data_11248 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PDZ domain from mouse LIM domain kinase ; _BMRB_accession_number 11248 _BMRB_flat_file_name bmr11248.str _Entry_type original _Submission_date 2010-07-23 _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 Hayashi F. . . 2 Suetake T. . . 3 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" 644 "13C chemical shifts" 483 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the PDZ domain from mouse LIM domain kinase' _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 Hayashi F. . . 2 Suetake T. . . 3 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 'LIM domain kinase 2' _Enzyme_commission_number E.C.2.7.11.1 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 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; GSSGSSGVQDQLPYSVTLIS MPATTECRRGFSVTVESASS NYATTVQVKEVNRMHISPNN RNAIHPGDRILEINGTPVRT LRVEEVEDAIKQTSQTLQLL IEHDPVPQRLDQSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 GLN 10 ASP 11 GLN 12 LEU 13 PRO 14 TYR 15 SER 16 VAL 17 THR 18 LEU 19 ILE 20 SER 21 MET 22 PRO 23 ALA 24 THR 25 THR 26 GLU 27 CYS 28 ARG 29 ARG 30 GLY 31 PHE 32 SER 33 VAL 34 THR 35 VAL 36 GLU 37 SER 38 ALA 39 SER 40 SER 41 ASN 42 TYR 43 ALA 44 THR 45 THR 46 VAL 47 GLN 48 VAL 49 LYS 50 GLU 51 VAL 52 ASN 53 ARG 54 MET 55 HIS 56 ILE 57 SER 58 PRO 59 ASN 60 ASN 61 ARG 62 ASN 63 ALA 64 ILE 65 HIS 66 PRO 67 GLY 68 ASP 69 ARG 70 ILE 71 LEU 72 GLU 73 ILE 74 ASN 75 GLY 76 THR 77 PRO 78 VAL 79 ARG 80 THR 81 LEU 82 ARG 83 VAL 84 GLU 85 GLU 86 VAL 87 GLU 88 ASP 89 ALA 90 ILE 91 LYS 92 GLN 93 THR 94 SER 95 GLN 96 THR 97 LEU 98 GLN 99 LEU 100 LEU 101 ILE 102 GLU 103 HIS 104 ASP 105 PRO 106 VAL 107 PRO 108 GLN 109 ARG 110 LEU 111 ASP 112 GLN 113 SER 114 GLY 115 PRO 116 SER 117 SER 118 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-20 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 2YUB "Solution Structure Of The Pdz Domain From Mouse Lim Domain Kinase" 100.00 118 100.00 100.00 9.22e-79 DBJ BAA06675 "LIMK-2c [Rattus norvegicus]" 88.98 350 98.10 99.05 1.86e-65 DBJ BAA24488 "LIMK2 [Mus musculus]" 91.53 638 97.22 98.15 1.05e-63 DBJ BAA24489 "LIMK2b [Mus musculus]" 91.53 617 97.22 98.15 2.38e-64 DBJ BAA24491 "LIMK2 [Mus musculus]" 91.53 632 97.22 98.15 1.19e-63 DBJ BAA29035 "LIMK-2 [Mus musculus]" 91.53 638 97.22 98.15 1.05e-63 GB AAC39947 "LIM kinase 2 [Mus musculus]" 91.53 638 97.22 98.15 1.05e-63 GB AAH07129 "LIM motif-containing protein kinase 2 [Mus musculus]" 91.53 638 97.22 98.15 1.05e-63 GB ABK42255 "Limk2 [synthetic construct]" 91.53 638 97.22 98.15 9.96e-64 GB EDL40412 "LIM motif-containing protein kinase 2, isoform CRA_b [Mus musculus]" 91.53 560 97.22 98.15 1.68e-64 GB EDL40413 "LIM motif-containing protein kinase 2, isoform CRA_c [Mus musculus]" 91.53 638 97.22 98.15 1.05e-63 REF NP_001029202 "LIM domain kinase 2 isoform c [Mus musculus]" 50.00 451 100.00 100.00 3.03e-31 REF NP_034848 "LIM domain kinase 2 isoform a [Mus musculus]" 91.53 638 97.22 98.15 1.05e-63 REF NP_774958 "LIM domain kinase 2 isoform b [Mus musculus]" 91.53 617 97.22 98.15 2.38e-64 REF XP_005366157 "PREDICTED: LIM domain kinase 2 [Microtus ochrogaster]" 88.98 617 98.10 99.05 7.75e-63 REF XP_006514610 "PREDICTED: LIM domain kinase 2 isoform X1 [Mus musculus]" 91.53 696 97.22 98.15 1.40e-63 SP O54785 "RecName: Full=LIM domain kinase 2; Short=LIMK-2" 91.53 638 97.22 98.15 1.05e-63 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 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 P041220-03 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.47mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.47 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 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 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_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 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 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name '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 6 6 SER HA H 4.484 0.030 1 2 6 6 SER HB2 H 3.906 0.030 1 3 6 6 SER HB3 H 3.906 0.030 1 4 6 6 SER C C 174.964 0.300 1 5 6 6 SER CA C 58.643 0.300 1 6 6 6 SER CB C 63.833 0.300 1 7 7 7 GLY H H 8.413 0.030 1 8 7 7 GLY HA2 H 3.998 0.030 1 9 7 7 GLY HA3 H 3.998 0.030 1 10 7 7 GLY C C 174.128 0.300 1 11 7 7 GLY CA C 45.284 0.300 1 12 7 7 GLY N N 110.812 0.300 1 13 8 8 VAL H H 8.008 0.030 1 14 8 8 VAL HA H 4.112 0.030 1 15 8 8 VAL HB H 2.067 0.030 1 16 8 8 VAL HG1 H 0.928 0.030 1 17 8 8 VAL HG2 H 0.919 0.030 1 18 8 8 VAL C C 176.406 0.300 1 19 8 8 VAL CA C 62.411 0.300 1 20 8 8 VAL CB C 32.654 0.300 1 21 8 8 VAL CG1 C 21.104 