE HB3 H 3.007 0.030 2 744 78 78 PHE HD1 H 6.750 0.030 1 745 78 78 PHE HD2 H 6.750 0.030 1 746 78 78 PHE HE1 H 6.696 0.030 1 747 78 78 PHE HE2 H 6.696 0.030 1 748 78 78 PHE HZ H 6.626 0.030 1 749 78 78 PHE CA C 55.871 0.300 1 750 78 78 PHE CB C 38.927 0.300 1 751 78 78 PHE CD1 C 132.948 0.300 1 752 78 78 PHE CD2 C 132.948 0.300 1 753 78 78 PHE CE1 C 130.175 0.300 1 754 78 78 PHE CE2 C 130.175 0.300 1 755 78 78 PHE CZ C 128.701 0.300 1 756 78 78 PHE N N 115.943 0.300 1 757 79 79 PHE H H 8.646 0.030 1 758 79 79 PHE HA H 5.496 0.030 1 759 79 79 PHE HB2 H 3.176 0.030 1 760 79 79 PHE HB3 H 3.176 0.030 1 761 79 79 PHE HD1 H 7.334 0.030 1 762 79 79 PHE HD2 H 7.334 0.030 1 763 79 79 PHE HE1 H 7.267 0.030 1 764 79 79 PHE HE2 H 7.267 0.030 1 765 79 79 PHE HZ H 7.197 0.030 1 766 79 79 PHE CA C 57.116 0.300 1 767 79 79 PHE CB C 38.981 0.300 1 768 79 79 PHE CD1 C 131.535 0.300 1 769 79 79 PHE CD2 C 131.535 0.300 1 770 79 79 PHE CE1 C 131.094 0.300 1 771 79 79 PHE CE2 C 131.094 0.300 1 772 79 79 PHE CZ C 129.722 0.300 1 773 80 80 ARG H H 7.870 0.030 1 774 80 80 ARG HA H 5.492 0.030 1 775 80 80 ARG HB2 H 1.165 0.030 2 776 80 80 ARG HB3 H 1.355 0.030 2 777 80 80 ARG HD2 H 2.837 0.030 1 778 80 80 ARG HD3 H 2.837 0.030 1 779 80 80 ARG HG2 H 0.964 0.030 2 780 80 80 ARG HG3 H 1.167 0.030 2 781 80 80 ARG C C 175.756 0.300 1 782 80 80 ARG CA C 54.565 0.300 1 783 80 80 ARG CB C 33.528 0.300 1 784 80 80 ARG CD C 43.636 0.300 1 785 80 80 ARG CG C 27.123 0.300 1 786 80 80 ARG N N 118.239 0.300 1 787 81 81 ARG H H 8.836 0.030 1 788 81 81 ARG HA H 4.319 0.030 1 789 81 81 ARG HB2 H 1.316 0.030 2 790 81 81 ARG HB3 H 0.869 0.030 2 791 81 81 ARG HD2 H 2.613 0.030 1 792 81 81 ARG HD3 H 2.613 0.030 1 793 81 81 ARG HG2 H 1.157 0.030 2 794 81 81 ARG HG3 H 0.798 0.030 2 795 81 81 ARG C C 173.285 0.300 1 796 81 81 ARG CA C 55.201 0.300 1 797 81 81 ARG CB C 34.871 0.300 1 798 81 81 ARG CD C 43.499 0.300 1 799 81 81 ARG CG C 27.123 0.300 1 800 81 81 ARG N N 124.423 0.300 1 801 82 82 HIS H H 8.368 0.030 1 802 82 82 HIS HA H 5.205 0.030 1 803 82 82 HIS HB2 H 2.745 0.030 2 804 82 82 HIS HB3 H 2.597 0.030 2 805 82 82 HIS HD2 H 6.725 0.030 1 806 82 82 HIS HE1 H 6.958 0.030 1 807 82 82 HIS C C 172.946 0.300 1 808 82 82 HIS CA C 54.954 0.300 1 809 82 82 HIS CB C 33.207 0.300 1 810 82 82 HIS CE1 C 137.204 0.300 1 811 82 82 HIS N N 121.900 0.300 1 812 83 83 TYR H H 8.613 0.030 1 813 83 83 TYR HA H 4.523 0.030 1 814 83 83 TYR HB2 H 2.540 0.030 1 815 83 83 TYR HB3 H 2.540 0.030 1 816 83 83 TYR HD1 H 6.885 0.030 1 817 83 83 TYR HD2 H 6.885 0.030 1 818 83 83 TYR HE1 H 6.286 0.030 1 819 83 83 TYR HE2 H 6.286 0.030 1 820 83 83 TYR CA C 54.264 0.300 1 821 83 83 TYR CB C 38.809 0.300 1 822 83 83 TYR CD1 C 133.224 0.300 1 823 83 83 TYR CD2 C 133.224 0.300 1 824 83 83 TYR CE1 C 117.436 0.300 1 825 83 83 TYR CE2 C 117.436 0.300 1 826 83 83 TYR N N 126.388 0.300 1 827 84 84 PRO HA H 4.644 0.030 1 828 84 84 PRO HB2 H 2.086 0.030 2 829 84 84 PRO HB3 H 2.566 0.030 2 830 84 84 PRO HD2 H 3.702 0.030 2 831 84 84 PRO HD3 H 3.597 0.030 2 832 84 84 PRO HG2 H 2.118 0.030 2 833 84 84 PRO HG3 H 2.076 0.030 2 834 84 84 PRO C C 179.225 0.300 1 835 84 84 PRO CA C 62.046 0.300 1 836 84 84 PRO CB C 32.919 0.300 1 837 84 84 PRO CD C 51.410 0.300 1 838 84 84 PRO CG C 27.583 0.300 1 839 85 85 VAL H H 8.267 0.030 1 840 85 85 VAL HA H 3.705 0.030 1 841 85 85 VAL HB H 1.798 0.030 1 842 85 85 VAL HG1 H 1.025 0.030 1 843 85 85 VAL HG2 H 0.936 0.030 1 844 85 85 VAL C C 175.683 0.300 1 845 85 85 VAL CA C 66.103 0.300 1 846 85 85 VAL CB C 31.733 0.300 1 847 85 85 VAL CG1 C 19.402 0.300 2 848 85 85 VAL CG2 C 22.812 0.300 2 849 85 85 VAL N N 123.418 0.300 1 850 86 86 ASN H H 8.426 0.030 1 851 86 86 ASN HA H 4.565 0.030 1 852 86 86 ASN HB2 H 2.947 0.030 2 853 86 86 ASN HB3 H 2.845 0.030 2 854 86 86 ASN HD21 H 7.641 0.030 2 855 86 86 ASN HD22 H 6.869 0.030 2 856 86 86 ASN C C 175.786 0.300 1 857 86 86 ASN CA C 55.024 0.300 1 858 86 86 ASN CB C 37.406 0.300 1 859 86 86 ASN N N 116.290 0.300 1 860 86 86 ASN ND2 N 111.799 0.300 1 861 87 87 SER H H 8.323 0.030 1 862 87 87 SER HA H 4.534 0.030 1 863 87 87 SER HB2 H 4.247 0.030 2 864 87 87 SER HB3 H 4.078 0.030 2 865 87 