data_11182 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PDZ domain of human KIAA0340 protein ; _BMRB_accession_number 11182 _BMRB_flat_file_name bmr11182.str _Entry_type original _Submission_date 2010-07-21 _Accession_date 2010-07-23 _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 Inoue K. . . 2 Qin X. . . 3 Hayashi F. . . 4 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" 687 "13C chemical shifts" 512 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-20 original author . stop_ _Original_release_date 2011-07-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the PDZ domain of human KIAA0340 protein' _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 Inoue K. . . 2 Qin X. . . 3 Hayashi F. . . 4 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 'Regulating synaptic membrane exocytosis protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PDZ 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 'PDZ domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; GSSGSSGVTWQPSKEGDRLI GRVILNKRTTMPKDSGALLG LKVVGGKMTDLGRLGAFITK VKKGSLADVVGHLRAGDEVL EWNGKPLPGATNEEVYNIIL ESKSEPQVEIIVSRPSGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 THR 10 TRP 11 GLN 12 PRO 13 SER 14 LYS 15 GLU 16 GLY 17 ASP 18 ARG 19 LEU 20 ILE 21 GLY 22 ARG 23 VAL 24 ILE 25 LEU 26 ASN 27 LYS 28 ARG 29 THR 30 THR 31 MET 32 PRO 33 LYS 34 ASP 35 SER 36 GLY 37 ALA 38 LEU 39 LEU 40 GLY 41 LEU 42 LYS 43 VAL 44 VAL 45 GLY 46 GLY 47 LYS 48 MET 49 THR 50 ASP 51 LEU 52 GLY 53 ARG 54 LEU 55 GLY 56 ALA 57 PHE 58 ILE 59 THR 60 LYS 61 VAL 62 LYS 63 LYS 64 GLY 65 SER 66 LEU 67 ALA 68 ASP 69 VAL 70 VAL 71 GLY 72 HIS 73 LEU 74 ARG 75 ALA 76 GLY 77 ASP 78 GLU 79 VAL 80 LEU 81 GLU 82 TRP 83 ASN 84 GLY 85 LYS 86 PRO 87 LEU 88 PRO 89 GLY 90 ALA 91 THR 92 ASN 93 GLU 94 GLU 95 VAL 96 TYR 97 ASN 98 ILE 99 ILE 100 LEU 101 GLU 102 SER 103 LYS 104 SER 105 GLU 106 PRO 107 GLN 108 VAL 109 GLU 110 ILE 111 ILE 112 VAL 113 SER 114 ARG 115 PRO 116 SER 117 GLY 118 PRO 119 SER 120 SER 121 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 2CSS "Solution Structure Of The Pdz Domain Of Human Kiaa0340 Protein" 100.00 121 100.00 100.00 1.05e-77 DBJ BAE22200 "unnamed protein product [Mus musculus]" 71.90 753 97.70 98.85 4.92e-48 DBJ BAH11605 "unnamed protein product [Homo sapiens]" 71.90 736 98.85 98.85 2.87e-48 DBJ BAH14479 "unnamed protein product [Homo sapiens]" 90.91 826 99.09 99.09 6.24e-65 GB EMP34190 "Regulating synaptic membrane exocytosis protein 1 [Chelonia mydas]" 62.81 540 98.68 98.68 6.61e-41 GB EPY76123 "hypothetical protein CB1_001499008 [Camelus ferus]" 57.85 149 98.57 98.57 8.66e-39 GB ETE71210 "Regulating synaptic membrane exocytosis protein 1, partial [Ophiophagus hannah]" 61.98 1643 98.67 98.67 2.36e-39 REF NP_001161881 "regulating synaptic membrane exocytosis protein 1 isoform 4 [Homo sapiens]" 71.90 760 98.85 98.85 2.60e-48 REF XP_002690061 "PREDICTED: regulating synaptic membrane exocytosis protein 1 isoform X31 [Bos taurus]" 71.90 868 97.70 98.85 1.21e-47 REF XP_003271153 "PREDICTED: regulating synaptic membrane exocytosis protein 1 isoform X6 [Nomascus leucogenys]" 71.90 760 97.70 98.85 1.10e-47 REF XP_004044328 "PREDICTED: regulating synaptic membrane exocytosis protein 2-like isoform 4 [Gorilla gorilla gorilla]" 71.90 760 98.85 98.85 2.60e-48 REF XP_004381426 "PREDICTED: regulating synaptic membrane exocytosis protein 1 isoform X6 [Trichechus manatus latirostris]" 71.90 760 97.70 98.85 1.27e-47 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' 'E. coli' Escherichia coli . plasmid P040628-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.33mM U-15N,13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.33 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _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_Kujira _Saveframe_category software _Name Kujira _Version 0.9296 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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 293 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 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_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ 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 'PDZ 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 4 4 GLY H H 8.450 0.030 1 2 4 4 GLY HA2 H 3.983 0.030 1 3 4 4 GLY HA3 H 3.983 0.030 1 4 4 4 GLY CA C 45.282 0.300 1 5 5 5 SER H H 8.224 0.030 1 6 5 5 SER HA H 4.500 0.030 1 7 5 5 SER HB2 H 3.884 0.030 1 8 5 5 SER HB3 H 3.884 0.030 1 9 5 5 SER C C 174.144 0.300 1 10 5 5 SER CA C 58.412 0.300 1 11 5 5 SER CB C 64.105 0.300 1 12 6 6 SER H H 8.325 0.030 1 13 6 6 SER HA H 4.498 0.030 1 14 6 6 SER HB2 H 3.869 0.030 2 15 6 6 SER HB3 H 3.898 0.030 2 16 6 6 SER C C 174.341 0.300 1 17 6 6 SER CA C 58.419 0.300 1 18 6 6 SER CB C 64.255 0.300 1 19 6 6 SER N N 117.328 0.300 1 20 7 7 GLY H H 8.720 0.030 1 21 7 7 GLY HA2 H 3.846 0.030 2 22 7 7 GLY HA3 H 4.202 0.030 2 23 7 7 GLY C C 171.599 0.300 1 24 7 7 GLY CA C 45.174 0.300 1 25 7 7 GLY N N 111.148 0.300 1 26 8 8 VAL H H 8.026 0.030 1 27 8 8 VAL HA H 4.941 0.030 1 28 8 8 VAL HB H 1.886 0.030 1 29 8 8 VAL HG1 H 0.767 0.030 1 30 8 8 VAL HG2 H 0.333 0.030 1 31 8 8 VAL C C 174.445 0.300 1 32 8 8 VAL CA C 60.028 0.300 1 33 8 8 VAL CB C 34.415 0.300 1 34 8 8 VAL CG1 C 19.547 0.300 2 35 8 8 VAL CG2 C 21.161 0.300 2 36 8 8 VAL N N 118.532 0.300 1 37 9 9 THR H H 7.902 0.030 1 38 9 9 THR HA H 4.533 0.030 1 39 9 9 THR HB H 4.009 0.030 1 40 9 9 THR HG2 H 1.180 0.030 1 41 9 9 THR C C 172.920 0.300 1 42 9 9 THR CA C 60.699 0.300 1 43 9 9 THR CB C 71.199 0.300 1 44 9 9 THR CG2 C 21.555 0.300 1 45 9 9 THR N N 120.344 0.300 1 46 10 10 TRP H H 8.830 0.030 1 47 10 10 TRP HA H 5.436 0.030 1 48 10 10 TRP HB2 H 2.999 0.030 1 49 10 10 TRP HB3 H 2.999 0.030 1 50 10 10 TRP HD1 H 7.178 0.030 1 51 10 10 TRP HE1 H 9.789 0.030 1 52 10 10 TRP HE3 H 7.112 0.030 1 53 10 10 TRP HH2 H 6.877 0.030 1 54 10 10 TRP HZ2 H 7.318 0.030 1 55 10 10 TRP HZ3 H 6.715 0.030 1 56 10 10 TRP C C 176.423 0.300 1 57 10 10 TRP CA C 55.814 0.300 1 58 10 10 TRP CB C 32.150 0.300 1 59 10 10 TRP CD1 C 126.967 0.300 1 60 10 10 TRP CE3 C 120.131 0.300 1 61 10 10 TRP CH2 C 124.084 0.300 1 62 10 10 TRP CZ2 C 114.119 0.300 1 63 10 