0.300 2 22 8 8 VAL CG2 C 20.414 0.300 2 23 8 8 VAL N N 119.355 0.300 1 24 9 9 GLN H H 8.507 0.030 1 25 9 9 GLN HA H 4.339 0.030 1 26 9 9 GLN HB2 H 2.090 0.030 2 27 9 9 GLN HB3 H 1.974 0.030 2 28 9 9 GLN HE21 H 7.580 0.030 2 29 9 9 GLN HE22 H 6.862 0.030 2 30 9 9 GLN HG2 H 2.345 0.030 1 31 9 9 GLN HG3 H 2.345 0.030 1 32 9 9 GLN C C 175.654 0.300 1 33 9 9 GLN CA C 55.856 0.300 1 34 9 9 GLN CB C 29.483 0.300 1 35 9 9 GLN CG C 33.757 0.300 1 36 9 9 GLN N N 123.889 0.300 1 37 9 9 GLN NE2 N 112.704 0.300 1 38 10 10 ASP H H 8.303 0.030 1 39 10 10 ASP HA H 4.545 0.030 1 40 10 10 ASP HB2 H 2.660 0.030 2 41 10 10 ASP HB3 H 2.611 0.030 2 42 10 10 ASP C C 175.875 0.300 1 43 10 10 ASP CA C 54.547 0.300 1 44 10 10 ASP CB C 41.147 0.300 1 45 10 10 ASP N N 121.578 0.300 1 46 11 11 GLN H H 8.220 0.030 1 47 11 11 GLN HA H 4.329 0.030 1 48 11 11 GLN HB2 H 2.087 0.030 2 49 11 11 GLN HB3 H 1.936 0.030 2 50 11 11 GLN HE21 H 7.546 0.030 2 51 11 11 GLN HE22 H 6.838 0.030 2 52 11 11 GLN HG2 H 2.327 0.030 1 53 11 11 GLN HG3 H 2.327 0.030 1 54 11 11 GLN C C 175.661 0.300 1 55 11 11 GLN CA C 55.380 0.300 1 56 11 11 GLN CB C 29.586 0.300 1 57 11 11 GLN CG C 33.709 0.300 1 58 11 11 GLN N N 119.833 0.300 1 59 11 11 GLN NE2 N 112.704 0.300 1 60 12 12 LEU H H 8.313 0.030 1 61 12 12 LEU HA H 4.553 0.030 1 62 12 12 LEU HB2 H 1.538 0.030 2 63 12 12 LEU HB3 H 1.371 0.030 2 64 12 12 LEU HD1 H 0.764 0.030 1 65 12 12 LEU HD2 H 0.845 0.030 1 66 12 12 LEU HG H 1.597 0.030 1 67 12 12 LEU C C 175.306 0.300 1 68 12 12 LEU CA C 52.969 0.300 1 69 12 12 LEU CB C 41.683 0.300 1 70 12 12 LEU CD1 C 25.129 0.300 2 71 12 12 LEU CD2 C 23.092 0.300 2 72 12 12 LEU CG C 27.039 0.300 1 73 12 12 LEU N N 125.196 0.300 1 74 13 13 PRO HA H 4.494 0.030 1 75 13 13 PRO HB2 H 2.223 0.030 2 76 13 13 PRO HB3 H 1.975 0.030 2 77 13 13 PRO HD2 H 3.549 0.030 2 78 13 13 PRO HD3 H 3.768 0.030 2 79 13 13 PRO HG2 H 1.897 0.030 2 80 13 13 PRO HG3 H 2.023 0.030 2 81 13 13 PRO C C 176.061 0.300 1 82 13 13 PRO CA C 62.591 0.300 1 83 13 13 PRO CB C 32.164 0.300 1 84 13 13 PRO CD C 50.283 0.300 1 85 13 13 PRO CG C 26.998 0.300 1 86 14 14 TYR H H 8.060 0.030 1 87 14 14 TYR HA H 4.777 0.030 1 88 14 14 TYR HB2 H 2.986 0.030 1 89 14 14 TYR HB3 H 2.986 0.030 1 90 14 14 TYR HD1 H 7.088 0.030 1 91 14 14 TYR HD2 H 7.088 0.030 1 92 14 14 TYR HE1 H 6.758 0.030 1 93 14 14 TYR HE2 H 6.758 0.030 1 94 14 14 TYR C C 176.020 0.300 1 95 14 14 TYR CA C 58.013 0.300 1 96 14 14 TYR CB C 38.953 0.300 1 97 14 14 TYR CD1 C 133.004 0.300 1 98 14 14 TYR CD2 C 133.004 0.300 1 99 14 14 TYR CE1 C 118.019 0.300 1 100 14 14 TYR CE2 C 118.019 0.300 1 101 14 14 TYR N N 118.869 0.300 1 102 15 15 SER H H 8.314 0.030 1 103 15 15 SER HA H 4.549 0.030 1 104 15 15 SER HB2 H 3.840 0.030 2 105 15 15 SER HB3 H 3.809 0.030 2 106 15 15 SER C C 172.596 0.300 1 107 15 15 SER CA C 57.846 0.300 1 108 15 15 SER CB C 65.072 0.300 1 109 15 15 SER N N 118.151 0.300 1 110 16 16 VAL H H 8.128 0.030 1 111 16 16 VAL HA H 5.190 0.030 1 112 16 16 VAL HB H 1.896 0.030 1 113 16 16 VAL HG1 H 0.822 0.030 1 114 16 16 VAL HG2 H 0.906 0.030 1 115 16 16 VAL C C 176.190 0.300 1 116 16 16 VAL CA C 60.882 0.300 1 117 16 16 VAL CB C 34.058 0.300 1 118 16 16 VAL CG1 C 21.597 0.300 2 119 16 16 VAL CG2 C 20.911 0.300 2 120 16 16 VAL N N 121.319 0.300 1 121 17 17 THR H H 8.879 0.030 1 122 17 17 THR HA H 4.552 0.030 1 123 17 17 THR HB H 3.829 0.030 1 124 17 17 THR HG2 H 1.161 0.030 1 125 17 17 THR C C 171.516 0.300 1 126 17 17 THR CA C 61.289 0.300 1 127 17 17 THR CB C 71.759 0.300 1 128 17 17 THR CG2 C 21.634 0.300 1 129 17 17 THR N N 120.799 0.300 1 130 18 18 LEU H H 8.551 0.030 1 131 18 18 LEU HA H 5.164 0.030 1 132 18 18 LEU HB2 H 1.841 0.030 2 133 18 18 LEU HB3 H 1.289 0.030 2 134 18 18 LEU HD1 H 0.768 0.030 1 135 18 18 LEU HD2 H 0.806 0.030 1 136 18 18 LEU HG H 1.304 0.030 1 137 18 18 LEU C C 176.048 0.300 1 138 18 18 LEU CA C 53.857 0.300 1 139 18 18 LEU CB C 43.160 0.300 1 140 18 18 LEU CD1 C 23.599 0.300 2 141 18 18 LEU CD2 C 25.473 0.300 2 142 18 18 LEU CG C 27.292 0.300 1 143 18 18 LEU N N 128.692 0.300 1 144 19 19 ILE H H 9.274 0.030 1 145 19 19 ILE HA H 4.643 0.030 1 146 19 19 ILE HB H 1.778 0.030 1 147 19 19 ILE HD1 H 0.634 0.030 1 148 19 19 ILE HG12 H 1.131 0.030 2 149 19 19 ILE HG13 H 1.287 0.030 2 150 19 19 ILE HG2 H 0.754 0.030 1 151 19 19 ILE C C 174.257 0.300 1 152 19 19 ILE CA C 58.966 0.300 1 153 19 19 ILE CB C 40.748 0.300 1 154 19 19 ILE CD1 C 13.602 0.300 1 155 19 19 ILE CG1 C 26.670 0.300 1 156 19 19 ILE CG2 C 17.711 0.300 1 157 19 19 ILE N N 103.757 0.300 1 158 20 20 SER H H 8.806 0.030 1 159 20 20 SER HA H 5.128 0.030 1 160 20 20 SER HB2 H 3.685 