87 SER C C 173.420 0.300 1 866 87 87 SER CA C 59.188 0.300 1 867 87 87 SER CB C 65.813 0.300 1 868 87 87 SER N N 114.080 0.300 1 869 88 88 ILE H H 7.456 0.030 1 870 88 88 ILE HA H 4.636 0.030 1 871 88 88 ILE HB H 1.857 0.030 1 872 88 88 ILE HD1 H 0.553 0.030 1 873 88 88 ILE HG12 H 0.829 0.030 2 874 88 88 ILE HG13 H 1.826 0.030 2 875 88 88 ILE HG2 H 0.925 0.030 1 876 88 88 ILE C C 176.103 0.300 1 877 88 88 ILE CA C 61.622 0.300 1 878 88 88 ILE CB C 39.062 0.300 1 879 88 88 ILE CD1 C 14.521 0.300 1 880 88 88 ILE CG1 C 27.433 0.300 1 881 88 88 ILE CG2 C 17.468 0.300 1 882 88 88 ILE N N 123.711 0.300 1 883 89 89 THR H H 8.920 0.030 1 884 89 89 THR HA H 4.766 0.030 1 885 89 89 THR HB H 4.327 0.030 1 886 89 89 THR HG2 H 1.195 0.030 1 887 89 89 THR C C 176.141 0.300 1 888 89 89 THR CA C 61.728 0.300 1 889 89 89 THR CB C 70.717 0.300 1 890 89 89 THR CG2 C 22.072 0.300 1 891 89 89 THR N N 113.464 0.300 1 892 90 90 PHE H H 7.450 0.030 1 893 90 90 PHE HA H 4.600 0.030 1 894 90 90 PHE HB2 H 2.315 0.030 2 895 90 90 PHE HB3 H 3.727 0.030 2 896 90 90 PHE HD1 H 7.104 0.030 1 897 90 90 PHE HD2 H 7.104 0.030 1 898 90 90 PHE HE1 H 7.463 0.030 1 899 90 90 PHE HE2 H 7.463 0.030 1 900 90 90 PHE HZ H 7.416 0.030 1 901 90 90 PHE C C 173.488 0.300 1 902 90 90 PHE CA C 59.452 0.300 1 903 90 90 PHE CB C 43.162 0.300 1 904 90 90 PHE CD1 C 131.409 0.300 1 905 90 90 PHE CD2 C 131.409 0.300 1 906 90 90 PHE CE1 C 132.050 0.300 1 907 90 90 PHE CE2 C 132.050 0.300 1 908 90 90 PHE CZ C 130.733 0.300 1 909 90 90 PHE N N 119.710 0.300 1 910 91 91 SER H H 7.305 0.030 1 911 91 91 SER HA H 4.900 0.030 1 912 91 91 SER HB2 H 3.258 0.030 2 913 91 91 SER HB3 H 3.824 0.030 2 914 91 91 SER C C 171.378 0.300 1 915 91 91 SER CA C 57.970 0.300 1 916 91 91 SER CB C 66.307 0.300 1 917 91 91 SER N N 119.891 0.300 1 918 92 92 SER H H 8.028 0.030 1 919 92 92 SER HA H 4.599 0.030 1 920 92 92 SER HB2 H 4.276 0.030 2 921 92 92 SER HB3 H 3.947 0.030 2 922 92 92 SER C C 175.019 0.300 1 923 92 92 SER CA C 59.112 0.300 1 924 92 92 SER CB C 66.060 0.300 1 925 92 92 SER N N 115.166 0.300 1 926 93 93 THR H H 8.447 0.030 1 927 93 93 THR HA H 4.966 0.030 1 928 93 93 THR HB H 4.689 0.030 1 929 93 93 THR HG2 H 1.223 0.030 1 930 93 93 THR C C 176.725 0.300 1 931 93 93 THR CA C 62.010 0.300 1 932 93 93 THR CB C 69.513 0.300 1 933 93 93 THR CG2 C 22.745 0.300 1 934 93 93 THR N N 109.878 0.300 1 935 94 94 ASP H H 7.970 0.030 1 936 94 94 ASP HA H 4.509 0.030 1 937 94 94 ASP HB2 H 2.805 0.030 2 938 94 94 ASP HB3 H 2.666 0.030 2 939 94 94 ASP CA C 53.617 0.300 1 940 94 94 ASP CB C 42.792 0.300 1 941 94 94 ASP N N 122.395 0.300 1 942 95 95 PRO HA H 4.492 0.030 1 943 95 95 PRO HB2 H 1.965 0.030 2 944 95 95 PRO HB3 H 2.465 0.030 2 945 95 95 PRO HD2 H 3.997 0.030 2 946 95 95 PRO HD3 H 3.813 0.030 2 947 95 95 PRO HG2 H 2.186 0.030 2 948 95 95 PRO HG3 H 2.116 0.030 2 949 95 95 PRO C C 177.161 0.300 1 950 95 95 PRO CA C 64.981 0.300 1 951 95 95 PRO CB C 32.185 0.300 1 952 95 95 PRO CD C 51.792 0.300 1 953 95 95 PRO CG C 27.894 0.300 1 954 96 96 GLN H H 7.424 0.030 1 955 96 96 GLN HA H 4.386 0.030 1 956 96 96 GLN HB2 H 2.376 0.030 2 957 96 96 GLN HB3 H 1.917 0.030 2 958 96 96 GLN HE21 H 6.692 0.030 2 959 96 96 GLN HE22 H 7.416 0.030 2 960 96 96 GLN HG2 H 2.183 0.030 2 961 96 96 GLN HG3 H 2.348 0.030 2 962 96 96 GLN C C 174.932 0.300 1 963 96 96 GLN CA C 55.589 0.300 1 964 96 96 GLN CB C 28.658 0.300 1 965 96 96 GLN CG C 34.896 0.300 1 966 96 96 GLN N N 114.530 0.300 1 967 96 96 GLN NE2 N 110.211 0.300 1 968 97 97 ASP H H 8.316 0.030 1 969 97 97 ASP HA H 4.504 0.030 1 970 97 97 ASP HB2 H 3.096 0.030 2 971 97 97 ASP HB3 H 2.436 0.030 2 972 97 97 ASP C C 175.334 0.300 1 973 97 97 ASP CA C 55.276 0.300 1 974 97 97 ASP CB C 39.996 0.300 1 975 97 97 ASP N N 117.778 0.300 1 976 98 98 ARG H H 8.742 0.030 1 977 98 98 ARG HA H 4.233 0.030 1 978 98 98 ARG HB2 H 1.765 0.030 2 979 98 98 ARG HB3 H 1.735 0.030 2 980 98 98 ARG HD2 H 2.886 0.030 2 981 98 98 ARG HD3 H 3.135 0.030 2 982 98 98 ARG HG2 H 1.499 0.030 1 983 98 98 ARG HG3 H 1.499 0.030 1 984 98 98 ARG C C 176.056 0.300 1 985 98 98 ARG CA C 57.053 0.300 1 986 98 98 ARG CB C 30.377 0.300 1 987 98 98 ARG CD C 