10 TRP CZ3 C 121.066 0.300 1 64 10 10 TRP N N 125.147 0.300 1 65 10 10 TRP NE1 N 129.355 0.300 1 66 11 11 GLN H H 9.312 0.030 1 67 11 11 GLN HA H 5.081 0.030 1 68 11 11 GLN HB2 H 2.034 0.030 2 69 11 11 GLN HB3 H 2.146 0.030 2 70 11 11 GLN HE21 H 6.871 0.030 2 71 11 11 GLN HE22 H 7.492 0.030 2 72 11 11 GLN HG2 H 2.330 0.030 2 73 11 11 GLN HG3 H 2.430 0.030 2 74 11 11 GLN C C 172.918 0.300 1 75 11 11 GLN CA C 52.946 0.300 1 76 11 11 GLN CB C 31.755 0.300 1 77 11 11 GLN CG C 33.265 0.300 1 78 11 11 GLN N N 121.501 0.300 1 79 11 11 GLN NE2 N 111.946 0.300 1 80 12 12 PRO HA H 5.043 0.030 1 81 12 12 PRO HB2 H 2.080 0.030 2 82 12 12 PRO HB3 H 2.405 0.030 2 83 12 12 PRO HD2 H 3.785 0.030 2 84 12 12 PRO HD3 H 3.865 0.030 2 85 12 12 PRO HG2 H 2.033 0.030 2 86 12 12 PRO HG3 H 2.165 0.030 2 87 12 12 PRO C C 177.706 0.300 1 88 12 12 PRO CA C 62.794 0.300 1 89 12 12 PRO CB C 32.215 0.300 1 90 12 12 PRO CD C 50.688 0.300 1 91 12 12 PRO CG C 27.573 0.300 1 92 13 13 SER H H 8.777 0.030 1 93 13 13 SER HA H 4.467 0.030 1 94 13 13 SER HB2 H 3.835 0.030 2 95 13 13 SER HB3 H 4.401 0.030 2 96 13 13 SER C C 175.690 0.300 1 97 13 13 SER CA C 57.413 0.300 1 98 13 13 SER CB C 64.636 0.300 1 99 13 13 SER N N 117.335 0.300 1 100 14 14 LYS H H 9.060 0.030 1 101 14 14 LYS HA H 4.073 0.030 1 102 14 14 LYS HB2 H 1.912 0.030 2 103 14 14 LYS HB3 H 1.819 0.030 2 104 14 14 LYS HD2 H 1.709 0.030 1 105 14 14 LYS HD3 H 1.709 0.030 1 106 14 14 LYS HE2 H 3.019 0.030 1 107 14 14 LYS HE3 H 3.019 0.030 1 108 14 14 LYS HG2 H 1.465 0.030 1 109 14 14 LYS HG3 H 1.465 0.030 1 110 14 14 LYS C C 178.031 0.300 1 111 14 14 LYS CA C 59.233 0.300 1 112 14 14 LYS CB C 32.122 0.300 1 113 14 14 LYS CD C 29.326 0.300 1 114 14 14 LYS CE C 42.116 0.300 1 115 14 14 LYS CG C 24.599 0.300 1 116 14 14 LYS N N 123.425 0.300 1 117 15 15 GLU H H 8.486 0.030 1 118 15 15 GLU HA H 4.292 0.030 1 119 15 15 GLU HB2 H 2.078 0.030 1 120 15 15 GLU HB3 H 2.078 0.030 1 121 15 15 GLU HG2 H 2.225 0.030 2 122 15 15 GLU HG3 H 2.446 0.030 2 123 15 15 GLU C C 177.843 0.300 1 124 15 15 GLU CA C 57.499 0.300 1 125 15 15 GLU CB C 29.402 0.300 1 126 15 15 GLU CG C 36.848 0.300 1 127 15 15 GLU N N 115.470 0.300 1 128 16 16 GLY H H 8.005 0.030 1 129 16 16 GLY HA2 H 3.711 0.030 2 130 16 16 GLY HA3 H 4.168 0.030 2 131 16 16 GLY C C 173.773 0.300 1 132 16 16 GLY CA C 45.609 0.300 1 133 16 16 GLY N N 107.875 0.300 1 134 17 17 ASP H H 8.517 0.030 1 135 17 17 ASP HA H 4.602 0.030 1 136 17 17 ASP HB2 H 2.646 0.030 2 137 17 17 ASP HB3 H 2.826 0.030 2 138 17 17 ASP C C 175.849 0.300 1 139 17 17 ASP CA C 53.927 0.300 1 140 17 17 ASP CB C 40.170 0.300 1 141 17 17 ASP N N 117.302 0.300 1 142 18 18 ARG H H 7.697 0.030 1 143 18 18 ARG HA H 5.006 0.030 1 144 18 18 ARG HB2 H 1.605 0.030 2 145 18 18 ARG HB3 H 1.856 0.030 2 146 18 18 ARG HD2 H 3.106 0.030 2 147 18 18 ARG HD3 H 3.142 0.030 2 148 18 18 ARG HE H 7.182 0.030 1 149 18 18 ARG HG2 H 1.534 0.030 1 150 18 18 ARG HG3 H 1.534 0.030 1 151 18 18 ARG C C 174.498 0.300 1 152 18 18 ARG CA C 54.001 0.300 1 153 18 18 ARG CB C 33.765 0.300 1 154 18 18 ARG CD C 43.108 0.300 1 155 18 18 ARG CG C 26.831 0.300 1 156 18 18 ARG N N 118.848 0.300 1 157 18 18 ARG NE N 84.909 0.300 1 158 19 19 LEU H H 9.357 0.030 1 159 19 19 LEU HA H 4.833 0.030 1 160 19 19 LEU HB2 H 1.562 0.030 1 161 19 19 LEU HB3 H 1.562 0.030 1 162 19 19 LEU HD1 H 0.699 0.030 1 163 19 19 LEU HD2 H 0.617 0.030 1 164 19 19 LEU HG H 1.490 0.030 1 165 19 19 LEU C C 175.012 0.300 1 166 19 19 LEU CA C 54.056 0.300 1 167 19 19 LEU CB C 45.441 0.300 1 168 19 19 LEU CD1 C 23.461 0.300 2 169 19 19 LEU CD2 C 24.928 0.300 2 170 19 19 LEU CG C 27.096 0.300 1 171 19 19 LEU N N 122.858 0.300 1 172 20 20 ILE H H 9.244 0.030 1 173 20 20 ILE HA H 5.253 0.030 1 174 20 20 ILE HB H 2.013 0.030 1 175 20 20 ILE HD1 H 0.789 0.030 1 176 20 20 ILE HG12 H 1.345 0.030 2 177 20 20 ILE HG13 H 1.433 0.030 2 178 20 20 ILE HG2 H 0.801 0.030 1 179 20 20 ILE C C 176.688 0.300 1 180 20 20 ILE CA C 58.546 0.300 1 181 20 20 ILE CB C 37.694 0.300 1 182 20 20 ILE CD1 C 11.077 0.300 1 183 20 20 ILE CG1 C 27.110 0.300 1 184 20 20 ILE CG2 C 17.276 0.300 1 185 20 20 ILE N N 123.637 0.300 1 186 21 21 GLY H H 9.344 0.030 1 187 21 21 GLY HA2 H 1.554 0.030 2 188 21 21 GLY HA3 H 4.358 0.030 2 189 21 21 GLY C C 171.025 0.300 1 190 21 21 GLY CA C 43.544 0.300 1 191 21 21 GLY N N 119.331 0.300 1 192 22 22 ARG H H 8.180 0.030 1 193 22 22 ARG HA H 4.809 0.030 1 194 22 22 ARG HB2 H 1.479 0.030 2 195 22 22 ARG HB3 H 1.624 0.030 2 196 22 22 ARG HD2 H 2.968 0.030 2 197 22 22 ARG HD3 H 3.055 0.030 2 198 22 22 ARG HE H 7.415 0.030 1 199 22 22 ARG HG2 H 1.139 0.030 2 200 22 22 ARG HG3 H 1.339 0.030 2 201 22 22 ARG C C 174.603 0.300 1 202 22 22 ARG CA C 54.587 0.300 1 203 22 22 ARG CB C 31.318 0.300 1 204 22 22 ARG CD C 43.345 0.300 1 205 22 22 ARG CG C 27.703 0.300 1 206 22 22 ARG N N 124.125 0.300 1 207 22 22 ARG NE N 84.647 0.300 1 208 23 23 VAL H H 9.148 0.030 1 209 23 23 VAL HA H 4.451 0.030 1 210 23 23 VAL HB H 1.956 0.030 1 211 23 23 VAL HG1 H 0.711 0.030 1 212 23 23 VAL HG2 H 0.700 0.030 1 213 23 23 VAL C C 173.547 0.300 1 214 23 23 VAL CA C 60.469 0.300 1 215 23 23 VAL CB C 34.106 0.300 1 216 23 23 VAL CG1 C 21.196 0.300 2 217 23 23 VAL CG2 C 21.068 0.300 2 218 23 23 VAL N N 128.326 0.300 1 219 24 24 ILE H H 8.533 0.030 1 220 24 24 ILE HA H 4.615 0.030 1 221 24 24 ILE HB H 1.687 0.030 1 222 24 24 ILE HD1 H 0.670 0.030 1 223 24 24 ILE HG12 H 0.896 0.030 2 224 24 24 ILE HG13 H 1.331 0.030 2 225 24 24 ILE HG2 H 0.560 0.030 1 226 24 24 ILE C C 175.178 0.300 1 227 24 24 ILE CA C 59.838 0.300 1 228 24 24 ILE CB C 38.907 0.300 1 229 24 24 ILE CD1 C 12.696 0.300 1 230 24 24 ILE CG1 C 27.602 0.300 1 231 24 24 ILE CG2 C 17.595 0.300 1 232 24 24 ILE N N 126.434 0.300 1 233 25 25 LEU H H 8.679 0.030 1 234 25 25 LEU HA H 4.631 0.030 1 235 25 25 LEU HB2 H 1.044 0.030 2 236 25 25 LEU HB3 H 1.653 0.030 2 237 25 25 LEU HD1 H 0.617 0.030 1 238 25 25 LEU HD2 H 0.608 0.030 1 239 25 25 LEU HG H 1.393 0.030 1 240 25 25 LEU C C 174.528 0.300 1 241 25 25 LEU CA C 52.708 0.300 1 242 25 25 LEU CB C 42.967 0.300 1 243 25 25 LEU CD1 C 26.138 0.300 2 244 25 25 LEU CD2 C 23.782 0.300 2 245 25 25 LEU CG C 26.348 0.300 1 246 25 25 LEU N