0.030 2 161 20 20 SER HB3 H 3.624 0.030 2 162 20 20 SER C C 173.982 0.300 1 163 20 20 SER CA C 56.845 0.300 1 164 20 20 SER CB C 64.240 0.300 1 165 20 20 SER N N 119.273 0.300 1 166 21 21 MET H H 9.472 0.030 1 167 21 21 MET HA H 5.047 0.030 1 168 21 21 MET HB2 H 2.158 0.030 2 169 21 21 MET HB3 H 2.345 0.030 2 170 21 21 MET HE H 1.941 0.030 1 171 21 21 MET HG2 H 2.510 0.030 1 172 21 21 MET HG3 H 2.510 0.030 1 173 21 21 MET C C 173.336 0.300 1 174 21 21 MET CA C 52.364 0.300 1 175 21 21 MET CB C 33.306 0.300 1 176 21 21 MET CE C 18.193 0.300 1 177 21 21 MET CG C 33.038 0.300 1 178 21 21 MET N N 126.772 0.300 1 179 22 22 PRO HA H 4.550 0.030 1 180 22 22 PRO HB2 H 2.320 0.030 2 181 22 22 PRO HB3 H 2.092 0.030 2 182 22 22 PRO HD2 H 3.942 0.030 2 183 22 22 PRO HD3 H 3.885 0.030 2 184 22 22 PRO HG2 H 2.050 0.030 2 185 22 22 PRO HG3 H 1.974 0.030 2 186 22 22 PRO C C 176.290 0.300 1 187 22 22 PRO CA C 62.258 0.300 1 188 22 22 PRO CB C 32.800 0.300 1 189 22 22 PRO CD C 51.273 0.300 1 190 22 22 PRO CG C 26.925 0.300 1 191 23 23 ALA H H 8.251 0.030 1 192 23 23 ALA HA H 4.183 0.030 1 193 23 23 ALA HB H 1.181 0.030 1 194 23 23 ALA C C 177.363 0.300 1 195 23 23 ALA CA C 52.782 0.300 1 196 23 23 ALA CB C 19.164 0.300 1 197 23 23 ALA N N 123.523 0.300 1 198 24 24 THR H H 8.690 0.030 1 199 24 24 THR HA H 4.875 0.030 1 200 24 24 THR HB H 4.268 0.030 1 201 24 24 THR HG2 H 1.238 0.030 1 202 24 24 THR C C 173.509 0.300 1 203 24 24 THR CA C 59.083 0.300 1 204 24 24 THR CB C 70.334 0.300 1 205 24 24 THR CG2 C 20.297 0.300 1 206 24 24 THR N N 114.857 0.300 1 207 25 25 THR H H 8.179 0.030 1 208 25 25 THR HA H 4.276 0.030 1 209 25 25 THR HB H 4.391 0.030 1 210 25 25 THR HG2 H 1.221 0.030 1 211 25 25 THR C C 175.912 0.300 1 212 25 25 THR CA C 62.329 0.300 1 213 25 25 THR CB C 68.871 0.300 1 214 25 25 THR CG2 C 21.807 0.300 1 215 25 25 THR N N 114.693 0.300 1 216 26 26 GLU H H 8.267 0.030 1 217 26 26 GLU HA H 4.279 0.030 1 218 26 26 GLU HB2 H 1.963 0.030 2 219 26 26 GLU HB3 H 2.175 0.030 2 220 26 26 GLU HG2 H 2.341 0.030 2 221 26 26 GLU HG3 H 2.295 0.030 2 222 26 26 GLU C C 176.371 0.300 1 223 26 26 GLU CA C 56.611 0.300 1 224 26 26 GLU CB C 30.234 0.300 1 225 26 26 GLU CG C 36.296 0.300 1 226 26 26 GLU N N 122.151 0.300 1 227 27 27 CYS H H 8.388 0.030 1 228 27 27 CYS HA H 4.373 0.030 1 229 27 27 CYS HB2 H 3.001 0.030 1 230 27 27 CYS HB3 H 3.001 0.030 1 231 27 27 CYS C C 174.490 0.300 1 232 27 27 CYS CA C 59.535 0.300 1 233 27 27 CYS CB C 27.517 0.300 1 234 27 27 CYS N N 116.964 0.300 1 235 28 28 ARG H H 7.745 0.030 1 236 28 28 ARG HA H 4.458 0.030 1 237 28 28 ARG HB2 H 1.822 0.030 2 238 28 28 ARG HB3 H 1.641 0.030 2 239 28 28 ARG HD2 H 2.987 0.030 2 240 28 28 ARG HD3 H 3.041 0.030 2 241 28 28 ARG HG2 H 1.486 0.030 1 242 28 28 ARG HG3 H 1.486 0.030 1 243 28 28 ARG C C 175.570 0.300 1 244 28 28 ARG CA C 54.871 0.300 1 245 28 28 ARG CB C 31.642 0.300 1 246 28 28 ARG CD C 43.160 0.300 1 247 28 28 ARG CG C 26.677 0.300 1 248 28 28 ARG N N 118.631 0.300 1 249 29 29 ARG H H 8.690 0.030 1 250 29 29 ARG HA H 4.286 0.030 1 251 29 29 ARG HB2 H 1.734 0.030 2 252 29 29 ARG HB3 H 1.667 0.030 2 253 29 29 ARG HD2 H 3.274 0.030 2 254 29 29 ARG HD3 H 3.142 0.030 2 255 29 29 ARG HG2 H 1.547 0.030 2 256 29 29 ARG HG3 H 1.623 0.030 2 257 29 29 ARG C C 177.085 0.300 1 258 29 29 ARG CA C 55.967 0.300 1 259 29 29 ARG CB C 30.996 0.300 1 260 29 29 ARG CD C 43.289 0.300 1 261 29 29 ARG CG C 27.403 0.300 1 262 30 30 GLY H H 8.529 0.030 1 263 30 30 GLY HA2 H 3.998 0.030 1 264 30 30 GLY HA3 H 3.998 0.030 1 265 30 30 GLY C C 171.842 0.300 1 266 30 30 GLY CA C 46.335 0.300 1 267 30 30 GLY N N 105.753 0.300 1 268 31 31 PHE H H 7.102 0.030 1 269 31 31 PHE HA H 5.332 0.030 1 270 31 31 PHE HB2 H 3.254 0.030 2 271 31 31 PHE HB3 H 3.030 0.030 2 272 31 31 PHE HD1 H 6.891 0.030 1 273 31 31 PHE HD2 H 6.891 0.030 1 274 31 31 PHE HE1 H 6.975 0.030 1 275 31 31 PHE HE2 H 6.975 0.030 1 276 31 31 PHE HZ H 6.921 0.030 1 277 31 31 PHE C C 172.013 0.300 1 278 31 31 PHE CA C 55.573 0.300 1 279 31 31 PHE CB C 41.151 0.300 1 280 31 31 PHE CD1 C 131.627 0.300 1 281 31 31 PHE CD2 C 131.627 0.300 1 282 31 31 PHE CE1 C 130.117 0.300 1 283 31 31 PHE CE2 C 130.117 0.300 1 284 31 31 PHE CZ C 128.657 0.300 1 285 31 31 PHE N N 113.873 0.300 1 286 32 32 SER H H 8.632 0.030 1 287 32 32 SER HA H 4.731 0.030 1 288 32 32 SER HB2 H 3.976 0.030 2 289 32 32 SER HB3 H 3.821 0.030 2 290 32 32 SER C C 174.726 0.300 1 291 32 32 SER CA C 55.558 0.300 1 292 32 32 SER CB C 66.480 0.300 1 293 32 32 SER N N 114.075 0.300 1 294 33 33 VAL H H 8.825 0.030 1 295 33 33 VAL HA H 5.523 0.030 1 296 33 33 VAL HB H 2.088 0.030 1 297 33 33 