43.261 0.300 1 988 98 98 ARG CG C 27.399 0.300 1 989 98 98 ARG N N 117.669 0.300 1 990 99 99 ARG H H 8.320 0.030 1 991 99 99 ARG HA H 5.002 0.030 1 992 99 99 ARG HB2 H 1.571 0.030 2 993 99 99 ARG HB3 H 1.726 0.030 2 994 99 99 ARG HD2 H 3.066 0.030 1 995 99 99 ARG HD3 H 3.066 0.030 1 996 99 99 ARG HG2 H 1.447 0.030 2 997 99 99 ARG HG3 H 1.677 0.030 2 998 99 99 ARG C C 175.189 0.300 1 999 99 99 ARG CA C 53.561 0.300 1 1000 99 99 ARG CB C 33.544 0.300 1 1001 99 99 ARG CD C 43.061 0.300 1 1002 99 99 ARG CG C 27.498 0.300 1 1003 99 99 ARG N N 117.001 0.300 1 1004 100 100 TRP H H 9.429 0.030 1 1005 100 100 TRP HA H 4.471 0.030 1 1006 100 100 TRP HB2 H 2.908 0.030 2 1007 100 100 TRP HB3 H 2.952 0.030 2 1008 100 100 TRP HD1 H 6.955 0.030 1 1009 100 100 TRP HE1 H 10.056 0.030 1 1010 100 100 TRP HE3 H 7.241 0.030 1 1011 100 100 TRP HH2 H 7.106 0.030 1 1012 100 100 TRP HZ2 H 7.376 0.030 1 1013 100 100 TRP HZ3 H 6.764 0.030 1 1014 100 100 TRP C C 175.366 0.300 1 1015 100 100 TRP CA C 56.012 0.300 1 1016 100 100 TRP CB C 31.445 0.300 1 1017 100 100 TRP CD1 C 128.178 0.300 1 1018 100 100 TRP CE3 C 120.056 0.300 1 1019 100 100 TRP CH2 C 123.832 0.300 1 1020 100 100 TRP CZ2 C 114.937 0.300 1 1021 100 100 TRP CZ3 C 120.004 0.300 1 1022 100 100 TRP N N 122.927 0.300 1 1023 100 100 TRP NE1 N 130.712 0.300 1 1024 101 101 THR H H 7.066 0.030 1 1025 101 101 THR HA H 4.345 0.030 1 1026 101 101 THR HB H 3.536 0.030 1 1027 101 101 THR HG2 H 1.057 0.030 1 1028 101 101 THR C C 173.243 0.300 1 1029 101 101 THR CA C 62.698 0.300 1 1030 101 101 THR CB C 68.650 0.300 1 1031 101 101 THR CG2 C 21.168 0.300 1 1032 101 101 THR N N 122.944 0.300 1 1033 102 102 ASN H H 8.892 0.030 1 1034 102 102 ASN HA H 5.000 0.030 1 1035 102 102 ASN HB2 H 2.700 0.030 2 1036 102 102 ASN HB3 H 2.827 0.030 2 1037 102 102 ASN HD21 H 7.217 0.030 2 1038 102 102 ASN HD22 H 7.096 0.030 2 1039 102 102 ASN C C 175.756 0.300 1 1040 102 102 ASN CA C 52.766 0.300 1 1041 102 102 ASN CB C 38.023 0.300 1 1042 102 102 ASN N N 125.960 0.300 1 1043 102 102 ASN ND2 N 113.579 0.300 1 1044 103 103 PRO HA H 4.318 0.030 1 1045 103 103 PRO HB2 H 2.428 0.030 2 1046 103 103 PRO HB3 H 1.942 0.030 2 1047 103 103 PRO HD2 H 3.848 0.030 2 1048 103 103 PRO HD3 H 4.149 0.030 2 1049 103 103 PRO HG2 H 2.177 0.030 2 1050 103 103 PRO HG3 H 2.057 0.030 2 1051 103 103 PRO CA C 65.497 0.300 1 1052 103 103 PRO CB C 31.815 0.300 1 1053 103 103 PRO CD C 50.930 0.300 1 1054 103 103 PRO CG C 27.859 0.300 1 1055 104 104 ASP H H 7.516 0.030 1 1056 104 104 ASP HA H 4.507 0.030 1 1057 104 104 ASP HB2 H 3.096 0.030 2 1058 104 104 ASP HB3 H 2.627 0.030 2 1059 104 104 ASP C C 177.299 0.300 1 1060 104 104 ASP CA C 52.978 0.300 1 1061 104 104 ASP CB C 39.996 0.300 1 1062 104 104 ASP N N 113.374 0.300 1 1063 105 105 GLY H H 8.267 0.030 1 1064 105 105 GLY HA2 H 4.337 0.030 2 1065 105 105 GLY HA3 H 3.525 0.030 2 1066 105 105 GLY C C 175.492 0.300 1 1067 105 105 GLY CA C 45.357 0.300 1 1068 105 105 GLY N N 108.717 0.300 1 1069 106 106 THR H H 8.037 0.030 1 1070 106 106 THR HA H 4.467 0.030 1 1071 106 106 THR HB H 4.475 0.030 1 1072 106 106 THR HG2 H 1.257 0.030 1 1073 106 106 THR C C 173.702 0.300 1 1074 106 106 THR CA C 62.292 0.300 1 1075 106 106 THR CB C 71.618 0.300 1 1076 106 106 THR CG2 C 21.661 0.300 1 1077 106 106 THR N N 112.671 0.300 1 1078 107 107 THR H H 8.406 0.030 1 1079 107 107 THR HA H 5.651 0.030 1 1080 107 107 THR HB H 4.015 0.030 1 1081 107 107 THR HG2 H 1.126 0.030 1 1082 107 107 THR C C 175.339 0.300 1 1083 107 107 THR CA C 59.417 0.300 1 1084 107 107 THR CB C 72.430 0.300 1 1085 107 107 THR CG2 C 21.579 0.300 1 1086 107 107 THR N N 108.524 0.300 1 1087 108 108 SER H H 9.195 0.030 1 1088 108 108 SER HA H 5.056 0.030 1 1089 108 108 SER HB2 H 3.793 0.030 2 1090 108 108 SER HB3 H 4.486 0.030 2 1091 108 108 SER C C 173.454 0.300 1 1092 108 108 SER CA C 57.933 0.300 1 1093 108 108 SER CB C 68.227 0.300 1 1094 108 108 SER N N 117.828 0.300 1 1095 109 109 LYS H H 8.978 0.030 1 1096 109 109 LYS HA H 4.265 0.030 1 1097 109 109 LYS HB2 H 1.796 0.030 2 1098 109 109 LYS HB3 H 1.705 0.030 2 1099 109 109 LYS HD2 H 1.756 0.030 1 1100 109 109 LYS HD3 H 1.756 0.030 1 1101 109 109 