N 124.940 0.300 1 247 26 26 ASN H H 8.765 0.030 1 248 26 26 ASN HA H 4.920 0.030 1 249 26 26 ASN HB2 H 2.627 0.030 2 250 26 26 ASN HB3 H 2.847 0.030 2 251 26 26 ASN HD21 H 6.955 0.030 2 252 26 26 ASN HD22 H 7.597 0.030 2 253 26 26 ASN C C 175.163 0.300 1 254 26 26 ASN CA C 52.572 0.300 1 255 26 26 ASN CB C 39.595 0.300 1 256 26 26 ASN N N 122.600 0.300 1 257 26 26 ASN ND2 N 112.406 0.300 1 258 27 27 LYS H H 8.620 0.030 1 259 27 27 LYS HA H 4.092 0.030 1 260 27 27 LYS HB2 H 1.695 0.030 2 261 27 27 LYS HB3 H 2.008 0.030 2 262 27 27 LYS HD2 H 1.725 0.030 2 263 27 27 LYS HD3 H 1.780 0.030 2 264 27 27 LYS HE2 H 2.769 0.030 2 265 27 27 LYS HE3 H 2.958 0.030 2 266 27 27 LYS HG2 H 1.297 0.030 1 267 27 27 LYS HG3 H 1.297 0.030 1 268 27 27 LYS C C 176.815 0.300 1 269 27 27 LYS CA C 57.293 0.300 1 270 27 27 LYS CB C 32.886 0.300 1 271 27 27 LYS CD C 29.612 0.300 1 272 27 27 LYS CE C 42.678 0.300 1 273 27 27 LYS CG C 25.622 0.300 1 274 27 27 LYS N N 123.335 0.300 1 275 28 28 ARG H H 8.351 0.030 1 276 28 28 ARG HA H 4.327 0.030 1 277 28 28 ARG HB2 H 1.864 0.030 2 278 28 28 ARG HB3 H 1.948 0.030 2 279 28 28 ARG HD2 H 3.222 0.030 1 280 28 28 ARG HD3 H 3.222 0.030 1 281 28 28 ARG HE H 6.943 0.030 1 282 28 28 ARG HG2 H 1.655 0.030 2 283 28 28 ARG HG3 H 1.741 0.030 2 284 28 28 ARG C C 176.710 0.300 1 285 28 28 ARG CA C 56.724 0.300 1 286 28 28 ARG CB C 30.050 0.300 1 287 28 28 ARG CD C 43.347 0.300 1 288 28 28 ARG CG C 27.481 0.300 1 289 28 28 ARG N N 119.158 0.300 1 290 29 29 THR H H 7.922 0.030 1 291 29 29 THR HA H 4.413 0.030 1 292 29 29 THR HB H 4.309 0.030 1 293 29 29 THR HG2 H 1.170 0.030 1 294 29 29 THR C C 174.398 0.300 1 295 29 29 THR CA C 61.763 0.300 1 296 29 29 THR CB C 69.456 0.300 1 297 29 29 THR CG2 C 21.315 0.300 1 298 29 29 THR N N 112.963 0.300 1 299 30 30 THR H H 7.994 0.030 1 300 30 30 THR HA H 4.323 0.030 1 301 30 30 THR HB H 4.276 0.030 1 302 30 30 THR HG2 H 1.196 0.030 1 303 30 30 THR C C 174.371 0.300 1 304 30 30 THR CA C 62.140 0.300 1 305 30 30 THR CB C 69.416 0.300 1 306 30 30 THR CG2 C 21.832 0.300 1 307 30 30 THR N N 114.876 0.300 1 308 31 31 MET H H 8.306 0.030 1 309 31 31 MET HA H 4.827 0.030 1 310 31 31 MET HB2 H 1.976 0.030 2 311 31 31 MET HB3 H 2.108 0.030 2 312 31 31 MET HE H 2.108 0.030 1 313 31 31 MET HG2 H 2.553 0.030 2 314 31 31 MET HG3 H 2.636 0.030 2 315 31 31 MET C C 174.413 0.300 1 316 31 31 MET CA C 53.580 0.300 1 317 31 31 MET CB C 32.524 0.300 1 318 31 31 MET CE C 17.228 0.300 1 319 31 31 MET CG C 32.195 0.300 1 320 31 31 MET N N 123.209 0.300 1 321 32 32 PRO HA H 4.380 0.030 1 322 32 32 PRO HB2 H 1.937 0.030 2 323 32 32 PRO HB3 H 2.296 0.030 2 324 32 32 PRO HD2 H 3.707 0.030 2 325 32 32 PRO HD3 H 3.840 0.030 2 326 32 32 PRO HG2 H 2.007 0.030 2 327 32 32 PRO HG3 H 2.065 0.030 2 328 32 32 PRO C C 177.434 0.300 1 329 32 32 PRO CA C 63.958 0.300 1 330 32 32 PRO CB C 32.002 0.300 1 331 32 32 PRO CD C 50.627 0.300 1 332 32 32 PRO CG C 27.595 0.300 1 333 33 33 LYS H H 8.371 0.030 1 334 33 33 LYS HA H 4.250 0.030 1 335 33 33 LYS HB2 H 1.803 0.030 2 336 33 33 LYS HB3 H 1.853 0.030 2 337 33 33 LYS HD2 H 1.669 0.030 1 338 33 33 LYS HD3 H 1.669 0.030 1 339 33 33 LYS HE2 H 3.003 0.030 1 340 33 33 LYS HE3 H 3.003 0.030 1 341 33 33 LYS HG2 H 1.411 0.030 1 342 33 33 LYS HG3 H 1.411 0.030 1 343 33 33 LYS C C 176.408 0.300 1 344 33 33 LYS CA C 56.824 0.300 1 345 33 33 LYS CB C 32.764 0.300 1 346 33 33 LYS CD C 29.090 0.300 1 347 33 33 LYS CE C 42.120 0.300 1 348 33 33 LYS CG C 24.702 0.300 1 349 33 33 LYS N N 119.739 0.300 1 350 34 34 ASP H H 8.228 0.030 1 351 34 34 ASP HA H 4.622 0.030 1 352 34 34 ASP HB2 H 2.697 0.030 2 353 34 34 ASP HB3 H 2.782 0.030 2 354 34 34 ASP C C 176.513 0.300 1 355 34 34 ASP CA C 54.548 0.300 1 356 34 34 ASP CB C 41.371 0.300 1 357 34 34 ASP N N 119.920 0.300 1 358 35 35 SER HA H 4.368 0.030 1 359 35 35 SER HB2 H 3.904 0.030 2 360 35 35 SER HB3 H 3.971 0.030 2 361 35 35 SER C C 174.416 0.300 1 362 35 35 SER CA C 59.684 0.300 1 363 35 35 SER CB C 63.761 0.300 1 364 36 36 GLY H H 8.505 0.030 1 365 36 36 GLY HA2 H 4.017 0.030 1 366 36 36 GLY HA3 H 4.017 0.030 1 367 36 36 GLY C C 171.860 0.300 1 368 36 36 GLY CA C 45.871 0.300 1 369 36 36 GLY N N 110.330 0.300 1 370 37 37 ALA H H 8.268 0.030 1 371 37 37 ALA HA H 4.323 0.030 1 372 37 37 ALA HB H 1.394 0.030 1 373 37 37 ALA C C 177.887 0.300 1 374 37 37 ALA CA C 53.247 0.300 1 375 37 37 ALA CB C 19.364 0.300 1 376 38 38 LEU H H 7.998 0.030 1 377 38 38 LEU HA H 4.351 0.030 1 378 38 38 LEU HB2 H 1.767 0.030 2 379 38 38 LEU HB3 H 1.954 0.030 2 380 38 38 LEU HD1 H 0.985 0.030 1 381 38 38 LEU HD2 H 0.878 0.030 1 382 38 38 LEU HG H 1.643 0.030 1 383 38 38 LEU C C 177.918 0.300 1 384 38 38 LEU CA C 55.769 0.300 1 385 38 38 LEU CB C 42.395 0.300 1 386 38 38 LEU CD1 C 25.369 0.300 2 387 38 38 LEU CD2 C 24.241 0.300 2 388 38 38 LEU CG C 27.957 0.300 1 389 38 38 LEU N N 117.918 0.300 1 390 39 39 LEU H H 8.237 0.030 1 391 39 39 LEU HA H 4.103 0.030 1 392 39 39 LEU HB2 H 1.529 0.030 2 393 39 39 LEU HB3 H 2.086 0.030 2 394 39 39 LEU HD1 H 0.842 0.030 1 395 39 39 LEU HD2 H 0.895 0.030 1 396 39 39 LEU HG H 1.782 0.030 1 397 39 39 LEU C C 176.106 0.300 1 398 39 39 LEU CA C 56.971 0.300 1 399 39 39 LEU CB C 41.028 0.300 1 400 39 39 LEU CD1 C 23.932 0.300 2 401 39 39 LEU CD2 C 26.296 0.300 2 402 39 39 LEU CG C 26.864 0.300 1 403 40 40 GLY H H 8.109 0.030 1 404 40 40 GLY HA2 H 3.669 0.030 1 405 40 40 GLY HA3 H 3.669 0.030 1 406 40 40 GLY C C 174.626 0.300 1 407 40 40 GLY CA C 44.958 0.300 1 408 40 40 GLY N N 102.714 0.300 1 409 41 41 LEU H H 7.681 0.030 1 410 41 41 LEU HA H 5.122 0.030 1 411 41 41 LEU HB2 H 1.286 0.030 2 412 41 41 LEU HB3 H 1.993 0.030 2 413 41 41 LEU HD1 H 0.919 0.030 1 414 41 41 LEU HD2 H 0.932 0.030 1 415 41 41 LEU HG H 1.653 0.030 1 416 41 41 LEU C C 176.181 0.300 1 417 41 41 LEU CA C 53.812 0.300 1 418 41 41 LEU CB C 45.680 0.300 1 419 41 41 LEU CD1 C 25.354 0.300 2 420 41 41 LEU CD2 C 25.967 0.300 2 421 41 41 LEU CG C 26.663 0.300 1 422 41 41 LEU N N 118.836 0.300 1 423 42 42 LYS H H 8.093 0.030 1 424 42 42 LYS HA H 4.635 0.030 1 425 42 42 LYS HB2 H 1.678 0.030 2 426 42 42 LYS HB3 H 1.798 0.030 2 427 42 42 LYS HD2 H 1.636 0.030 1 428 42 42 LYS HD3 H 1.636 0.030 1 429 42 