VAL HG1 H 0.829 0.030 1 298 33 33 VAL HG2 H 0.680 0.030 1 299 33 33 VAL C C 175.168 0.300 1 300 33 33 VAL CA C 58.948 0.300 1 301 33 33 VAL CB C 35.797 0.300 1 302 33 33 VAL CG1 C 22.649 0.300 2 303 33 33 VAL CG2 C 18.097 0.300 2 304 33 33 VAL N N 112.543 0.300 1 305 34 34 THR H H 9.259 0.030 1 306 34 34 THR HA H 4.577 0.030 1 307 34 34 THR HB H 3.974 0.030 1 308 34 34 THR HG2 H 1.191 0.030 1 309 34 34 THR C C 173.430 0.300 1 310 34 34 THR CA C 61.220 0.300 1 311 34 34 THR CB C 70.703 0.300 1 312 34 34 THR CG2 C 22.064 0.300 1 313 34 34 THR N N 116.808 0.300 1 314 35 35 VAL H H 8.966 0.030 1 315 35 35 VAL HA H 4.769 0.030 1 316 35 35 VAL HB H 2.122 0.030 1 317 35 35 VAL HG1 H 0.986 0.030 1 318 35 35 VAL HG2 H 0.955 0.030 1 319 35 35 VAL C C 175.447 0.300 1 320 35 35 VAL CA C 61.230 0.300 1 321 35 35 VAL CB C 33.225 0.300 1 322 35 35 VAL CG1 C 22.954 0.300 2 323 35 35 VAL CG2 C 21.968 0.300 2 324 35 35 VAL N N 126.719 0.300 1 325 36 36 GLU H H 8.758 0.030 1 326 36 36 GLU HA H 4.682 0.030 1 327 36 36 GLU HB2 H 2.072 0.030 2 328 36 36 GLU HB3 H 1.927 0.030 2 329 36 36 GLU HG2 H 2.237 0.030 2 330 36 36 GLU HG3 H 2.178 0.030 2 331 36 36 GLU C C 175.279 0.300 1 332 36 36 GLU CA C 55.087 0.300 1 333 36 36 GLU CB C 31.809 0.300 1 334 36 36 GLU CG C 36.203 0.300 1 335 36 36 GLU N N 128.300 0.300 1 336 37 37 SER H H 8.758 0.030 1 337 37 37 SER HA H 4.987 0.030 1 338 37 37 SER HB2 H 3.730 0.030 2 339 37 37 SER HB3 H 3.596 0.030 2 340 37 37 SER C C 174.214 0.300 1 341 37 37 SER CA C 57.131 0.300 1 342 37 37 SER CB C 65.658 0.300 1 343 37 37 SER N N 117.126 0.300 1 344 38 38 ALA H H 8.821 0.030 1 345 38 38 ALA HA H 4.588 0.030 1 346 38 38 ALA HB H 1.520 0.030 1 347 38 38 ALA C C 178.244 0.300 1 348 38 38 ALA CA C 52.257 0.300 1 349 38 38 ALA CB C 19.561 0.300 1 350 38 38 ALA N N 127.198 0.300 1 351 39 39 SER H H 8.418 0.030 1 352 39 39 SER HA H 4.375 0.030 1 353 39 39 SER HB2 H 3.992 0.030 1 354 39 39 SER HB3 H 3.992 0.030 1 355 39 39 SER C C 174.276 0.300 1 356 39 39 SER CA C 59.415 0.300 1 357 39 39 SER CB C 63.081 0.300 1 358 40 40 SER H H 8.109 0.030 1 359 40 40 SER HA H 4.363 0.030 1 360 40 40 SER HB2 H 4.127 0.030 2 361 40 40 SER HB3 H 3.999 0.030 2 362 40 40 SER C C 173.740 0.300 1 363 40 40 SER CA C 58.271 0.300 1 364 40 40 SER CB C 63.740 0.300 1 365 40 40 SER N N 115.183 0.300 1 366 41 41 ASN H H 8.469 0.030 1 367 41 41 ASN HA H 4.540 0.030 1 368 41 41 ASN HB2 H 2.904 0.030 2 369 41 41 ASN HB3 H 2.762 0.030 2 370 41 41 ASN HD21 H 7.445 0.030 2 371 41 41 ASN HD22 H 7.095 0.030 2 372 41 41 ASN C C 174.510 0.300 1 373 41 41 ASN CA C 54.430 0.300 1 374 41 41 ASN CB C 38.235 0.300 1 375 41 41 ASN N N 115.396 0.300 1 376 41 41 ASN ND2 N 112.615 0.300 1 377 42 42 TYR H H 7.862 0.030 1 378 42 42 TYR HA H 4.728 0.030 1 379 42 42 TYR HB2 H 3.053 0.030 2 380 42 42 TYR HB3 H 2.685 0.030 2 381 42 42 TYR HD1 H 6.935 0.030 1 382 42 42 TYR HD2 H 6.935 0.030 1 383 42 42 TYR HE1 H 6.793 0.030 1 384 42 42 TYR HE2 H 6.793 0.030 1 385 42 42 TYR C C 175.863 0.300 1 386 42 42 TYR CA C 58.593 0.300 1 387 42 42 TYR CB C 39.800 0.300 1 388 42 42 TYR CD1 C 132.758 0.300 1 389 42 42 TYR CD2 C 132.758 0.300 1 390 42 42 TYR CE1 C 117.854 0.300 1 391 42 42 TYR CE2 C 117.854 0.300 1 392 42 42 TYR N N 118.016 0.300 1 393 43 43 ALA H H 8.766 0.030 1 394 43 43 ALA HA H 4.174 0.030 1 395 43 43 ALA HB H 1.177 0.030 1 396 43 43 ALA C C 176.132 0.300 1 397 43 43 ALA CA C 52.220 0.300 1 398 43 43 ALA CB C 18.571 0.300 1 399 43 43 ALA N N 124.510 0.300 1 400 44 44 THR H H 8.772 0.030 1 401 44 44 THR HA H 4.329 0.030 1 402 44 44 THR HB H 4.152 0.030 1 403 44 44 THR HG2 H 1.234 0.030 1 404 44 44 THR C C 175.490 0.300 1 405 44 44 THR CA C 63.616 0.300 1 406 44 44 THR CB C 68.940 0.300 1 407 44 44 THR CG2 C 22.933 0.300 1 408 44 44 THR N N 112.698 0.300 1 409 45 45 THR H H 7.639 0.030 1 410 45 45 THR HA H 4.524 0.030 1 411 45 45 THR HB H 3.965 0.030 1 412 45 45 THR HG2 H 1.162 0.030 1 413 45 45 THR C C 172.592 0.300 1 414 45 45 THR CA C 61.504 0.300 1 415 45 45 THR CB C 71.959 0.300 1 416 45 45 THR CG2 C 21.948 0.300 1 417 45 45 THR N N 114.271 0.300 1 418 46 46 VAL H H 9.302 0.030 1 419 46 46 VAL HA H 4.792 0.030 1 420 46 46 VAL HB H 2.397 0.030 1 421 46 46 VAL HG1 H 0.844 0.030 1 422 46 46 VAL HG2 H 1.002 0.030 1 423 46 46 VAL C C 173.846 0.300 1 424 46 46 VAL CA C 61.519 0.300 1 425 46 46 VAL CB C 33.625 0.300 1 426 46 46 VAL CG1 C 21.954 0.300 2 427 46 46 VAL CG2 C 22.430 0.300 2 428 46 46 VAL N N 126.210 0.300 1 429 47 47 GLN H H 8.796 0.030 1 430 47 47 GLN HA H 5.442 0.030 1 431 47 47 GLN HB2 H 1.965 0.030 2 432 47 47 GLN HB3 H 1.814 0.030 2 433 47 47 GLN HE21 H 7.615 