LYS HE2 H 3.059 0.030 1 1102 109 109 LYS HE3 H 3.059 0.030 1 1103 109 109 LYS HG2 H 1.426 0.030 2 1104 109 109 LYS HG3 H 1.696 0.030 2 1105 109 109 LYS C C 175.344 0.300 1 1106 109 109 LYS CA C 58.461 0.300 1 1107 109 109 LYS CB C 33.830 0.300 1 1108 109 109 LYS CD C 29.681 0.300 1 1109 109 109 LYS CE C 42.211 0.300 1 1110 109 109 LYS CG C 25.835 0.300 1 1111 109 109 LYS N N 124.339 0.300 1 1112 110 110 ILE H H 8.270 0.030 1 1113 110 110 ILE HA H 5.009 0.030 1 1114 110 110 ILE HB H 1.594 0.030 1 1115 110 110 ILE HD1 H 0.798 0.030 1 1116 110 110 ILE HG12 H 0.902 0.030 2 1117 110 110 ILE HG13 H 2.004 0.030 2 1118 110 110 ILE HG2 H 0.873 0.030 1 1119 110 110 ILE C C 176.549 0.300 1 1120 110 110 ILE CA C 60.655 0.300 1 1121 110 110 ILE CB C 41.015 0.300 1 1122 110 110 ILE CD1 C 13.739 0.300 1 1123 110 110 ILE CG1 C 29.258 0.300 1 1124 110 110 ILE CG2 C 17.988 0.300 1 1125 110 110 ILE N N 122.015 0.300 1 1126 111 111 PHE H H 9.165 0.030 1 1127 111 111 PHE HA H 5.106 0.030 1 1128 111 111 PHE HB2 H 2.704 0.030 2 1129 111 111 PHE HB3 H 2.776 0.030 2 1130 111 111 PHE HD1 H 6.744 0.030 1 1131 111 111 PHE HD2 H 6.744 0.030 1 1132 111 111 PHE HE1 H 6.521 0.030 1 1133 111 111 PHE HE2 H 6.521 0.030 1 1134 111 111 PHE HZ H 6.131 0.030 1 1135 111 111 PHE C C 171.353 0.300 1 1136 111 111 PHE CA C 55.500 0.300 1 1137 111 111 PHE CB C 42.681 0.300 1 1138 111 111 PHE CD1 C 131.754 0.300 1 1139 111 111 PHE CD2 C 131.754 0.300 1 1140 111 111 PHE CE1 C 130.163 0.300 1 1141 111 111 PHE CE2 C 130.163 0.300 1 1142 111 111 PHE CZ C 129.827 0.300 1 1143 111 111 PHE N N 122.686 0.300 1 1144 112 112 GLY H H 8.780 0.030 1 1145 112 112 GLY HA2 H 5.595 0.030 2 1146 112 112 GLY HA3 H 3.715 0.030 2 1147 112 112 GLY C C 173.784 0.300 1 1148 112 112 GLY CA C 45.745 0.300 1 1149 112 112 GLY N N 104.147 0.300 1 1150 113 113 PHE H H 8.932 0.030 1 1151 113 113 PHE HA H 5.759 0.030 1 1152 113 113 PHE HB2 H 3.405 0.030 2 1153 113 113 PHE HB3 H 2.958 0.030 2 1154 113 113 PHE HD1 H 7.026 0.030 1 1155 113 113 PHE HD2 H 7.026 0.030 1 1156 113 113 PHE HE1 H 6.735 0.030 1 1157 113 113 PHE HE2 H 6.735 0.030 1 1158 113 113 PHE HZ H 6.064 0.030 1 1159 113 113 PHE C C 171.109 0.300 1 1160 113 113 PHE CA C 56.488 0.300 1 1161 113 113 PHE CB C 42.586 0.300 1 1162 113 113 PHE CD1 C 131.683 0.300 1 1163 113 113 PHE CD2 C 131.683 0.300 1 1164 113 113 PHE CE1 C 131.671 0.300 1 1165 113 113 PHE CE2 C 131.671 0.300 1 1166 113 113 PHE CZ C 129.844 0.300 1 1167 113 113 PHE N N 115.804 0.300 1 1168 114 114 VAL H H 9.255 0.030 1 1169 114 114 VAL HA H 4.830 0.030 1 1170 114 114 VAL HB H 2.161 0.030 1 1171 114 114 VAL HG1 H 0.817 0.030 1 1172 114 114 VAL HG2 H 0.882 0.030 1 1173 114 114 VAL C C 174.252 0.300 1 1174 114 114 VAL CA C 61.005 0.300 1 1175 114 114 VAL CB C 32.845 0.300 1 1176 114 114 VAL CG1 C 22.231 0.300 2 1177 114 114 VAL CG2 C 22.231 0.300 2 1178 114 114 VAL N N 123.992 0.300 1 1179 115 115 ALA H H 9.376 0.030 1 1180 115 115 ALA HA H 5.835 0.030 1 1181 115 115 ALA HB H 1.550 0.030 1 1182 115 115 ALA C C 176.556 0.300 1 1183 115 115 ALA CA C 49.714 0.300 1 1184 115 115 ALA CB C 23.527 0.300 1 1185 115 115 ALA N N 129.285 0.300 1 1186 116 116 LYS H H 8.852 0.030 1 1187 116 116 LYS HA H 4.635 0.030 1 1188 116 116 LYS HB2 H 1.666 0.030 2 1189 116 116 LYS HB3 H 1.896 0.030 2 1190 116 116 LYS HD2 H 1.771 0.030 2 1191 116 116 LYS HD3 H 1.646 0.030 2 1192 116 116 LYS HE2 H 2.971 0.030 2 1193 116 116 LYS HE3 H 2.936 0.030 2 1194 116 116 LYS HG2 H 1.617 0.030 1 1195 116 116 LYS HG3 H 1.617 0.030 1 1196 116 116 LYS C C 177.443 0.300 1 1197 116 116 LYS CA C 56.100 0.300 1 1198 116 116 LYS CB C 33.611 0.300 1 1199 116 116 LYS CD C 29.147 0.300 1 1200 116 116 LYS CE C 42.627 0.300 1 1201 116 116 LYS CG C 25.351 0.300 1 1202 116 116 LYS N N 120.968 0.300 1 1203 117 117 LYS H H 8.424 0.030 1 1204 117 117 LYS HA H 4.327 0.030 1 1205 117 117 LYS HB2 H 1.838 0.030 2 1206 117 117 LYS HB3 H 1.326 0.030 2 1207 117 117 LYS HD2 H 1.442 0.030 2 1208 117 117 LYS HD3 H 1.523 0.030 2 1209 117 117 LYS HE2 H 2.766 0.030 2 1210 117 117 LYS HE3 H 2.863 0.030 2 1211 117 117 LYS HG2 H 1.305 0.030 2 1212 117 117 LYS HG3 H 1.248 0.030 2 1213 117 117 LYS C C 