42 LYS HE2 H 2.931 0.030 1 430 42 42 LYS HE3 H 2.931 0.030 1 431 42 42 LYS HG2 H 1.287 0.030 2 432 42 42 LYS HG3 H 1.383 0.030 2 433 42 42 LYS C C 174.974 0.300 1 434 42 42 LYS CA C 56.098 0.300 1 435 42 42 LYS CB C 34.819 0.300 1 436 42 42 LYS CD C 29.002 0.300 1 437 42 42 LYS CE C 42.251 0.300 1 438 42 42 LYS CG C 25.133 0.300 1 439 42 42 LYS N N 121.169 0.300 1 440 43 43 VAL H H 8.487 0.030 1 441 43 43 VAL HA H 4.904 0.030 1 442 43 43 VAL HB H 1.551 0.030 1 443 43 43 VAL HG1 H 0.532 0.030 1 444 43 43 VAL HG2 H 0.780 0.030 1 445 43 43 VAL C C 175.019 0.300 1 446 43 43 VAL CA C 60.341 0.300 1 447 43 43 VAL CB C 35.054 0.300 1 448 43 43 VAL CG1 C 21.188 0.300 2 449 43 43 VAL CG2 C 21.851 0.300 2 450 43 43 VAL N N 125.324 0.300 1 451 44 44 VAL H H 9.061 0.030 1 452 44 44 VAL HA H 4.481 0.030 1 453 44 44 VAL HB H 2.008 0.030 1 454 44 44 VAL HG1 H 1.052 0.030 1 455 44 44 VAL HG2 H 1.038 0.030 1 456 44 44 VAL C C 175.056 0.300 1 457 44 44 VAL CA C 61.071 0.300 1 458 44 44 VAL CB C 34.245 0.300 1 459 44 44 VAL CG1 C 21.070 0.300 2 460 44 44 VAL CG2 C 21.677 0.300 2 461 44 44 VAL N N 126.968 0.300 1 462 45 45 GLY H H 9.049 0.030 1 463 45 45 GLY HA2 H 3.406 0.030 2 464 45 45 GLY HA3 H 4.930 0.030 2 465 45 45 GLY C C 172.995 0.300 1 466 45 45 GLY CA C 43.348 0.300 1 467 45 45 GLY N N 112.066 0.300 1 468 46 46 GLY H H 7.976 0.030 1 469 46 46 GLY HA2 H 3.876 0.030 2 470 46 46 GLY HA3 H 4.024 0.030 2 471 46 46 GLY C C 173.954 0.300 1 472 46 46 GLY CA C 47.742 0.300 1 473 46 46 GLY N N 106.845 0.300 1 474 47 47 LYS H H 9.161 0.030 1 475 47 47 LYS HA H 4.470 0.030 1 476 47 47 LYS HB2 H 1.822 0.030 2 477 47 47 LYS HB3 H 1.948 0.030 2 478 47 47 LYS HD2 H 1.423 0.030 2 479 47 47 LYS HD3 H 1.580 0.030 2 480 47 47 LYS HE2 H 2.769 0.030 2 481 47 47 LYS HE3 H 2.793 0.030 2 482 47 47 LYS HG2 H 1.286 0.030 2 483 47 47 LYS HG3 H 1.434 0.030 2 484 47 47 LYS C C 176.303 0.300 1 485 47 47 LYS CA C 54.994 0.300 1 486 47 47 LYS CB C 33.336 0.300 1 487 47 47 LYS CD C 28.844 0.300 1 488 47 47 LYS CE C 41.793 0.300 1 489 47 47 LYS CG C 24.677 0.300 1 490 47 47 LYS N N 121.882 0.300 1 491 48 48 MET H H 8.810 0.030 1 492 48 48 MET HA H 4.648 0.030 1 493 48 48 MET HB2 H 1.999 0.030 1 494 48 48 MET HB3 H 1.999 0.030 1 495 48 48 MET HE H 1.997 0.030 1 496 48 48 MET HG2 H 2.533 0.030 2 497 48 48 MET HG3 H 2.657 0.030 2 498 48 48 MET C C 176.536 0.300 1 499 48 48 MET CA C 55.842 0.300 1 500 48 48 MET CB C 31.158 0.300 1 501 48 48 MET CE C 16.290 0.300 1 502 48 48 MET CG C 31.679 0.300 1 503 48 48 MET N N 125.560 0.300 1 504 49 49 THR H H 8.442 0.030 1 505 49 49 THR HA H 4.787 0.030 1 506 49 49 THR HB H 4.667 0.030 1 507 49 49 THR HG2 H 1.446 0.030 1 508 49 49 THR C C 176.045 0.300 1 509 49 49 THR CA C 60.355 0.300 1 510 49 49 THR CB C 72.285 0.300 1 511 49 49 THR CG2 C 20.955 0.300 1 512 49 49 THR N N 118.061 0.300 1 513 50 50 ASP H H 9.028 0.030 1 514 50 50 ASP HA H 4.427 0.030 1 515 50 50 ASP HB2 H 2.746 0.030 1 516 50 50 ASP HB3 H 2.746 0.030 1 517 50 50 ASP C C 176.680 0.300 1 518 50 50 ASP CA C 56.008 0.300 1 519 50 50 ASP CB C 39.965 0.300 1 520 50 50 ASP N N 120.906 0.300 1 521 51 51 LEU H H 7.790 0.030 1 522 51 51 LEU HA H 4.392 0.030 1 523 51 51 LEU HB2 H 1.624 0.030 2 524 51 51 LEU HB3 H 1.683 0.030 2 525 51 51 LEU HD1 H 0.934 0.030 1 526 51 51 LEU HD2 H 0.862 0.030 1 527 51 51 LEU HG H 1.690 0.030 1 528 51 51 LEU C C 178.130 0.300 1 529 51 51 LEU CA C 54.889 0.300 1 530 51 51 LEU CB C 41.933 0.300 1 531 51 51 LEU CD1 C 25.256 0.300 2 532 51 51 LEU CD2 C 22.769 0.300 2 533 51 51 LEU CG C 26.997 0.300 1 534 51 51 LEU N N 117.808 0.300 1 535 52 52 GLY H H 8.122 0.030 1 536 52 52 GLY HA2 H 3.819 0.030 2 537 52 52 GLY HA3 H 4.138 0.030 2 538 52 52 GLY C C 173.486 0.300 1 539 52 52 GLY CA C 46.116 0.300 1 540 52 52 GLY N N 107.396 0.300 1 541 53 53 ARG H H 6.975 0.030 1 542 53 53 ARG HA H 4.735 0.030 1 543 53 53 ARG HB2 H 1.693 0.030 2 544 53 53 ARG HB3 H 1.883 0.030 2 545 53 53 ARG HD2 H 3.062 0.030 2 546 53 53 ARG HD3 H 3.126 0.030 2 547 53 53 ARG HG2 H 1.464 0.030 2 548 53 53 ARG HG3 H 1.537 0.030 2 549 53 53 ARG C C 174.830 0.300 1 550 53 53 ARG CA C 53.441 0.300 1 551 53 53 ARG CB C 32.429 0.300 1 552 53 53 ARG CD C 43.585 0.300 1 553 53 53 ARG CG C 26.265 0.300 1 554 53 53 ARG N N 116.615 0.300 1 555 54 54 LEU H H 8.686 0.030 1 556 54 54 LEU HA H 4.779 0.030 1 557 54 54 LEU HB2 H 1.205 0.030 2 558 54 54 LEU HB3 H 1.471 0.030 2 559 54 54 LEU HD1 H 0.773 0.030 1 560 54 54 LEU HD2 H 0.714 0.030 1 561 54 54 LEU HG H 1.720 0.030 1 562 54 54 LEU C C 178.310 0.300 1 563 54 54 LEU CA C 54.671 0.300 1 564 54 54 LEU CB C 42.864 0.300 1 565 54 54 LEU CD1 C 24.877 0.300 2 566 54 54 LEU CD2 C 21.853 0.300 2 567 54 54 LEU CG C 26.728 0.300 1 568 54 54 LEU N N 121.560 0.300 1 569 55 55 GLY H H 9.608 0.030 1 570 55 55 GLY HA2 H 3.353 0.030 2 571 55 55 GLY HA3 H 4.595 0.030 2 572 55 55 GLY C C 170.104 0.300 1 573 55 55 GLY CA C 44.534 0.300 1 574 55 55 GLY N N 112.965 0.300 1 575 56 56 ALA H H 9.372 0.030 1 576 56 56 ALA HA H 5.600 0.030 1 577 56 56 ALA HB H 1.253 0.030 1 578 56 56 ALA C C 176.000 0.300 1 579 56 56 ALA CA C 49.135 0.300 1 580 56 56 ALA CB C 22.341 0.300 1 581 56 56 ALA N N 122.169 0.300 1 582 57 57 PHE H H 8.677 0.030 1 583 57 57 PHE HA H 5.319 0.030 1 584 57 57 PHE HB2 H 2.544 0.030 2 585 57 57 PHE HB3 H 2.860 0.030 2 586 57 57 PHE HD1 H 7.083 0.030 1 587 57 57 PHE HD2 H 7.083 0.030 1 588 57 57 PHE HE1 H 7.221 0.030 1 589 57 57 PHE HE2 H 7.221 0.030 1 590 57 57 PHE HZ H 7.220 0.030 1 591 57 57 PHE C C 175.548 0.300 1 592 57 57 PHE CA C 56.234 0.300 1 593 57 57 PHE CB C 43.852 0.300 1 594 57 57 PHE CD1 C 131.919 0.300 1 595 57 57 PHE CD2 C 131.919 0.300 1 596 57 57 PHE CE1 C 130.746 0.300 1 597 57 57 PHE CE2 C 130.746 0.300 1 598 57 57 PHE CZ C 129.487 0.300 1 599 57 57 PHE N N 117.243 0.300 1 600 58 58 ILE H H 9.060 0.030 1 601 58 58 ILE HA H 4.580 0.030 1 602 58 58 ILE HB H 2.156 0.030 1 603 58 58 ILE HD1 H 0.997 0.030 1 604 58 58 ILE HG12 H 0.914 0.030 2 605 58 58 ILE HG13 H 1.899 0.030 2 606 58 58 ILE HG2 H 0.785 0.030 1 607 58 58 ILE C C 177.835 0.300 1 608 58 58 ILE CA C 61.932 0.300 1 609 58 58 ILE CB C 38.057 0.300 1 610 58 58 ILE CD1 C 15.329 0.300 1 611 58 58 ILE CG1 C 