0.030 2 434 47 47 GLN HE22 H 6.882 0.030 2 435 47 47 GLN HG2 H 2.200 0.030 1 436 47 47 GLN HG3 H 2.200 0.030 1 437 47 47 GLN C C 175.360 0.300 1 438 47 47 GLN CA C 53.490 0.300 1 439 47 47 GLN CB C 33.333 0.300 1 440 47 47 GLN CG C 34.482 0.300 1 441 47 47 GLN N N 125.854 0.300 1 442 47 47 GLN NE2 N 111.790 0.300 1 443 48 48 VAL H H 9.287 0.030 1 444 48 48 VAL HA H 4.031 0.030 1 445 48 48 VAL HB H 2.303 0.030 1 446 48 48 VAL HG1 H 0.720 0.030 1 447 48 48 VAL HG2 H 0.778 0.030 1 448 48 48 VAL C C 175.714 0.300 1 449 48 48 VAL CA C 64.138 0.300 1 450 48 48 VAL CB C 31.413 0.300 1 451 48 48 VAL CG1 C 22.466 0.300 2 452 48 48 VAL CG2 C 21.630 0.300 2 453 48 48 VAL N N 124.355 0.300 1 454 49 49 LYS H H 9.458 0.030 1 455 49 49 LYS HA H 4.488 0.030 1 456 49 49 LYS HB2 H 1.808 0.030 2 457 49 49 LYS HB3 H 1.714 0.030 2 458 49 49 LYS HD2 H 1.572 0.030 2 459 49 49 LYS HD3 H 1.636 0.030 2 460 49 49 LYS HE2 H 2.919 0.030 1 461 49 49 LYS HE3 H 2.919 0.030 1 462 49 49 LYS HG2 H 1.247 0.030 2 463 49 49 LYS HG3 H 1.377 0.030 2 464 49 49 LYS C C 174.772 0.300 1 465 49 49 LYS CA C 57.332 0.300 1 466 49 49 LYS CB C 33.510 0.300 1 467 49 49 LYS CD C 28.926 0.300 1 468 49 49 LYS CE C 42.015 0.300 1 469 49 49 LYS CG C 24.749 0.300 1 470 49 49 LYS N N 133.759 0.300 1 471 50 50 GLU H H 7.390 0.030 1 472 50 50 GLU HA H 4.608 0.030 1 473 50 50 GLU HB2 H 1.969 0.030 2 474 50 50 GLU HB3 H 1.913 0.030 2 475 50 50 GLU HG2 H 2.148 0.030 2 476 50 50 GLU HG3 H 2.126 0.030 2 477 50 50 GLU C C 174.065 0.300 1 478 50 50 GLU CA C 54.794 0.300 1 479 50 50 GLU CB C 32.968 0.300 1 480 50 50 GLU CG C 36.141 0.300 1 481 50 50 GLU N N 116.057 0.300 1 482 51 51 VAL H H 8.594 0.030 1 483 51 51 VAL HA H 4.558 0.030 1 484 51 51 VAL HB H 1.872 0.030 1 485 51 51 VAL HG1 H 0.777 0.030 1 486 51 51 VAL HG2 H 0.677 0.030 1 487 51 51 VAL C C 174.260 0.300 1 488 51 51 VAL CA C 61.185 0.300 1 489 51 51 VAL CB C 35.514 0.300 1 490 51 51 VAL CG1 C 21.156 0.300 2 491 51 51 VAL CG2 C 21.495 0.300 2 492 51 51 VAL N N 118.405 0.300 1 493 52 52 ASN H H 8.918 0.030 1 494 52 52 ASN HA H 4.916 0.030 1 495 52 52 ASN HB2 H 2.877 0.030 2 496 52 52 ASN HB3 H 2.633 0.030 2 497 52 52 ASN HD21 H 7.432 0.030 2 498 52 52 ASN HD22 H 6.766 0.030 2 499 52 52 ASN C C 175.707 0.300 1 500 52 52 ASN CA C 51.686 0.300 1 501 52 52 ASN CB C 38.264 0.300 1 502 52 52 ASN N N 125.240 0.300 1 503 52 52 ASN ND2 N 111.633 0.300 1 504 53 53 ARG H H 8.682 0.030 1 505 53 53 ARG HA H 3.811 0.030 1 506 53 53 ARG HB2 H 1.757 0.030 2 507 53 53 ARG HB3 H 1.850 0.030 2 508 53 53 ARG HD2 H 3.247 0.030 1 509 53 53 ARG HD3 H 3.247 0.030 1 510 53 53 ARG HG2 H 1.754 0.030 2 511 53 53 ARG HG3 H 1.729 0.030 2 512 53 53 ARG C C 177.276 0.300 1 513 53 53 ARG CA C 59.725 0.300 1 514 53 53 ARG CB C 30.054 0.300 1 515 53 53 ARG CD C 43.134 0.300 1 516 53 53 ARG CG C 28.327 0.300 1 517 53 53 ARG N N 121.539 0.300 1 518 54 54 MET H H 8.136 0.030 1 519 54 54 MET HA H 4.349 0.030 1 520 54 54 MET HB2 H 1.935 0.030 1 521 54 54 MET HB3 H 1.935 0.030 1 522 54 54 MET HE H 2.054 0.030 1 523 54 54 MET HG2 H 2.537 0.030 2 524 54 54 MET HG3 H 2.409 0.030 2 525 54 54 MET C C 177.245 0.300 1 526 54 54 MET CA C 56.375 0.300 1 527 54 54 MET CB C 30.967 0.300 1 528 54 54 MET CE C 16.698 0.300 1 529 54 54 MET CG C 31.973 0.300 1 530 54 54 MET N N 114.126 0.300 1 531 55 55 HIS H H 7.785 0.030 1 532 55 55 HIS HA H 4.739 0.030 1 533 55 55 HIS HB2 H 2.899 0.030 2 534 55 55 HIS HB3 H 3.341 0.030 2 535 55 55 HIS HD2 H 6.827 0.030 1 536 55 55 HIS C C 174.475 0.300 1 537 55 55 HIS CA C 55.453 0.300 1 538 55 55 HIS CB C 31.595 0.300 1 539 55 55 HIS CD2 C 118.102 0.300 1 540 55 55 HIS N N 117.566 0.300 1 541 56 56 ILE H H 7.493 0.030 1 542 56 56 ILE HA H 4.344 0.030 1 543 56 56 ILE HB H 1.847 0.030 1 544 56 56 ILE HD1 H 0.803 0.030 1 545 56 56 ILE HG12 H 1.587 0.030 2 546 56 56 ILE HG13 H 1.342 0.030 2 547 56 56 ILE HG2 H 1.039 0.030 1 548 56 56 ILE C C 175.095 0.300 1 549 56 56 ILE CA C 59.806 0.300 1 550 56 56 ILE CB C 38.911 0.300 1 551 56 56 ILE CD1 C 12.534 0.300 1 552 56 56 ILE CG1 C 27.604 0.300 1 553 56 56 ILE CG2 C 17.587 0.300 1 554 56 56 ILE N N 121.046 0.300 1 555 57 57 SER H H 8.693 0.030 1 556 57 57 SER HA H 4.635 0.030 1 557 57 57 SER HB2 H 4.145 0.030 2 558 57 57 SER HB3 H 4.069 0.030 2 559 57 57 SER C C 173.987 0.300 1 560 57 57 SER CA C 57.722 0.300 1 561 57 57 SER CB C 62.579 0.300 1 562 57 57 SER N N 124.103 0.300 1 563 58 58 PRO HA H 4.041 0.030 1 564 58 58 PRO HB2 H 2.013 0.030 2 565 58 58 PRO HB3 H 2.370 0.030 2 566 58 58 PRO HD2 H 3.929 0.030 2 567 58 58 PRO HD3 H 3.869 0.030 2 568 58 58 PRO HG2 H 2.015 0.030 2 569 58 58 PRO HG3 H 2.212 