174.932 0.300 1 1214 117 117 LYS CA C 54.742 0.300 1 1215 117 117 LYS CB C 33.691 0.300 1 1216 117 117 LYS CD C 30.102 0.300 1 1217 117 117 LYS CE C 42.088 0.300 1 1218 117 117 LYS CG C 24.913 0.300 1 1219 117 117 LYS N N 126.411 0.300 1 1220 118 118 PRO HA H 4.259 0.030 1 1221 118 118 PRO HB2 H 2.295 0.030 2 1222 118 118 PRO HB3 H 1.892 0.030 2 1223 118 118 PRO HD2 H 3.683 0.030 2 1224 118 118 PRO HD3 H 4.159 0.030 2 1225 118 118 PRO HG2 H 2.158 0.030 2 1226 118 118 PRO HG3 H 2.053 0.030 2 1227 118 118 PRO CA C 64.395 0.300 1 1228 118 118 PRO CB C 31.355 0.300 1 1229 118 118 PRO CD C 51.183 0.300 1 1230 118 118 PRO CG C 27.811 0.300 1 1231 119 119 GLY H H 8.726 0.030 1 1232 119 119 GLY HA2 H 4.130 0.030 2 1233 119 119 GLY HA3 H 3.736 0.030 2 1234 119 119 GLY CA C 45.617 0.300 1 1235 120 120 SER H H 7.516 0.030 1 1236 120 120 SER HA H 4.286 0.030 1 1237 120 120 SER HB2 H 3.217 0.030 2 1238 120 120 SER HB3 H 3.297 0.030 2 1239 120 120 SER CA C 54.056 0.300 1 1240 120 120 SER CB C 63.924 0.300 1 1241 120 120 SER N N 113.760 0.300 1 1242 121 121 PRO HA H 4.348 0.030 1 1243 121 121 PRO HB2 H 2.197 0.030 2 1244 121 121 PRO HB3 H 1.804 0.030 2 1245 121 121 PRO HD2 H 3.531 0.030 2 1246 121 121 PRO HD3 H 3.405 0.030 2 1247 121 121 PRO HG2 H 1.938 0.030 2 1248 121 121 PRO HG3 H 1.860 0.030 2 1249 121 121 PRO C C 175.901 0.300 1 1250 121 121 PRO CA C 64.498 0.300 1 1251 121 121 PRO CB C 31.774 0.300 1 1252 121 121 PRO CD C 50.438 0.300 1 1253 121 121 PRO CG C 26.993 0.300 1 1254 122 122 TRP H H 7.215 0.030 1 1255 122 122 TRP HA H 4.759 0.030 1 1256 122 122 TRP HB2 H 3.313 0.030 1 1257 122 122 TRP HB3 H 3.313 0.030 1 1258 122 122 TRP HD1 H 7.174 0.030 1 1259 122 122 TRP HE1 H 10.335 0.030 1 1260 122 122 TRP HE3 H 7.624 0.030 1 1261 122 122 TRP HH2 H 7.314 0.030 1 1262 122 122 TRP HZ2 H 7.543 0.030 1 1263 122 122 TRP HZ3 H 7.206 0.030 1 1264 122 122 TRP C C 175.199 0.300 1 1265 122 122 TRP CA C 57.180 0.300 1 1266 122 122 TRP CB C 28.732 0.300 1 1267 122 122 TRP CD1 C 127.409 0.300 1 1268 122 122 TRP CE3 C 120.445 0.300 1 1269 122 122 TRP CH2 C 125.039 0.300 1 1270 122 122 TRP CZ2 C 115.200 0.300 1 1271 122 122 TRP CZ3 C 122.315 0.300 1 1272 122 122 TRP N N 115.726 0.300 1 1273 122 122 TRP NE1 N 130.844 0.300 1 1274 123 123 GLU H H 7.937 0.030 1 1275 123 123 GLU HA H 4.288 0.030 1 1276 123 123 GLU HB2 H 1.883 0.030 2 1277 123 123 GLU HB3 H 1.736 0.030 2 1278 123 123 GLU HG2 H 1.726 0.030 2 1279 123 123 GLU HG3 H 1.625 0.030 2 1280 123 123 GLU C C 174.448 0.300 1 1281 123 123 GLU CA C 55.801 0.300 1 1282 123 123 GLU CB C 32.021 0.300 1 1283 123 123 GLU CG C 36.655 0.300 1 1284 123 123 GLU N N 122.437 0.300 1 1285 124 124 ASN H H 8.329 0.030 1 1286 124 124 ASN HA H 5.216 0.030 1 1287 124 124 ASN HB2 H 2.566 0.030 2 1288 124 124 ASN HB3 H 2.106 0.030 2 1289 124 124 ASN HD21 H 6.916 0.030 2 1290 124 124 ASN HD22 H 6.674 0.030 2 1291 124 124 ASN C C 174.749 0.300 1 1292 124 124 ASN CA C 52.731 0.300 1 1293 124 124 ASN CB C 42.715 0.300 1 1294 124 124 ASN N N 118.692 0.300 1 1295 124 124 ASN ND2 N 113.720 0.300 1 1296 125 125 VAL H H 9.066 0.030 1 1297 125 125 VAL HA H 4.296 0.030 1 1298 125 125 VAL HB H 1.823 0.030 1 1299 125 125 VAL HG1 H 0.278 0.030 1 1300 125 125 VAL HG2 H 0.801 0.030 1 1301 125 125 VAL C C 173.116 0.300 1 1302 125 125 VAL CA C 60.906 0.300 1 1303 125 125 VAL CB C 35.083 0.300 1 1304 125 125 VAL CG1 C 21.508 0.300 2 1305 125 125 VAL CG2 C 21.332 0.300 2 1306 125 125 VAL N N 120.838 0.300 1 1307 126 126 CYS H H 8.999 0.030 1 1308 126 126 CYS HA H 4.857 0.030 1 1309 126 126 CYS HB2 H 2.523 0.030 2 1310 126 126 CYS HB3 H 2.246 0.030 2 1311 126 126 CYS C C 172.292 0.300 1 1312 126 126 CYS CA C 56.330 0.300 1 1313 126 126 CYS CB C 28.980 0.300 1 1314 126 126 CYS N N 124.936 0.300 1 1315 127 127 HIS H H 8.565 0.030 1 1316 127 127 HIS HA H 4.477 0.030 1 1317 127 127 HIS HB2 H 1.636 0.030 2 1318 127 127 HIS HB3 H 2.281 0.030 2 1319 127 127 HIS HD2 H 5.835 0.030 1 1320 127 127 HIS HE1 H 7.708 0.030 1 1321 127 127 HIS C C 172.388 0.300 1 1322 127 127 HIS CA C 55.730 0.300 1 1323 127 127 HIS CB C 31.487 0.300 1 1324 127 127 HIS CD2 C 118.614 0.300 1 1325 127 127 HIS CE1 C 139.388 