28.806 0.300 1 612 58 58 ILE CG2 C 19.516 0.300 1 613 58 58 ILE N N 121.698 0.300 1 614 59 59 THR H H 9.309 0.030 1 615 59 59 THR HA H 4.653 0.030 1 616 59 59 THR HB H 4.281 0.030 1 617 59 59 THR HG2 H 1.169 0.030 1 618 59 59 THR C C 175.117 0.300 1 619 59 59 THR CA C 61.889 0.300 1 620 59 59 THR CB C 68.805 0.300 1 621 59 59 THR CG2 C 22.890 0.300 1 622 59 59 THR N N 121.116 0.300 1 623 60 60 LYS H H 7.425 0.030 1 624 60 60 LYS HA H 4.472 0.030 1 625 60 60 LYS HB2 H 1.633 0.030 2 626 60 60 LYS HB3 H 1.799 0.030 2 627 60 60 LYS HD2 H 1.668 0.030 1 628 60 60 LYS HD3 H 1.668 0.030 1 629 60 60 LYS HE2 H 2.948 0.030 1 630 60 60 LYS HE3 H 2.948 0.030 1 631 60 60 LYS HG2 H 1.315 0.030 2 632 60 60 LYS HG3 H 1.378 0.030 2 633 60 60 LYS C C 173.524 0.300 1 634 60 60 LYS CA C 56.399 0.300 1 635 60 60 LYS CB C 36.491 0.300 1 636 60 60 LYS CD C 29.068 0.300 1 637 60 60 LYS CE C 42.168 0.300 1 638 60 60 LYS CG C 25.014 0.300 1 639 60 60 LYS N N 121.875 0.300 1 640 61 61 VAL H H 8.554 0.030 1 641 61 61 VAL HA H 4.423 0.030 1 642 61 61 VAL HB H 1.827 0.030 1 643 61 61 VAL HG1 H 0.599 0.030 1 644 61 61 VAL HG2 H 0.627 0.030 1 645 61 61 VAL C C 175.510 0.300 1 646 61 61 VAL CA C 61.091 0.300 1 647 61 61 VAL CB C 34.246 0.300 1 648 61 61 VAL CG1 C 21.286 0.300 2 649 61 61 VAL CG2 C 20.710 0.300 2 650 61 61 VAL N N 123.625 0.300 1 651 62 62 LYS H H 9.100 0.030 1 652 62 62 LYS HA H 4.273 0.030 1 653 62 62 LYS HB2 H 1.742 0.030 2 654 62 62 LYS HB3 H 1.854 0.030 2 655 62 62 LYS HD2 H 1.689 0.030 2 656 62 62 LYS HD3 H 1.756 0.030 2 657 62 62 LYS HE2 H 3.027 0.030 1 658 62 62 LYS HE3 H 3.027 0.030 1 659 62 62 LYS HG2 H 1.410 0.030 2 660 62 62 LYS HG3 H 1.476 0.030 2 661 62 62 LYS C C 177.359 0.300 1 662 62 62 LYS CA C 56.271 0.300 1 663 62 62 LYS CB C 32.836 0.300 1 664 62 62 LYS CD C 29.332 0.300 1 665 62 62 LYS CE C 42.207 0.300 1 666 62 62 LYS CG C 24.597 0.300 1 667 62 62 LYS N N 129.084 0.300 1 668 63 63 LYS H H 9.247 0.030 1 669 63 63 LYS HA H 4.196 0.030 1 670 63 63 LYS HB2 H 1.791 0.030 2 671 63 63 LYS HB3 H 1.873 0.030 2 672 63 63 LYS HD2 H 1.733 0.030 1 673 63 63 LYS HD3 H 1.733 0.030 1 674 63 63 LYS HE2 H 3.016 0.030 1 675 63 63 LYS HE3 H 3.016 0.030 1 676 63 63 LYS HG2 H 1.444 0.030 2 677 63 63 LYS HG3 H 1.538 0.030 2 678 63 63 LYS C C 178.507 0.300 1 679 63 63 LYS CA C 57.684 0.300 1 680 63 63 LYS CB C 31.644 0.300 1 681 63 63 LYS CD C 28.831 0.300 1 682 63 63 LYS CE C 42.128 0.300 1 683 63 63 LYS CG C 24.509 0.300 1 684 63 63 LYS N N 134.173 0.300 1 685 64 64 GLY H H 10.935 0.030 1 686 64 64 GLY HA2 H 3.623 0.030 2 687 64 64 GLY HA3 H 4.342 0.030 2 688 64 64 GLY C C 173.962 0.300 1 689 64 64 GLY CA C 45.439 0.300 1 690 64 64 GLY N N 117.138 0.300 1 691 65 65 SER H H 7.859 0.030 1 692 65 65 SER HA H 4.525 0.030 1 693 65 65 SER HB2 H 3.814 0.030 2 694 65 65 SER HB3 H 4.371 0.030 2 695 65 65 SER C C 174.966 0.300 1 696 65 65 SER CA C 58.126 0.300 1 697 65 65 SER CB C 65.903 0.300 1 698 65 65 SER N N 115.270 0.300 1 699 66 66 LEU H H 9.113 0.030 1 700 66 66 LEU HA H 4.063 0.030 1 701 66 66 LEU HB2 H 1.482 0.030 2 702 66 66 LEU HB3 H 1.855 0.030 2 703 66 66 LEU HD1 H 0.917 0.030 1 704 66 66 LEU HD2 H 0.933 0.030 1 705 66 66 LEU HG H 1.798 0.030 1 706 66 66 LEU C C 179.337 0.300 1 707 66 66 LEU CA C 58.740 0.300 1 708 66 66 LEU CB C 42.983 0.300 1 709 66 66 LEU CD1 C 23.932 0.300 2 710 66 66 LEU CD2 C 25.529 0.300 2 711 66 66 LEU CG C 27.221 0.300 1 712 66 66 LEU N N 121.744 0.300 1 713 67 67 ALA H H 8.385 0.030 1 714 67 67 ALA HA H 3.675 0.030 1 715 67 67 ALA HB H 1.366 0.030 1 716 67 67 ALA C C 176.317 0.300 1 717 67 67 ALA CA C 55.629 0.300 1 718 67 67 ALA CB C 19.457 0.300 1 719 67 67 ALA N N 118.308 0.300 1 720 68 68 ASP H H 7.123 0.030 1 721 68 68 ASP HA H 4.439 0.030 1 722 68 68 ASP HB2 H 2.757 0.030 2 723 68 68 ASP HB3 H 3.003 0.030 2 724 68 68 ASP C C 176.913 0.300 1 725 68 68 ASP CA C 56.402 0.300 1 726 68 68 ASP CB C 43.668 0.300 1 727 68 68 ASP N N 114.127 0.300 1 728 69 69 VAL H H 8.503 0.030 1 729 69 69 VAL HA H 3.686 0.030 1 730 69 69 VAL HB H 2.116 0.030 1 731 69 69 VAL HG1 H 0.968 0.030 1 732 69 69 VAL HG2 H 0.978 0.030 1 733 69 69 VAL C C 176.619 0.300 1 734 69 69 VAL CA C 65.136 0.300 1 735 69 69 VAL CB C 32.329 0.300 1 736 69 69 VAL CG1 C 20.921 0.300 2 737 69 69 VAL CG2 C 21.818 0.300 2 738 69 69 VAL N N 112.640 0.300 1 739 70 70 VAL H H 7.928 0.030 1 740 70 70 VAL HA H 4.062 0.030 1 741 70 70 VAL HB H 2.081 0.030 1 742 70 70 VAL HG1 H 1.005 0.030 1 743 70 70 VAL HG2 H 0.833 0.030 1 744 70 70 VAL C C 177.238 0.300 1 745 70 70 VAL CA C 63.786 0.300 1 746 70 70 VAL CB C 31.999 0.300 1 747 70 70 VAL CG1 C 22.342 0.300 2 748 70 70 VAL CG2 C 21.554 0.300 2 749 70 70 VAL N N 117.434 0.300 1 750 71 71 GLY H H 7.549 0.030 1 751 71 71 GLY HA2 H 3.295 0.030 2 752 71 71 GLY HA3 H 3.737 0.030 2 753 71 71 GLY C C 171.372 0.300 1 754 71 71 GLY CA C 47.142 0.300 1 755 71 71 GLY N N 102.355 0.300 1 756 72 72 HIS H H 7.253 0.030 1 757 72 72 HIS HA H 4.792 0.030 1 758 72 72 HIS HB2 H 3.375 0.030 2 759 72 72 HIS HB3 H 3.589 0.030 2 760 72 72 HIS HD2 H 7.068 0.030 1 761 72 72 HIS HE1 H 8.289 0.030 1 762 72 72 HIS C C 176.250 0.300 1 763 72 72 HIS CA C 55.614 0.300 1 764 72 72 HIS CB C 27.288 0.300 1 765 72 72 HIS CD2 C 119.595 0.300 1 766 72 72 HIS CE1 C 136.658 0.300 1 767 72 72 HIS N N 111.337 0.300 1 768 73 73 LEU H H 7.960 0.030 1 769 73 73 LEU HA H 4.236 0.030 1 770 73 73 LEU HB2 H 1.389 0.030 2 771 73 73 LEU HB3 H 1.539 0.030 2 772 73 73 LEU HD1 H 0.870 0.030 1 773 73 73 LEU HD2 H 0.969 0.030 1 774 73 73 LEU HG H 1.683 0.030 1 775 73 73 LEU C C 175.706 0.300 1 776 73 73 LEU CA C 54.718 0.300 1 777 73 73 LEU CB C 42.507 0.300 1 778 73 73 LEU CD1 C 25.743 0.300 2 779 73 73 LEU CD2 C 23.600 0.300 2 780 73 73 LEU CG C 27.064 0.300 1 781 73 73 LEU N N 116.598 0.300 1 782 74 74 ARG H H 8.618 0.030 1 783 74 74 ARG HA H 4.587 0.030 1 784 74 74 ARG HB2 H 1.689 0.030 2 785 74 74 ARG HB3 H 1.801 0.030 2 786 74 74 ARG HD2 H 2.986 0.030 2 787 74 74 ARG HD3 H 3.092 0.030 2 788 74 74 ARG HG2 H 1.549 0.030 2 789 74 74 ARG HG3 H 1.696 0.030 2 790 74 74 ARG C C 174.799 0.300 1 791 74 74 ARG CA C 54.665 0.300 1 792 74 74 ARG CB C 35.277 0.300 1 793 74 74 ARG CD C 44.221 0.300 1 794 74 