0.030 2 570 58 58 PRO CA C 66.063 0.300 1 571 58 58 PRO CB C 32.112 0.300 1 572 58 58 PRO CD C 50.699 0.300 1 573 58 58 PRO CG C 27.611 0.300 1 574 59 59 ASN HA H 4.490 0.030 1 575 59 59 ASN HB2 H 2.827 0.030 2 576 59 59 ASN HB3 H 2.802 0.030 2 577 59 59 ASN HD21 H 7.627 0.030 2 578 59 59 ASN HD22 H 6.994 0.030 2 579 59 59 ASN C C 175.785 0.300 1 580 59 59 ASN CA C 55.277 0.300 1 581 59 59 ASN CB C 37.324 0.300 1 582 59 59 ASN ND2 N 113.686 0.300 1 583 60 60 ASN H H 7.831 0.030 1 584 60 60 ASN HA H 5.000 0.030 1 585 60 60 ASN HB2 H 2.723 0.030 2 586 60 60 ASN HB3 H 2.633 0.030 2 587 60 60 ASN HD21 H 7.540 0.030 2 588 60 60 ASN HD22 H 6.862 0.030 2 589 60 60 ASN C C 176.310 0.300 1 590 60 60 ASN CA C 52.651 0.300 1 591 60 60 ASN CB C 40.395 0.300 1 592 60 60 ASN N N 116.151 0.300 1 593 60 60 ASN ND2 N 111.461 0.300 1 594 61 61 ARG H H 7.560 0.030 1 595 61 61 ARG HA H 3.749 0.030 1 596 61 61 ARG HB2 H 1.759 0.030 2 597 61 61 ARG HB3 H 1.908 0.030 2 598 61 61 ARG HD2 H 3.207 0.030 2 599 61 61 ARG HD3 H 3.096 0.030 2 600 61 61 ARG HG2 H 1.699 0.030 2 601 61 61 ARG HG3 H 1.757 0.030 2 602 61 61 ARG C C 175.380 0.300 1 603 61 61 ARG CA C 59.934 0.300 1 604 61 61 ARG CB C 30.430 0.300 1 605 61 61 ARG CD C 43.498 0.300 1 606 61 61 ARG CG C 27.436 0.300 1 607 61 61 ARG N N 120.980 0.300 1 608 62 62 ASN H H 8.426 0.030 1 609 62 62 ASN HA H 4.906 0.030 1 610 62 62 ASN HB2 H 2.986 0.030 2 611 62 62 ASN HB3 H 2.583 0.030 2 612 62 62 ASN HD21 H 7.638 0.030 2 613 62 62 ASN HD22 H 6.920 0.030 2 614 62 62 ASN C C 174.632 0.300 1 615 62 62 ASN CA C 52.347 0.300 1 616 62 62 ASN CB C 38.963 0.300 1 617 62 62 ASN N N 114.253 0.300 1 618 62 62 ASN ND2 N 113.357 0.300 1 619 63 63 ALA H H 7.552 0.030 1 620 63 63 ALA HA H 4.370 0.030 1 621 63 63 ALA HB H 1.348 0.030 1 622 63 63 ALA C C 174.927 0.300 1 623 63 63 ALA CA C 52.052 0.300 1 624 63 63 ALA CB C 20.795 0.300 1 625 63 63 ALA N N 120.659 0.300 1 626 64 64 ILE H H 6.518 0.030 1 627 64 64 ILE HA H 4.250 0.030 1 628 64 64 ILE HB H 1.260 0.030 1 629 64 64 ILE HD1 H 0.125 0.030 1 630 64 64 ILE HG12 H 0.579 0.030 2 631 64 64 ILE HG13 H 1.285 0.030 2 632 64 64 ILE HG2 H 0.504 0.030 1 633 64 64 ILE C C 172.087 0.300 1 634 64 64 ILE CA C 59.394 0.300 1 635 64 64 ILE CB C 40.955 0.300 1 636 64 64 ILE CD1 C 13.211 0.300 1 637 64 64 ILE CG1 C 28.086 0.300 1 638 64 64 ILE CG2 C 15.170 0.300 1 639 64 64 ILE N N 114.227 0.300 1 640 65 65 HIS H H 8.400 0.030 1 641 65 65 HIS HA H 4.926 0.030 1 642 65 65 HIS HB2 H 3.098 0.030 2 643 65 65 HIS HB3 H 2.842 0.030 2 644 65 65 HIS HD2 H 6.852 0.030 1 645 65 65 HIS C C 172.439 0.300 1 646 65 65 HIS CA C 53.447 0.300 1 647 65 65 HIS CB C 31.791 0.300 1 648 65 65 HIS CD2 C 119.876 0.300 1 649 65 65 HIS N N 124.258 0.300 1 650 66 66 PRO HA H 3.884 0.030 1 651 66 66 PRO HB2 H 2.341 0.030 2 652 66 66 PRO HB3 H 1.979 0.030 2 653 66 66 PRO HD2 H 3.780 0.030 2 654 66 66 PRO HD3 H 3.703 0.030 2 655 66 66 PRO HG2 H 1.877 0.030 2 656 66 66 PRO HG3 H 2.369 0.030 2 657 66 66 PRO C C 176.956 0.300 1 658 66 66 PRO CA C 63.868 0.300 1 659 66 66 PRO CB C 31.430 0.300 1 660 66 66 PRO CD C 50.897 0.300 1 661 66 66 PRO CG C 28.885 0.300 1 662 67 67 GLY H H 9.104 0.030 1 663 67 67 GLY HA2 H 4.560 0.030 2 664 67 67 GLY HA3 H 3.632 0.030 2 665 67 67 GLY C C 174.490 0.300 1 666 67 67 GLY CA C 44.855 0.300 1 667 67 67 GLY N N 114.041 0.300 1 668 68 68 ASP H H 8.038 0.030 1 669 68 68 ASP HA H 4.820 0.030 1 670 68 68 ASP HB2 H 2.659 0.030 2 671 68 68 ASP HB3 H 2.707 0.030 2 672 68 68 ASP C C 175.551 0.300 1 673 68 68 ASP CA C 55.635 0.300 1 674 68 68 ASP CB C 41.084 0.300 1 675 68 68 ASP N N 122.014 0.300 1 676 69 69 ARG H H 8.618 0.030 1 677 69 69 ARG HA H 5.116 0.030 1 678 69 69 ARG HB2 H 1.921 0.030 1 679 69 69 ARG HB3 H 1.921 0.030 1 680 69 69 ARG HD2 H 3.369 0.030 2 681 69 69 ARG HD3 H 3.254 0.030 2 682 69 69 ARG HE H 7.392 0.030 1 683 69 69 ARG HG2 H 1.590 0.030 2 684 69 69 ARG HG3 H 1.868 0.030 2 685 69 69 ARG C C 175.721 0.300 1 686 69 69 ARG CA C 55.442 0.300 1 687 69 69 ARG CB C 32.029 0.300 1 688 69 69 ARG CD C 43.102 0.300 1 689 69 69 ARG CG C 28.800 0.300 1 690 69 69 ARG N N 119.743 0.300 1 691 69 69 ARG NE N 83.609 0.300 1 692 70 70 ILE H H 8.738 0.030 1 693 70 70 ILE HA H 4.337 0.030 1 694 70 70 ILE HB H 1.611 0.030 1 695 70 70 ILE HD1 H 0.715 0.030 1 696 70 70 ILE HG12 H 1.475 0.030 2 697 70 70 ILE HG13 H 0.836 0.030 2 698 70 70 ILE HG2 H 0.746 0.030 1 699 70 70 ILE C C 175.119 0.300 1 700 70 70 ILE CA C 60.671 0.300 1 701 70 70 ILE CB C 38.296 0.300 1 702 70 70 ILE CD1 C 14.082 0.300 1 703 70 70 ILE CG1 C 27.941 0.300 1 704 70 70 ILE CG2 C 19.038 0.300 1 705 70 70 ILE N N 122.534 