0.300 1 1326 127 127 HIS N N 132.542 0.300 1 1327 128 128 LEU H H 8.607 0.030 1 1328 128 128 LEU HA H 4.690 0.030 1 1329 128 128 LEU HB2 H 1.315 0.030 2 1330 128 128 LEU HB3 H 0.907 0.030 2 1331 128 128 LEU HD1 H 0.587 0.030 1 1332 128 128 LEU HD2 H 0.516 0.030 1 1333 128 128 LEU HG H 1.406 0.030 1 1334 128 128 LEU C C 173.900 0.300 1 1335 128 128 LEU CA C 54.019 0.300 1 1336 128 128 LEU CB C 47.858 0.300 1 1337 128 128 LEU CD1 C 24.197 0.300 2 1338 128 128 LEU CD2 C 25.798 0.300 2 1339 128 128 LEU CG C 26.295 0.300 1 1340 128 128 LEU N N 127.092 0.300 1 1341 129 129 PHE H H 8.846 0.030 1 1342 129 129 PHE HA H 5.037 0.030 1 1343 129 129 PHE HB2 H 0.851 0.030 2 1344 129 129 PHE HB3 H 2.476 0.030 2 1345 129 129 PHE HD1 H 6.951 0.030 1 1346 129 129 PHE HD2 H 6.951 0.030 1 1347 129 129 PHE HE1 H 7.251 0.030 1 1348 129 129 PHE HE2 H 7.251 0.030 1 1349 129 129 PHE HZ H 7.127 0.030 1 1350 129 129 PHE C C 173.174 0.300 1 1351 129 129 PHE CA C 55.942 0.300 1 1352 129 129 PHE CB C 44.508 0.300 1 1353 129 129 PHE CD1 C 132.988 0.300 1 1354 129 129 PHE CD2 C 132.988 0.300 1 1355 129 129 PHE CE1 C 131.160 0.300 1 1356 129 129 PHE CE2 C 131.160 0.300 1 1357 129 129 PHE CZ C 128.272 0.300 1 1358 129 129 PHE N N 121.597 0.300 1 1359 130 130 ALA H H 9.265 0.030 1 1360 130 130 ALA HA H 5.568 0.030 1 1361 130 130 ALA HB H 1.170 0.030 1 1362 130 130 ALA C C 176.812 0.300 1 1363 130 130 ALA CA C 49.661 0.300 1 1364 130 130 ALA CB C 22.524 0.300 1 1365 130 130 ALA N N 119.089 0.300 1 1366 131 131 GLU H H 8.178 0.030 1 1367 131 131 GLU HA H 4.286 0.030 1 1368 131 131 GLU HB2 H 2.106 0.030 2 1369 131 131 GLU HB3 H 2.235 0.030 2 1370 131 131 GLU HG2 H 2.445 0.030 2 1371 131 131 GLU HG3 H 2.387 0.030 2 1372 131 131 GLU C C 174.617 0.300 1 1373 131 131 GLU CA C 56.965 0.300 1 1374 131 131 GLU CB C 31.475 0.300 1 1375 131 131 GLU CG C 37.059 0.300 1 1376 131 131 GLU N N 118.632 0.300 1 1377 132 132 LEU H H 9.216 0.030 1 1378 132 132 LEU HA H 4.527 0.030 1 1379 132 132 LEU HB2 H 1.394 0.030 2 1380 132 132 LEU HB3 H 1.741 0.030 2 1381 132 132 LEU HD1 H 0.846 0.030 1 1382 132 132 LEU HD2 H 0.888 0.030 1 1383 132 132 LEU HG H 1.559 0.030 1 1384 132 132 LEU C C 175.877 0.300 1 1385 132 132 LEU CA C 56.118 0.300 1 1386 132 132 LEU CB C 46.068 0.300 1 1387 132 132 LEU CD1 C 26.183 0.300 2 1388 132 132 LEU CD2 C 24.292 0.300 2 1389 132 132 LEU CG C 27.323 0.300 1 1390 132 132 LEU N N 123.318 0.300 1 1391 133 133 ASP H H 8.177 0.030 1 1392 133 133 ASP HA H 4.970 0.030 1 1393 133 133 ASP HB2 H 2.865 0.030 2 1394 133 133 ASP HB3 H 2.674 0.030 2 1395 133 133 ASP C C 175.586 0.300 1 1396 133 133 ASP CA C 51.343 0.300 1 1397 133 133 ASP CB C 43.121 0.300 1 1398 133 133 ASP N N 120.833 0.300 1 1399 134 134 PRO HA H 4.336 0.030 1 1400 134 134 PRO HB2 H 2.382 0.030 2 1401 134 134 PRO HB3 H 1.989 0.030 2 1402 134 134 PRO HD2 H 3.916 0.030 1 1403 134 134 PRO HD3 H 3.916 0.030 1 1404 134 134 PRO HG2 H 2.036 0.030 1 1405 134 134 PRO HG3 H 2.036 0.030 1 1406 134 134 PRO CA C 64.251 0.300 1 1407 134 134 PRO CB C 32.021 0.300 1 1408 134 134 PRO CD C 51.177 0.300 1 1409 134 134 PRO CG C 27.291 0.300 1 1410 135 135 ASP H H 8.610 0.030 1 1411 135 135 ASP HA H 4.688 0.030 1 1412 135 135 ASP HB2 H 2.695 0.030 2 1413 135 135 ASP HB3 H 2.776 0.030 2 1414 135 135 ASP C C 176.071 0.300 1 1415 135 135 ASP CA C 54.807 0.300 1 1416 135 135 ASP CB C 40.884 0.300 1 1417 135 135 ASP N N 116.409 0.300 1 1418 136 136 GLN H H 7.851 0.030 1 1419 136 136 GLN HA H 4.689 0.030 1 1420 136 136 GLN HB2 H 2.001 0.030 1 1421 136 136 GLN HB3 H 2.001 0.030 1 1422 136 136 GLN HE21 H 7.655 0.030 2 1423 136 136 GLN HE22 H 6.677 0.030 2 1424 136 136 GLN HG2 H 2.170 0.030 2 1425 136 136 GLN HG3 H 2.259 0.030 2 1426 136 136 GLN C C 171.298 0.300 1 1427 136 136 GLN CA C 53.190 0.300 1 1428 136 136 GLN CB C 29.472 0.300 1 1429 136 136 GLN CG C 33.358 0.300 1 1430 136 136 GLN N N 120.160 0.300 1 1431 136 136 GLN NE2 N 111.162 0.300 1 1432 137 137 PRO HA H 4.465 0.030 1 1433 137 137 PRO HB2 H 2.041 0.030 2 1434 137 137 PRO HB3 H 2.315 0.030 2 1435 137 137 PRO HD2 H 3.354 0.030 2 1436 137 137 PRO HD3 H 3.413 0.030 2 1437 137 137 PRO HG2 H 2.006 0.030 2 1438 137 