74 ARG CG C 26.806 0.300 1 795 74 74 ARG N N 118.459 0.300 1 796 75 75 ALA H H 8.647 0.030 1 797 75 75 ALA HA H 3.806 0.030 1 798 75 75 ALA HB H 1.254 0.030 1 799 75 75 ALA C C 178.666 0.300 1 800 75 75 ALA CA C 53.213 0.300 1 801 75 75 ALA CB C 17.508 0.300 1 802 75 75 ALA N N 122.425 0.300 1 803 76 76 GLY H H 9.307 0.030 1 804 76 76 GLY HA2 H 3.716 0.030 2 805 76 76 GLY HA3 H 4.600 0.030 2 806 76 76 GLY C C 174.709 0.300 1 807 76 76 GLY CA C 44.704 0.300 1 808 76 76 GLY N N 113.400 0.300 1 809 77 77 ASP H H 8.033 0.030 1 810 77 77 ASP HA H 4.831 0.030 1 811 77 77 ASP HB2 H 2.493 0.030 2 812 77 77 ASP HB3 H 2.936 0.030 2 813 77 77 ASP C C 175.381 0.300 1 814 77 77 ASP CA C 56.307 0.300 1 815 77 77 ASP CB C 40.895 0.300 1 816 77 77 ASP N N 123.547 0.300 1 817 78 78 GLU H H 9.013 0.030 1 818 78 78 GLU HA H 4.405 0.030 1 819 78 78 GLU HB2 H 1.860 0.030 2 820 78 78 GLU HB3 H 1.985 0.030 2 821 78 78 GLU HG2 H 1.648 0.030 1 822 78 78 GLU HG3 H 1.648 0.030 1 823 78 78 GLU C C 176.333 0.300 1 824 78 78 GLU CA C 54.785 0.300 1 825 78 78 GLU CB C 30.550 0.300 1 826 78 78 GLU CG C 35.836 0.300 1 827 78 78 GLU N N 125.027 0.300 1 828 79 79 VAL H H 8.940 0.030 1 829 79 79 VAL HA H 4.310 0.030 1 830 79 79 VAL HB H 1.892 0.030 1 831 79 79 VAL HG1 H 0.883 0.030 1 832 79 79 VAL HG2 H 1.044 0.030 1 833 79 79 VAL C C 174.935 0.300 1 834 79 79 VAL CA C 61.996 0.300 1 835 79 79 VAL CB C 31.151 0.300 1 836 79 79 VAL CG1 C 21.604 0.300 2 837 79 79 VAL CG2 C 24.077 0.300 2 838 79 79 VAL N N 126.791 0.300 1 839 80 80 LEU H H 9.409 0.030 1 840 80 80 LEU HA H 4.357 0.030 1 841 80 80 LEU HB2 H 1.515 0.030 1 842 80 80 LEU HB3 H 1.515 0.030 1 843 80 80 LEU HD1 H 0.728 0.030 1 844 80 80 LEU HD2 H 0.874 0.030 1 845 80 80 LEU HG H 1.492 0.030 1 846 80 80 LEU C C 179.579 0.300 1 847 80 80 LEU CA C 55.859 0.300 1 848 80 80 LEU CB C 42.305 0.300 1 849 80 80 LEU CD1 C 21.696 0.300 2 850 80 80 LEU CD2 C 25.571 0.300 2 851 80 80 LEU CG C 26.976 0.300 1 852 80 80 LEU N N 126.895 0.300 1 853 81 81 GLU H H 7.991 0.030 1 854 81 81 GLU HA H 5.062 0.030 1 855 81 81 GLU HB2 H 1.727 0.030 1 856 81 81 GLU HB3 H 1.727 0.030 1 857 81 81 GLU HG2 H 1.814 0.030 2 858 81 81 GLU HG3 H 1.877 0.030 2 859 81 81 GLU C C 173.501 0.300 1 860 81 81 GLU CA C 55.767 0.300 1 861 81 81 GLU CB C 35.599 0.300 1 862 81 81 GLU CG C 36.822 0.300 1 863 81 81 GLU N N 119.604 0.300 1 864 82 82 TRP H H 8.635 0.030 1 865 82 82 TRP HA H 4.700 0.030 1 866 82 82 TRP HB2 H 2.717 0.030 2 867 82 82 TRP HB3 H 3.281 0.030 2 868 82 82 TRP HD1 H 6.867 0.030 1 869 82 82 TRP HE1 H 10.077 0.030 1 870 82 82 TRP HE3 H 7.300 0.030 1 871 82 82 TRP HH2 H 6.952 0.030 1 872 82 82 TRP HZ2 H 7.373 0.030 1 873 82 82 TRP HZ3 H 6.681 0.030 1 874 82 82 TRP C C 175.441 0.300 1 875 82 82 TRP CA C 56.233 0.300 1 876 82 82 TRP CB C 31.046 0.300 1 877 82 82 TRP CD1 C 125.174 0.300 1 878 82 82 TRP CE3 C 119.366 0.300 1 879 82 82 TRP CH2 C 123.696 0.300 1 880 82 82 TRP CZ2 C 114.851 0.300 1 881 82 82 TRP CZ3 C 120.866 0.300 1 882 82 82 TRP N N 123.799 0.300 1 883 82 82 TRP NE1 N 127.863 0.300 1 884 83 83 ASN H H 9.370 0.030 1 885 83 83 ASN HA H 4.570 0.030 1 886 83 83 ASN HB2 H 2.404 0.030 2 887 83 83 ASN HB3 H 3.594 0.030 2 888 83 83 ASN HD21 H 6.928 0.030 2 889 83 83 ASN HD22 H 8.240 0.030 2 890 83 83 ASN C C 175.449 0.300 1 891 83 83 ASN CA C 53.835 0.300 1 892 83 83 ASN CB C 38.245 0.300 1 893 83 83 ASN N N 129.843 0.300 1 894 83 83 ASN ND2 N 109.930 0.300 1 895 84 84 GLY H H 9.380 0.030 1 896 84 84 GLY HA2 H 3.751 0.030 2 897 84 84 GLY HA3 H 4.079 0.030 2 898 84 84 GLY C C 174.332 0.300 1 899 84 84 GLY CA C 45.140 0.300 1 900 84 84 GLY N N 104.395 0.300 1 901 85 85 LYS H H 7.773 0.030 1 902 85 85 LYS HA H 4.916 0.030 1 903 85 85 LYS HB2 H 1.783 0.030 2 904 85 85 LYS HB3 H 2.171 0.030 2 905 85 85 LYS HD2 H 1.714 0.030 2 906 85 85 LYS HD3 H 1.763 0.030 2 907 85 85 LYS HE2 H 3.063 0.030 1 908 85 85 LYS HE3 H 3.063 0.030 1 909 85 85 LYS HG2 H 1.492 0.030 2 910 85 85 LYS HG3 H 1.599 0.030 2 911 85 85 LYS C C 174.096 0.300 1 912 85 85 LYS CA C 52.453 0.300 1 913 85 85 LYS CB C 32.462 0.300 1 914 85 85 LYS CD C 29.207 0.300 1 915 85 85 LYS CE C 42.451 0.300 1 916 85 85 LYS CG C 25.378 0.300 1 917 85 85 LYS N N 121.656 0.300 1 918 86 86 PRO HA H 4.901 0.030 1 919 86 86 PRO HB2 H 2.118 0.030 2 920 86 86 PRO HB3 H 2.357 0.030 2 921 86 86 PRO HD2 H 3.817 0.030 2 922 86 86 PRO HD3 H 4.009 0.030 2 923 86 86 PRO HG2 H 2.049 0.030 2 924 86 86 PRO HG3 H 2.226 0.030 2 925 86 86 PRO C C 176.801 0.300 1 926 86 86 PRO CA C 62.385 0.300 1 927 86 86 PRO CB C 32.266 0.300 1 928 86 86 PRO CD C 51.110 0.300 1 929 86 86 PRO CG C 27.360 0.300 1 930 87 87 LEU H H 7.770 0.030 1 931 87 87 LEU HA H 4.633 0.030 1 932 87 87 LEU HB2 H 1.333 0.030 2 933 87 87 LEU HB3 H 2.127 0.030 2 934 87 87 LEU HD1 H 0.797 0.030 1 935 87 87 LEU HD2 H 0.743 0.030 1 936 87 87 LEU HG H 1.584 0.030 1 937 87 87 LEU C C 174.912 0.300 1 938 87 87 LEU CA C 55.577 0.300 1 939 87 87 LEU CB C 40.573 0.300 1 940 87 87 LEU CD1 C 26.180 0.300 2 941 87 87 LEU CD2 C 23.122 0.300 2 942 87 87 LEU CG C 27.304 0.300 1 943 87 87 LEU N N 121.029 0.300 1 944 88 88 PRO HA H 4.565 0.030 1 945 88 88 PRO HB2 H 1.773 0.030 2 946 88 88 PRO HB3 H 2.224 0.030 2 947 88 88 PRO HD2 H 3.736 0.030 2 948 88 88 PRO HD3 H 4.262 0.030 2 949 88 88 PRO HG2 H 2.163 0.030 2 950 88 88 PRO HG3 H 2.265 0.030 2 951 88 88 PRO C C 178.187 0.300 1 952 88 88 PRO CA C 65.911 0.300 1 953 88 88 PRO CB C 30.699 0.300 1 954 88 88 PRO CD C 52.091 0.300 1 955 88 88 PRO CG C 28.315 0.300 1 956 89 89 GLY H H 8.869 0.030 1 957 89 89 GLY HA2 H 3.788 0.030 2 958 89 89 GLY HA3 H 4.381 0.030 2 959 89 89 GLY C C 173.071 0.300 1 960 89 89 GLY CA C 45.362 0.300 1 961 89 89 GLY N N 112.443 0.300 1 962 90 90 ALA H H 7.791 0.030 1 963 90 90 ALA HA H 4.606 0.030 1 964 90 90 ALA HB H 1.448 0.030 1 965 90 90 ALA C C 177.918 0.300 1 966 90 90 ALA CA C 51.438 0.300 1 967 90 90 ALA CB C 19.667 0.300 1 968 90 90 ALA N N 123.959 0.300 1 969 91 91 THR H H 8.713 0.030 1 970 91 91 THR HA H 4.226 0.030 1 971 91 91 THR HB H 4.737 0.030 1 972 91 91 THR HG2 H 1.340 0.030 1 973 91 91 THR C C 175.222 0.300 1 974 91 91 THR CA C 60.967 0.300 1 975 91 91 THR CB C 71.207 0.300 1 976 91 91 THR CG2 C 