0.300 1 706 71 71 LEU H H 9.308 0.030 1 707 71 71 LEU HA H 4.512 0.030 1 708 71 71 LEU HB2 H 1.627 0.030 2 709 71 71 LEU HB3 H 1.710 0.030 2 710 71 71 LEU HD1 H 0.890 0.030 1 711 71 71 LEU HD2 H 0.825 0.030 1 712 71 71 LEU HG H 1.646 0.030 1 713 71 71 LEU C C 179.672 0.300 1 714 71 71 LEU CA C 56.056 0.300 1 715 71 71 LEU CB C 43.603 0.300 1 716 71 71 LEU CD1 C 25.389 0.300 2 717 71 71 LEU CD2 C 21.701 0.300 2 718 71 71 LEU CG C 27.307 0.300 1 719 71 71 LEU N N 126.320 0.300 1 720 72 72 GLU H H 7.453 0.030 1 721 72 72 GLU HA H 5.011 0.030 1 722 72 72 GLU HB2 H 1.466 0.030 2 723 72 72 GLU HB3 H 1.811 0.030 2 724 72 72 GLU HG2 H 1.906 0.030 2 725 72 72 GLU HG3 H 2.076 0.030 2 726 72 72 GLU C C 174.845 0.300 1 727 72 72 GLU CA C 54.996 0.300 1 728 72 72 GLU CB C 34.692 0.300 1 729 72 72 GLU CG C 35.780 0.300 1 730 72 72 GLU N N 116.327 0.300 1 731 73 73 ILE H H 8.317 0.030 1 732 73 73 ILE HA H 4.513 0.030 1 733 73 73 ILE HB H 1.393 0.030 1 734 73 73 ILE HD1 H 0.819 0.030 1 735 73 73 ILE HG12 H 1.370 0.030 2 736 73 73 ILE HG13 H 0.806 0.030 2 737 73 73 ILE HG2 H 0.766 0.030 1 738 73 73 ILE C C 175.352 0.300 1 739 73 73 ILE CA C 60.114 0.300 1 740 73 73 ILE CB C 40.748 0.300 1 741 73 73 ILE CD1 C 14.931 0.300 1 742 73 73 ILE CG1 C 27.827 0.300 1 743 73 73 ILE CG2 C 16.994 0.300 1 744 73 73 ILE N N 120.800 0.300 1 745 74 74 ASN H H 9.997 0.030 1 746 74 74 ASN HA H 4.467 0.030 1 747 74 74 ASN HB2 H 3.046 0.030 2 748 74 74 ASN HB3 H 2.987 0.030 2 749 74 74 ASN HD21 H 7.824 0.030 2 750 74 74 ASN HD22 H 7.316 0.030 2 751 74 74 ASN C C 175.757 0.300 1 752 74 74 ASN CA C 54.428 0.300 1 753 74 74 ASN CB C 36.845 0.300 1 754 74 74 ASN N N 128.211 0.300 1 755 74 74 ASN ND2 N 113.760 0.300 1 756 75 75 GLY H H 9.098 0.030 1 757 75 75 GLY HA2 H 4.106 0.030 2 758 75 75 GLY HA3 H 3.693 0.030 2 759 75 75 GLY C C 173.903 0.300 1 760 75 75 GLY CA C 45.223 0.300 1 761 75 75 GLY N N 103.582 0.300 1 762 76 76 THR H H 7.940 0.030 1 763 76 76 THR HA H 4.784 0.030 1 764 76 76 THR HB H 4.110 0.030 1 765 76 76 THR HG2 H 1.172 0.030 1 766 76 76 THR C C 172.421 0.300 1 767 76 76 THR CA C 59.509 0.300 1 768 76 76 THR CB C 70.673 0.300 1 769 76 76 THR CG2 C 21.773 0.300 1 770 76 76 THR N N 118.193 0.300 1 771 77 77 PRO HA H 4.836 0.030 1 772 77 77 PRO HB2 H 2.622 0.030 2 773 77 77 PRO HB3 H 1.966 0.030 2 774 77 77 PRO HD2 H 4.102 0.030 2 775 77 77 PRO HD3 H 3.719 0.030 2 776 77 77 PRO HG2 H 2.210 0.030 2 777 77 77 PRO HG3 H 2.019 0.030 2 778 77 77 PRO C C 179.152 0.300 1 779 77 77 PRO CA C 62.916 0.300 1 780 77 77 PRO CB C 32.676 0.300 1 781 77 77 PRO CD C 52.065 0.300 1 782 77 77 PRO CG C 27.919 0.300 1 783 78 78 VAL H H 8.026 0.030 1 784 78 78 VAL HA H 3.814 0.030 1 785 78 78 VAL HB H 2.135 0.030 1 786 78 78 VAL HG1 H 0.826 0.030 1 787 78 78 VAL HG2 H 1.057 0.030 1 788 78 78 VAL C C 175.896 0.300 1 789 78 78 VAL CA C 65.622 0.300 1 790 78 78 VAL CB C 31.142 0.300 1 791 78 78 VAL CG1 C 22.374 0.300 2 792 78 78 VAL CG2 C 18.724 0.300 2 793 78 78 VAL N N 121.142 0.300 1 794 79 79 ARG H H 7.883 0.030 1 795 79 79 ARG HA H 4.845 0.030 1 796 79 79 ARG HB2 H 1.930 0.030 2 797 79 79 ARG HB3 H 1.883 0.030 2 798 79 79 ARG HD2 H 3.250 0.030 1 799 79 79 ARG HD3 H 3.250 0.030 1 800 79 79 ARG HG2 H 1.593 0.030 2 801 79 79 ARG HG3 H 1.758 0.030 2 802 79 79 ARG C C 176.904 0.300 1 803 79 79 ARG CA C 56.995 0.300 1 804 79 79 ARG CB C 29.366 0.300 1 805 79 79 ARG CD C 43.350 0.300 1 806 79 79 ARG CG C 27.879 0.300 1 807 79 79 ARG N N 114.432 0.300 1 808 80 80 THR H H 7.665 0.030 1 809 80 80 THR HA H 4.324 0.030 1 810 80 80 THR HB H 4.408 0.030 1 811 80 80 THR HG2 H 1.163 0.030 1 812 80 80 THR C C 173.723 0.300 1 813 80 80 THR CA C 61.265 0.300 1 814 80 80 THR CB C 69.590 0.300 1 815 80 80 THR CG2 C 21.906 0.300 1 816 80 80 THR N N 108.029 0.300 1 817 81 81 LEU H H 8.044 0.030 1 818 81 81 LEU HA H 4.714 0.030 1 819 81 81 LEU HB2 H 2.032 0.030 2 820 81 81 LEU HB3 H 1.410 0.030 2 821 81 81 LEU HD1 H 0.763 0.030 1 822 81 81 LEU HD2 H 0.856 0.030 1 823 81 81 LEU HG H 1.666 0.030 1 824 81 81 LEU C C 176.028 0.300 1 825 81 81 LEU CA C 53.482 0.300 1 826 81 81 LEU CB C 44.235 0.300 1 827 81 81 LEU CD1 C 26.543 0.300 2 828 81 81 LEU CD2 C 23.142 0.300 2 829 81 81 LEU CG C 26.204 0.300 1 830 81 81 LEU N N 123.698 0.300 1 831 82 82 ARG H H 9.325 0.030 1 832 82 82 ARG HA H 4.538 0.030 1 833 82 82 ARG HB2 H 2.087 0.030 2 834 82 82 ARG HB3 H 1.538 0.030 2 835 82 82 ARG HD2 H 3.040 0.030 1 836 82 82 ARG HD3 H 3.040 0.030 1 837 82 82 ARG HG2 H 1.609 0.030 2 838 82 82 ARG HG3 H 1.116 0.030 2 839 82 82 ARG C C 179.125 0.300 1 840 82 82 ARG CA C 55.498 0.300 1 841 82 82 ARG CB C 31.035 0.300 1 