137 PRO HG3 H 1.863 0.030 2 1439 137 137 PRO C C 178.348 0.300 1 1440 137 137 PRO CA C 62.416 0.300 1 1441 137 137 PRO CB C 32.843 0.300 1 1442 137 137 PRO CD C 50.143 0.300 1 1443 137 137 PRO CG C 27.307 0.300 1 1444 138 138 ALA H H 10.076 0.030 1 1445 138 138 ALA HA H 3.289 0.030 1 1446 138 138 ALA HB H 1.005 0.030 1 1447 138 138 ALA C C 179.077 0.300 1 1448 138 138 ALA CA C 54.336 0.300 1 1449 138 138 ALA CB C 19.688 0.300 1 1450 138 138 ALA N N 123.674 0.300 1 1451 139 139 GLY H H 8.806 0.030 1 1452 139 139 GLY HA2 H 3.766 0.030 2 1453 139 139 GLY HA3 H 3.496 0.030 2 1454 139 139 GLY C C 176.109 0.300 1 1455 139 139 GLY CA C 46.928 0.300 1 1456 139 139 GLY N N 102.310 0.300 1 1457 140 140 ALA H H 7.083 0.030 1 1458 140 140 ALA HA H 4.085 0.030 1 1459 140 140 ALA HB H 1.377 0.030 1 1460 140 140 ALA C C 180.133 0.300 1 1461 140 140 ALA CA C 54.548 0.300 1 1462 140 140 ALA CB C 18.351 0.300 1 1463 140 140 ALA N N 122.971 0.300 1 1464 141 141 ILE H H 7.068 0.030 1 1465 141 141 ILE HA H 3.442 0.030 1 1466 141 141 ILE HB H 1.113 0.030 1 1467 141 141 ILE HD1 H 0.210 0.030 1 1468 141 141 ILE HG12 H 0.597 0.030 2 1469 141 141 ILE HG13 H 1.137 0.030 2 1470 141 141 ILE HG2 H 0.145 0.030 1 1471 141 141 ILE C C 177.548 0.300 1 1472 141 141 ILE CA C 64.162 0.300 1 1473 141 141 ILE CB C 37.467 0.300 1 1474 141 141 ILE CD1 C 13.173 0.300 1 1475 141 141 ILE CG1 C 28.094 0.300 1 1476 141 141 ILE CG2 C 18.257 0.300 1 1477 141 141 ILE N N 120.013 0.300 1 1478 142 142 VAL H H 7.733 0.030 1 1479 142 142 VAL HA H 3.391 0.030 1 1480 142 142 VAL HB H 1.878 0.030 1 1481 142 142 VAL HG1 H 0.780 0.030 1 1482 142 142 VAL HG2 H 0.727 0.030 1 1483 142 142 VAL C C 179.317 0.300 1 1484 142 142 VAL CA C 66.224 0.300 1 1485 142 142 VAL CB C 31.723 0.300 1 1486 142 142 VAL CG1 C 21.639 0.300 2 1487 142 142 VAL CG2 C 21.788 0.300 2 1488 142 142 VAL N N 118.414 0.300 1 1489 143 143 THR H H 8.075 0.030 1 1490 143 143 THR HA H 3.848 0.030 1 1491 143 143 THR HB H 4.137 0.030 1 1492 143 143 THR HG2 H 1.164 0.030 1 1493 143 143 THR C C 175.199 0.300 1 1494 143 143 THR CA C 66.950 0.300 1 1495 143 143 THR CB C 68.492 0.300 1 1496 143 143 THR CG2 C 21.661 0.300 1 1497 143 143 THR N N 117.656 0.300 1 1498 144 144 PHE H H 7.765 0.030 1 1499 144 144 PHE HA H 3.994 0.030 1 1500 144 144 PHE HB2 H 3.135 0.030 2 1501 144 144 PHE HB3 H 3.057 0.030 2 1502 144 144 PHE HD1 H 6.996 0.030 1 1503 144 144 PHE HD2 H 6.996 0.030 1 1504 144 144 PHE HE1 H 7.080 0.030 1 1505 144 144 PHE HE2 H 7.080 0.030 1 1506 144 144 PHE HZ H 7.095 0.030 1 1507 144 144 PHE C C 178.173 0.300 1 1508 144 144 PHE CA C 62.086 0.300 1 1509 144 144 PHE CB C 39.136 0.300 1 1510 144 144 PHE CD1 C 131.687 0.300 1 1511 144 144 PHE CD2 C 131.687 0.300 1 1512 144 144 PHE CE1 C 130.960 0.300 1 1513 144 144 PHE CE2 C 130.960 0.300 1 1514 144 144 PHE CZ C 129.560 0.300 1 1515 144 144 PHE N N 123.007 0.300 1 1516 145 145 ILE H H 8.486 0.030 1 1517 145 145 ILE HA H 3.387 0.030 1 1518 145 145 ILE HB H 1.944 0.030 1 1519 145 145 ILE HD1 H 0.865 0.030 1 1520 145 145 ILE HG12 H 2.119 0.030 2 1521 145 145 ILE HG13 H 0.733 0.030 2 1522 145 145 ILE HG2 H 0.735 0.030 1 1523 145 145 ILE C C 177.018 0.300 1 1524 145 145 ILE CA C 66.226 0.300 1 1525 145 145 ILE CB C 38.517 0.300 1 1526 145 145 ILE CD1 C 14.151 0.300 1 1527 145 145 ILE CG1 C 29.699 0.300 1 1528 145 145 ILE CG2 C 17.230 0.300 1 1529 145 145 ILE N N 118.015 0.300 1 1530 146 146 THR H H 8.409 0.030 1 1531 146 146 THR HA H 3.686 0.030 1 1532 146 146 THR HB H 4.187 0.030 1 1533 146 146 THR HG2 H 1.195 0.030 1 1534 146 146 THR C C 175.692 0.300 1 1535 146 146 THR CA C 66.911 0.300 1 1536 146 146 THR CB C 69.141 0.300 1 1537 146 146 THR CG2 C 21.744 0.300 1 1538 146 146 THR N N 112.989 0.300 1 1539 147 147 LYS H H 8.488 0.030 1 1540 147 147 LYS HA H 4.090 0.030 1 1541 147 147 LYS HB2 H 1.833 0.030 2 1542 147 147 LYS HB3 H 1.704 0.030 2 1543 147 147 LYS HD2 H 1.555 0.030 1 1544 147 147 LYS HD3 H 1.555 0.030 1 1545 147 147 LYS HE2 H 2.885 0.030 1 1546 147 147 LYS HE3 H 2.885 0.030 1 1547 147 147 LYS HG2 H 1.326 0.030 2 1548 147 147 LYS HG3 H 1.507 0.030 2 1549 147 147 LYS C C 178.264 0.300 1 1550 147 147 LYS CA C 58.500 