21.929 0.300 1 977 91 91 THR N N 110.173 0.300 1 978 92 92 ASN H H 9.206 0.030 1 979 92 92 ASN HA H 3.962 0.030 1 980 92 92 ASN HB2 H 2.724 0.030 2 981 92 92 ASN HB3 H 2.942 0.030 2 982 92 92 ASN HD21 H 6.927 0.030 2 983 92 92 ASN HD22 H 7.716 0.030 2 984 92 92 ASN C C 177.133 0.300 1 985 92 92 ASN CA C 57.971 0.300 1 986 92 92 ASN CB C 38.930 0.300 1 987 92 92 ASN N N 117.923 0.300 1 988 92 92 ASN ND2 N 114.086 0.300 1 989 93 93 GLU H H 8.668 0.030 1 990 93 93 GLU HA H 3.985 0.030 1 991 93 93 GLU HB2 H 1.927 0.030 2 992 93 93 GLU HB3 H 2.042 0.030 2 993 93 93 GLU HG2 H 2.271 0.030 2 994 93 93 GLU HG3 H 2.333 0.030 2 995 93 93 GLU C C 178.514 0.300 1 996 93 93 GLU CA C 59.914 0.300 1 997 93 93 GLU CB C 29.368 0.300 1 998 93 93 GLU CG C 36.695 0.300 1 999 93 93 GLU N N 118.430 0.300 1 1000 94 94 GLU H H 7.654 0.030 1 1001 94 94 GLU HA H 4.016 0.030 1 1002 94 94 GLU HB2 H 1.914 0.030 2 1003 94 94 GLU HB3 H 2.374 0.030 2 1004 94 94 GLU HG2 H 2.284 0.030 2 1005 94 94 GLU HG3 H 2.375 0.030 2 1006 94 94 GLU C C 179.880 0.300 1 1007 94 94 GLU CA C 59.165 0.300 1 1008 94 94 GLU CB C 30.067 0.300 1 1009 94 94 GLU CG C 37.335 0.300 1 1010 94 94 GLU N N 119.819 0.300 1 1011 95 95 VAL H H 8.371 0.030 1 1012 95 95 VAL HA H 3.311 0.030 1 1013 95 95 VAL HB H 2.089 0.030 1 1014 95 95 VAL HG1 H 0.638 0.030 1 1015 95 95 VAL HG2 H 1.092 0.030 1 1016 95 95 VAL C C 176.430 0.300 1 1017 95 95 VAL CA C 67.430 0.300 1 1018 95 95 VAL CB C 31.495 0.300 1 1019 95 95 VAL CG1 C 21.384 0.300 2 1020 95 95 VAL CG2 C 25.106 0.300 2 1021 95 95 VAL N N 119.736 0.300 1 1022 96 96 TYR H H 8.275 0.030 1 1023 96 96 TYR HA H 3.812 0.030 1 1024 96 96 TYR HB2 H 3.078 0.030 1 1025 96 96 TYR HB3 H 3.078 0.030 1 1026 96 96 TYR HD1 H 7.126 0.030 1 1027 96 96 TYR HD2 H 7.126 0.030 1 1028 96 96 TYR HE1 H 6.818 0.030 1 1029 96 96 TYR HE2 H 6.818 0.030 1 1030 96 96 TYR C C 177.858 0.300 1 1031 96 96 TYR CA C 61.763 0.300 1 1032 96 96 TYR CB C 37.763 0.300 1 1033 96 96 TYR CD1 C 133.207 0.300 1 1034 96 96 TYR CD2 C 133.207 0.300 1 1035 96 96 TYR CE1 C 118.017 0.300 1 1036 96 96 TYR CE2 C 118.017 0.300 1 1037 96 96 TYR N N 119.223 0.300 1 1038 97 97 ASN H H 8.033 0.030 1 1039 97 97 ASN HA H 4.355 0.030 1 1040 97 97 ASN HB2 H 2.795 0.030 2 1041 97 97 ASN HB3 H 2.870 0.030 2 1042 97 97 ASN HD21 H 7.019 0.030 2 1043 97 97 ASN HD22 H 7.643 0.030 2 1044 97 97 ASN C C 177.624 0.300 1 1045 97 97 ASN CA C 56.396 0.300 1 1046 97 97 ASN CB C 38.218 0.300 1 1047 97 97 ASN N N 117.432 0.300 1 1048 97 97 ASN ND2 N 112.511 0.300 1 1049 98 98 ILE H H 8.001 0.030 1 1050 98 98 ILE HA H 3.648 0.030 1 1051 98 98 ILE HB H 1.798 0.030 1 1052 98 98 ILE HD1 H 0.707 0.030 1 1053 98 98 ILE HG12 H 0.960 0.030 2 1054 98 98 ILE HG13 H 1.790 0.030 2 1055 98 98 ILE HG2 H 0.896 0.030 1 1056 98 98 ILE C C 178.846 0.300 1 1057 98 98 ILE CA C 65.355 0.300 1 1058 98 98 ILE CB C 38.566 0.300 1 1059 98 98 ILE CD1 C 13.826 0.300 1 1060 98 98 ILE CG1 C 30.252 0.300 1 1061 98 98 ILE CG2 C 17.149 0.300 1 1062 98 98 ILE N N 123.179 0.300 1 1063 99 99 ILE H H 7.933 0.030 1 1064 99 99 ILE HA H 2.865 0.030 1 1065 99 99 ILE HB H 1.310 0.030 1 1066 99 99 ILE HD1 H -0.183 0.030 1 1067 99 99 ILE HG12 H -1.342 0.030 2 1068 99 99 ILE HG13 H 0.766 0.030 2 1069 99 99 ILE HG2 H 0.304 0.030 1 1070 99 99 ILE C C 180.870 0.300 1 1071 99 99 ILE CA C 65.306 0.300 1 1072 99 99 ILE CB C 36.895 0.300 1 1073 99 99 ILE CD1 C 12.666 0.300 1 1074 99 99 ILE CG1 C 27.026 0.300 1 1075 99 99 ILE CG2 C 16.157 0.300 1 1076 99 99 ILE N N 121.283 0.300 1 1077 100 100 LEU H H 8.505 0.030 1 1078 100 100 LEU HA H 3.874 0.030 1 1079 100 100 LEU HB2 H 1.400 0.030 2 1080 100 100 LEU HB3 H 1.648 0.030 2 1081 100 100 LEU HD1 H 0.804 0.030 1 1082 100 100 LEU HD2 H 0.832 0.030 1 1083 100 100 LEU HG H 1.451 0.030 1 1084 100 100 LEU C C 180.296 0.300 1 1085 100 100 LEU CA C 58.313 0.300 1 1086 100 100 LEU CB C 41.682 0.300 1 1087 100 100 LEU CD1 C 23.958 0.300 2 1088 100 100 LEU CD2 C 24.440 0.300 2 1089 100 100 LEU CG C 26.864 0.300 1 1090 100 100 LEU N N 124.690 0.300 1 1091 101 101 GLU H H 8.228 0.030 1 1092 101 101 GLU HA H 4.102 0.030 1 1093 101 101 GLU HB2 H 2.175 0.030 1 1094 101 101 GLU HB3 H 2.175 0.030 1 1095 101 101 GLU HG2 H 2.369 0.030 2 1096 101 101 GLU HG3 H 2.506 0.030 2 1097 101 101 GLU C C 177.767 0.300 1 1098 101 101 GLU CA C 58.821 0.300 1 1099 101 101 GLU CB C 29.289 0.300 1 1100 101 101 GLU CG C 36.673 0.300 1 1101 101 101 GLU N N 119.119 0.300 1 1102 102 102 SER H H 7.731 0.030 1 1103 102 102 SER HA H 4.764 0.030 1 1104 102 102 SER HB2 H 4.309 0.030 2 1105 102 102 SER HB3 H 4.355 0.030 2 1106 102 102 SER C C 175.579 0.300 1 1107 102 102 SER CA C 58.962 0.300 1 1108 102 102 SER CB C 65.027 0.300 1 1109 102 102 SER N N 112.564 0.300 1 1110 103 103 LYS H H 7.856 0.030 1 1111 103 103 LYS HA H 4.071 0.030 1 1112 103 103 LYS HB2 H 1.974 0.030 2 1113 103 103 LYS HB3 H 2.107 0.030 2 1114 103 103 LYS HD2 H 1.731 0.030 1 1115 103 103 LYS HD3 H 1.731 0.030 1 1116 103 103 LYS HE2 H 3.004 0.030 1 1117 103 103 LYS HE3 H 3.004 0.030 1 1118 103 103 LYS HG2 H 1.539 0.030 1 1119 103 103 LYS HG3 H 1.539 0.030 1 1120 103 103 LYS C C 177.306 0.300 1 1121 103 103 LYS CA C 60.138 0.300 1 1122 103 103 LYS CB C 32.751 0.300 1 1123 103 103 LYS CD C 29.621 0.300 1 1124 103 103 LYS CE C 42.109 0.300 1 1125 103 103 LYS CG C 24.626 0.300 1 1126 103 103 LYS N N 124.341 0.300 1 1127 104 104 SER H H 8.209 0.030 1 1128 104 104 SER HA H 4.427 0.030 1 1129 104 104 SER HB2 H 3.929 0.030 2 1130 104 104 SER HB3 H 4.001 0.030 2 1131 104 104 SER C C 174.709 0.300 1 1132 104 104 SER CA C 58.785 0.300 1 1133 104 104 SER CB C 63.228 0.300 1 1134 104 104 SER N N 111.692 0.300 1 1135 105 105 GLU H H 7.727 0.030 1 1136 105 105 GLU HA H 4.589 0.030 1 1137 105 105 GLU HB2 H 2.018 0.030 2 1138 105 105 GLU HB3 H 2.248 0.030 2 1139 105 105 GLU HG2 H 2.327 0.030 2 1140 105 105 GLU HG3 H 2.423 0.030 2 1141 105 105 GLU C C 176.513 0.300 1 1142 105 105 GLU CA C 53.915 0.300 1 1143 105 105 GLU CB C 29.556 0.300 1 1144 105 105 GLU CG C 35.901 0.300 1 1145 105 105 GLU N N 122.930 0.300 1 1146 106 106 PRO HA H 4.429 0.030 1 1147 106 106 PRO HB2 H 2.043 0.030 2 1148 106 106 PRO HB3 H 2.255 0.030 2 1149 106 106 PRO HD2 H 3.868 0.030 2 1150 106 106 PRO HD3 H 4.005 0.030 2 1151 106 106 PRO HG2 H 2.044 0.030 2 1152 106 106 PRO HG3 H 2.095 0.030 2 1153 106 106 PRO C C 174.990 0.300 1 1154 106 106 PRO CA C 64.341 0.300 1 1155 106 106 PRO CB C 32.022 0.300 1 1156 106 106 PRO CD C 50.733 0.300 1 1157 106 106 PRO CG C 27.112 0.300 1 1158 107 107 GLN H H 7.395 0.030 1 1159 107 107 GLN HA H 5.142 0.030 1 1160 107 107 GLN HB2 H 1.954 0.030 2 1161 107 107 GLN HB3 H 1.816 0.030 2 1162 107 107 GLN HE21 H 6.809 0.030 2 1163 107 107 GLN HE22 H 7.644 0.030 2 1164 107 107 GLN HG2 H 2.005 0.030 1 1165 107 107 GLN HG3 H 2.005 0.030 1 1166 107 107 GLN C C 173.894 0.300 1 1167 107 107 GLN CA C 54.057 0.300 1 1168 107 107 GLN CB C 32.254 0.300 1 1169 107 107 GLN CG C 33.980 0.300 1 1170 107 107 GLN N N 115.221 0.300 1 1171 107 107 GLN NE2 N 112.565 0.300 1 1172 108 108 VAL H H 8.471 0.030 1 1173 108 108 VAL HA H 4.481 0.030 1 1174 108 108 VAL HB H 1.445 0.030 1 1175 108 108 VAL HG1 H 0.242 0.030 1 1176 108 108 VAL HG2 H 0.665 0.030 1 1177 108 108 VAL C C 172.844 0.300 1 1178 108 108 VAL CA C 60.029 0.300 1 1179 108 108 VAL CB C 35.416 0.300 1 1180 108 108 VAL CG1 C 20.403 0.300 2 1181 108 108 VAL CG2 C 20.906 0.300 2 1182 108 108 VAL N N 120.937 0.300 1 1183 109 109 GLU H H 8.251 0.030 1 1184 109 109 GLU HA H 5.090 0.030 1 1185 109 109 GLU HB2 H 1.685 0.030 2 1186 109 109 GLU HB3 H 1.864 0.030 2 1187 109 109 GLU HG2 H 1.800 0.030 2 1188 109 109 GLU HG3 H 1.899 0.030 2 1189 109 109 GLU C C 174.558 0.300 1 1190 109 109 GLU CA C 53.944 0.300 1 1191 109 109 GLU CB C 31.942 0.300 1 1192 109 109 GLU CG C 36.823 0.300 1 1193 109 109 GLU N N 126.919 0.300 1 1194 110 110 ILE H H 9.164 0.030 1 1195 110 110 ILE HA H 4.490 0.030 1 1196 110 110 ILE HB H 1.294 0.030 1 1197 110 110 ILE HD1 H 0.198 0.030 1 1198 110 110 ILE HG12 H -0.065 0.030 2 1199 110 110 ILE HG13 H 0.875 0.030 2 1200 110 110 ILE HG2 H 0.686 0.030 1 1201 110 110 ILE C C 174.196 0.300 1 1202 110 110 ILE CA C 59.731 0.300 1 1203 110 110 ILE CB C 42.123 0.300 1 1204 110 110 ILE CD1 C 14.315 0.300 1 1205 110 110 ILE CG1 C 26.547 0.300 1 1206 110 110 ILE CG2 C 18.499 0.300 1 1207 110 110 ILE N N 127.243 0.300 1 1208 111 111 ILE H H 8.222 0.030 1 1209 111 111 ILE HA H 5.349 0.030 1 1210 111 111 ILE HB H 1.655 0.030 1 1211 111 111 ILE HD1 H 0.655 0.030 1 1212 111 111 ILE HG12 H 1.103 0.030 2 1213 111 111 ILE HG13 H 1.376 0.030 2 1214 111 111 ILE HG2 H 0.831 0.030 1 1215 111 111 ILE C C 176.823 0.300 1 1216 111 111 ILE CA C 58.876 0.300 1 1217 111 111 ILE CB C 38.165 0.300 1 1218 111 111 ILE CD1 C 11.467 0.300 1 1219 111 111 ILE CG1 C 27.087 0.300 1 1220 111 111 ILE CG2 C 17.486 0.300 1 1221 111 111 ILE N N 125.247 0.300 1 1222 112 112 VAL H H 9.368 0.030 1 1223 112 112 VAL HA H 5.733 0.030 1 1224 112 112 VAL HB H 2.206 0.030 1 1225 112 112 VAL HG1 H 0.773 0.030 1 1226 112 112 VAL HG2 H 0.949 0.030 1 1227 112 112 VAL C C 174.460 0.300 1 1228 112 112 VAL CA C 58.480 0.300 1 1229 112 112 VAL CB C 36.177 0.300 1 1230 112 112 VAL CG1 C 18.738 0.300 2 1231 112 112 VAL CG2 C 22.026 0.300 2 1232 112 112 VAL N N 121.215 0.300 1 1233 113 113 SER H H 9.472 0.030 1 1234 113 113 SER HA H 5.789 0.030 1 1235 113 113 SER HB2 H 3.694 0.030 1 1236 113 113 SER HB3 H 3.694 0.030 1 1237 113 113 SER C C 173.380 0.300 1 1238 113 113 SER CA C 55.879 0.300 1 1239 113 113 SER CB C 65.326 0.300 1 1240 113 113 SER N N 114.493 0.300 1 1241 114 114 ARG H H 9.311 0.030 1 1242 114 114 ARG HA H 5.330 0.030 1 1243 114 114 ARG HB2 H 1.922 0.030 2 1244 114 114 ARG HB3 H 1.989 0.030 2 1245 114 114 ARG HD2 H 2.438 0.030 2 1246 114 114 ARG HD3 H 3.002 0.030 2 1247 114 114 ARG HE H 9.568 0.030 1 1248 114 114 ARG HG2 H 1.637 0.030 2 1249 114 114 ARG HG3 H 1.783 0.030 2 1250 114 114 ARG C C 173.371 0.300 1 1251 114 114 ARG CA C 52.993 0.300 1 1252 114 114 ARG CB C 34.778 0.300 1 1253 114 114 ARG CD C 43.655 0.300 1 1254 114 114 ARG CG C 25.269 0.300 1 1255 114 114 ARG N N 127.568 0.300 1 1256 114 114 ARG NE N 85.265 0.300 1 1257 115 115 PRO HA H 4.646 0.030 1 1258 115 115 PRO HB2 H 1.983 0.030 2 1259 115 115 PRO HB3 H 2.492 0.030 2 1260 115 115 PRO HD2 H 3.792 0.030 2 1261 115 115 PRO HD3 H 4.170 0.030 2 1262 115 115 PRO HG2 H 2.061 0.030 2 1263 115 115 PRO HG3 H 2.195 0.030 2 1264 115 115 PRO C C 176.529 0.300 1 1265 115 115 PRO CA C 63.519 0.300 1 1266 115 115 PRO CB C 32.261 0.300 1 1267 115 115 PRO CD C 51.227 0.300 1 1268 115 115 PRO CG C 27.945 0.300 1 1269 116 116 SER H H 8.081 0.030 1 1270 116 116 SER HA H 4.282 0.030 1 1271 116 116 SER HB2 H 3.549 0.030 2 1272 116 116 SER HB3 H 3.815 0.030 2 1273 116 116 SER C C 174.551 0.300 1 1274 116 116 SER CA C 58.086 0.300 1 1275 116 116 SER CB C 64.096 0.300 1 1276 116 116 SER N N 116.914 0.300 1 1277 117 117 GLY H H 8.184 0.030 1 1278 117 117 GLY HA2 H 4.126 0.030 1 1279 117 117 GLY HA3 H 4.126 0.030 1 1280 117 117 GLY C C 171.770 0.300 1 1281 117 117 GLY CA C 44.659 0.300 1 1282 117 117 GLY N N 110.341 0.300 1 1283 118 118 PRO HA H 4.458 0.030 1 1284 118 118 PRO HB2 H 1.960 0.030 2 1285 118 118 PRO HB3 H 2.284 0.030 2 1286 118 118 PRO HD2 H 3.612 0.030 1 1287 118 118 PRO HD3 H 3.612 0.030 1 1288 118 118 PRO HG2 H 2.004 0.030 1 1289 118 118 PRO HG3 H 2.004 0.030 1 1290 118 118 PRO C C 177.419 0.300 1 1291 118 118 PRO CA C 63.239 0.300 1 1292 118 118 PRO CB C 32.189 0.300 1 1293 118 118 PRO CD C 49.748 0.300 1 1294 118 118 PRO CG C 27.121 0.300 1 1295 119 119 SER H H 8.541 0.030 1 1296 119 119 SER HA H 4.504 0.030 1 1297 119 119 SER HB2 H 3.904 0.030 2 1298 119 119 SER HB3 H 3.967 0.030 2 1299 119 119 SER C C 174.702 0.300 1 1300 119 119 SER CA C 58.396 0.300 1 1301 119 119 SER CB C 63.764 0.300 1 1302 119 119 SER N N 116.369 0.300 1 1303 120 120 SER H H 8.337 0.030 1 1304 120 120 SER HA H 4.499 0.030 1 1305 120 120 SER HB2 H 3.871 0.030 2 1306 120 120 SER HB3 H 3.902 0.030 2 1307 120 120 SER C C 173.901 0.300 1 1308 120 120 SER CA C 58.405 0.300 1 1309 120 120 SER CB C 64.262 0.300 1 1310 120 120 SER N N 117.918 0.300 1 1311 121 121 GLY H H 8.044 0.030 1 1312 121 121 GLY HA2 H 3.737 0.030 1 1313 121 121 GLY HA3 H 3.737 0.030 1 1314 121 121 GLY C C 178.976 0.300 1 1315 121 121 GLY CA C 46.116 0.300 1 1316 121 121 GLY N N 116.824 0.300 1 stop_ save_