0.300 1 1551 147 147 LYS CB C 32.823 0.300 1 1552 147 147 LYS CD C 29.001 0.300 1 1553 147 147 LYS CE C 41.970 0.300 1 1554 147 147 LYS CG C 25.279 0.300 1 1555 147 147 LYS N N 118.777 0.300 1 1556 148 148 VAL H H 7.615 0.030 1 1557 148 148 VAL HA H 3.729 0.030 1 1558 148 148 VAL HB H 1.479 0.030 1 1559 148 148 VAL HG1 H 0.520 0.030 1 1560 148 148 VAL HG2 H 0.520 0.030 1 1561 148 148 VAL C C 177.505 0.300 1 1562 148 148 VAL CA C 64.966 0.300 1 1563 148 148 VAL CB C 31.286 0.300 1 1564 148 148 VAL CG1 C 21.686 0.300 2 1565 148 148 VAL CG2 C 21.686 0.300 2 1566 148 148 VAL N N 117.932 0.300 1 1567 149 149 LEU H H 7.725 0.030 1 1568 149 149 LEU HA H 4.045 0.030 1 1569 149 149 LEU HB2 H 1.925 0.030 2 1570 149 149 LEU HB3 H 1.555 0.030 2 1571 149 149 LEU HD1 H 0.836 0.030 1 1572 149 149 LEU HD2 H 0.776 0.030 1 1573 149 149 LEU HG H 1.618 0.030 1 1574 149 149 LEU C C 178.698 0.300 1 1575 149 149 LEU CA C 58.059 0.300 1 1576 149 149 LEU CB C 41.491 0.300 1 1577 149 149 LEU CD1 C 25.277 0.300 2 1578 149 149 LEU CD2 C 24.539 0.300 2 1579 149 149 LEU CG C 26.903 0.300 1 1580 149 149 LEU N N 118.868 0.300 1 1581 150 150 LEU H H 8.036 0.030 1 1582 150 150 LEU HA H 4.297 0.030 1 1583 150 150 LEU HB2 H 1.968 0.030 2 1584 150 150 LEU HB3 H 1.603 0.030 2 1585 150 150 LEU HD1 H 0.757 0.030 1 1586 150 150 LEU HD2 H 0.760 0.030 1 1587 150 150 LEU HG H 1.641 0.030 1 1588 150 150 LEU C C 178.810 0.300 1 1589 150 150 LEU CA C 55.660 0.300 1 1590 150 150 LEU CB C 40.972 0.300 1 1591 150 150 LEU CD1 C 25.079 0.300 2 1592 150 150 LEU CD2 C 22.361 0.300 2 1593 150 150 LEU CG C 26.939 0.300 1 1594 150 150 LEU N N 115.905 0.300 1 1595 151 151 GLY H H 7.166 0.030 1 1596 151 151 GLY HA2 H 3.997 0.030 2 1597 151 151 GLY HA3 H 3.767 0.030 2 1598 151 151 GLY C C 174.648 0.300 1 1599 151 151 GLY CA C 46.204 0.300 1 1600 151 151 GLY N N 105.778 0.300 1 1601 152 152 GLN H H 7.808 0.030 1 1602 152 152 GLN HA H 4.285 0.030 1 1603 152 152 GLN HB2 H 2.001 0.030 2 1604 152 152 GLN HB3 H 2.166 0.030 2 1605 152 152 GLN HE21 H 7.664 0.030 2 1606 152 152 GLN HE22 H 6.927 0.030 2 1607 152 152 GLN HG2 H 2.371 0.030 1 1608 152 152 GLN HG3 H 2.371 0.030 1 1609 152 152 GLN C C 176.154 0.300 1 1610 152 152 GLN CA C 55.842 0.300 1 1611 152 152 GLN CB C 29.225 0.300 1 1612 152 152 GLN CG C 34.059 0.300 1 1613 152 152 GLN N N 118.283 0.300 1 1614 152 152 GLN NE2 N 112.646 0.300 1 1615 153 153 ARG H H 8.031 0.030 1 1616 153 153 ARG HA H 4.316 0.030 1 1617 153 153 ARG HB2 H 1.814 0.030 2 1618 153 153 ARG HB3 H 1.895 0.030 2 1619 153 153 ARG HD2 H 3.227 0.030 1 1620 153 153 ARG HD3 H 3.227 0.030 1 1621 153 153 ARG HG2 H 1.633 0.030 2 1622 153 153 ARG HG3 H 1.685 0.030 2 1623 153 153 ARG C C 176.313 0.300 1 1624 153 153 ARG CA C 56.189 0.300 1 1625 153 153 ARG CB C 30.623 0.300 1 1626 153 153 ARG CD C 43.507 0.300 1 1627 153 153 ARG CG C 27.123 0.300 1 1628 153 153 ARG N N 121.249 0.300 1 1629 154 154 LYS H H 8.396 0.030 1 1630 154 154 LYS HA H 4.384 0.030 1 1631 154 154 LYS HB2 H 1.783 0.030 2 1632 154 154 LYS HB3 H 1.885 0.030 2 1633 154 154 LYS HD2 H 1.694 0.030 1 1634 154 154 LYS HD3 H 1.694 0.030 1 1635 154 154 LYS HE2 H 2.997 0.030 1 1636 154 154 LYS HE3 H 2.997 0.030 1 1637 154 154 LYS HG2 H 1.476 0.030 2 1638 154 154 LYS HG3 H 1.437 0.030 2 1639 154 154 LYS CA C 56.358 0.300 1 1640 154 154 LYS CB C 33.073 0.300 1 1641 154 154 LYS CD C 29.147 0.300 1 1642 154 154 LYS CE C 42.211 0.300 1 1643 154 154 LYS CG C 24.822 0.300 1 1644 154 154 LYS N N 122.858 0.300 1 1645 156 156 GLY HA2 H 4.153 0.030 1 1646 156 156 GLY HA3 H 4.153 0.030 1 1647 156 156 GLY CA C 44.693 0.300 1 1648 157 157 PRO HA H 4.487 0.030 1 1649 157 157 PRO HB2 H 2.306 0.030 1 1650 157 157 PRO HB3 H 2.306 0.030 1 1651 157 157 PRO HD2 H 3.637 0.030 1 1652 157 157 PRO HD3 H 3.637 0.030 1 1653 157 157 PRO HG2 H 2.026 0.030 1 1654 157 157 PRO HG3 H 2.026 0.030 1 1655 157 157 PRO CA C 63.347 0.300 1 1656 157 157 PRO CB C 32.391 0.300 1 1657 157 157 PRO CD C 49.808 0.300 1 1658 157 157 PRO CG C 27.206 0.300 1 1659 158 158 SER H H 8.549 0.030 1 1660 158 158 SER CA C 58.413 0.300 1 1661 158 158 SER CB C 64.004 0.300 1 1662 158 158 SER N N 116.349 0.300 1 stop_ save_