842 82 82 ARG CD C 42.939 0.300 1 843 82 82 ARG CG C 28.472 0.300 1 844 82 82 ARG N N 120.304 0.300 1 845 83 83 VAL H H 8.421 0.030 1 846 83 83 VAL HA H 3.354 0.030 1 847 83 83 VAL HB H 2.017 0.030 1 848 83 83 VAL HG1 H 0.882 0.030 1 849 83 83 VAL HG2 H 0.900 0.030 1 850 83 83 VAL C C 178.062 0.300 1 851 83 83 VAL CA C 68.105 0.300 1 852 83 83 VAL CB C 31.580 0.300 1 853 83 83 VAL CG1 C 20.895 0.300 2 854 83 83 VAL CG2 C 21.915 0.300 2 855 83 83 VAL N N 122.101 0.300 1 856 84 84 GLU H H 9.430 0.030 1 857 84 84 GLU HA H 4.162 0.030 1 858 84 84 GLU HB2 H 1.997 0.030 2 859 84 84 GLU HB3 H 2.039 0.030 2 860 84 84 GLU HG2 H 2.332 0.030 1 861 84 84 GLU HG3 H 2.332 0.030 1 862 84 84 GLU C C 178.755 0.300 1 863 84 84 GLU CA C 59.507 0.300 1 864 84 84 GLU CB C 28.519 0.300 1 865 84 84 GLU CG C 36.214 0.300 1 866 84 84 GLU N N 116.252 0.300 1 867 85 85 GLU H H 7.132 0.030 1 868 85 85 GLU HA H 4.207 0.030 1 869 85 85 GLU HB2 H 2.102 0.030 2 870 85 85 GLU HB3 H 2.601 0.030 2 871 85 85 GLU HG2 H 2.346 0.030 2 872 85 85 GLU HG3 H 2.303 0.030 2 873 85 85 GLU C C 180.169 0.300 1 874 85 85 GLU CA C 58.652 0.300 1 875 85 85 GLU CB C 30.841 0.300 1 876 85 85 GLU CG C 37.955 0.300 1 877 85 85 GLU N N 117.895 0.300 1 878 86 86 VAL H H 7.744 0.030 1 879 86 86 VAL HA H 3.401 0.030 1 880 86 86 VAL HB H 2.391 0.030 1 881 86 86 VAL HG1 H 0.823 0.030 1 882 86 86 VAL HG2 H 0.942 0.030 1 883 86 86 VAL C C 176.815 0.300 1 884 86 86 VAL CA C 66.955 0.300 1 885 86 86 VAL CB C 31.517 0.300 1 886 86 86 VAL CG1 C 21.570 0.300 2 887 86 86 VAL CG2 C 23.232 0.300 2 888 86 86 VAL N N 120.986 0.300 1 889 87 87 GLU H H 7.911 0.030 1 890 87 87 GLU HA H 3.804 0.030 1 891 87 87 GLU HB2 H 2.047 0.030 2 892 87 87 GLU HB3 H 1.956 0.030 2 893 87 87 GLU HG2 H 2.417 0.030 2 894 87 87 GLU HG3 H 2.070 0.030 2 895 87 87 GLU C C 179.624 0.300 1 896 87 87 GLU CA C 59.812 0.300 1 897 87 87 GLU CB C 29.588 0.300 1 898 87 87 GLU CG C 36.504 0.300 1 899 87 87 GLU N N 115.889 0.300 1 900 88 88 ASP H H 8.218 0.030 1 901 88 88 ASP HA H 4.378 0.030 1 902 88 88 ASP HB2 H 2.780 0.030 2 903 88 88 ASP HB3 H 2.582 0.030 2 904 88 88 ASP C C 177.870 0.300 1 905 88 88 ASP CA C 57.461 0.300 1 906 88 88 ASP CB C 41.084 0.300 1 907 88 88 ASP N N 118.183 0.300 1 908 89 89 ALA H H 7.611 0.030 1 909 89 89 ALA HA H 4.107 0.030 1 910 89 89 ALA HB H 1.471 0.030 1 911 89 89 ALA C C 180.050 0.300 1 912 89 89 ALA CA C 54.933 0.300 1 913 89 89 ALA CB C 17.864 0.300 1 914 89 89 ALA N N 120.107 0.300 1 915 90 90 ILE H H 7.516 0.030 1 916 90 90 ILE HA H 3.729 0.030 1 917 90 90 ILE HB H 1.962 0.030 1 918 90 90 ILE HD1 H 0.742 0.030 1 919 90 90 ILE HG12 H 1.568 0.030 2 920 90 90 ILE HG13 H 1.436 0.030 2 921 90 90 ILE HG2 H 0.668 0.030 1 922 90 90 ILE C C 177.375 0.300 1 923 90 90 ILE CA C 63.090 0.300 1 924 90 90 ILE CB C 37.357 0.300 1 925 90 90 ILE CD1 C 12.603 0.300 1 926 90 90 ILE CG1 C 28.548 0.300 1 927 90 90 ILE CG2 C 17.626 0.300 1 928 90 90 ILE N N 114.257 0.300 1 929 91 91 LYS H H 7.796 0.030 1 930 91 91 LYS HA H 4.211 0.030 1 931 91 91 LYS HB2 H 1.910 0.030 2 932 91 91 LYS HB3 H 1.965 0.030 2 933 91 91 LYS HD2 H 1.696 0.030 1 934 91 91 LYS HD3 H 1.696 0.030 1 935 91 91 LYS HE2 H 2.971 0.030 1 936 91 91 LYS HE3 H 2.971 0.030 1 937 91 91 LYS HG2 H 1.557 0.030 1 938 91 91 LYS HG3 H 1.557 0.030 1 939 91 91 LYS C C 177.486 0.300 1 940 91 91 LYS CA C 57.773 0.300 1 941 91 91 LYS CB C 33.210 0.300 1 942 91 91 LYS CD C 29.508 0.300 1 943 91 91 LYS CE C 42.055 0.300 1 944 91 91 LYS CG C 25.253 0.300 1 945 91 91 LYS N N 118.112 0.300 1 946 92 92 GLN H H 7.432 0.030 1 947 92 92 GLN HA H 4.499 0.030 1 948 92 92 GLN HB2 H 2.146 0.030 1 949 92 92 GLN HB3 H 2.146 0.030 1 950 92 92 GLN HE21 H 7.598 0.030 2 951 92 92 GLN HE22 H 6.720 0.030 2 952 92 92 GLN HG2 H 2.534 0.030 2 953 92 92 GLN HG3 H 2.485 0.030 2 954 92 92 GLN C C 176.531 0.300 1 955 92 92 GLN CA C 55.512 0.300 1 956 92 92 GLN CB C 26.796 0.300 1 957 92 92 GLN CG C 33.155 0.300 1 958 92 92 GLN N N 118.909 0.300 1 959 92 92 GLN NE2 N 111.753 0.300 1 960 93 93 THR H H 8.202 0.030 1 961 93 93 THR HA H 4.100 0.030 1 962 93 93 THR HB H 4.561 0.030 1 963 93 93 THR HG2 H 1.037 0.030 1 964 93 93 THR C C 174.050 0.300 1 965 93 93 THR CA C 63.105 0.300 1 966 93 93 THR CB C 68.321 0.300 1 967 93 93 THR CG2 C 22.317 0.300 1 968 93 93 THR N N 115.882 0.300 1 969 94 94 SER H H 8.018 0.030 1 970 94 94 SER HA H 4.486 0.030 1 971 94 94 SER HB2 H 4.074 0.030 2 972 94 94 SER HB3 H 3.926 0.030 2 973 94 94 SER C C 173.522 0.300 1 974 94 94 SER CA C 59.218 0.300 1 975 94 94 SER CB C 63.293 0.300 1 976 94 94 SER N N 113.605 0.300 1 977 95 95 GLN H H 7.845 0.030 1 978 95 95 GLN HA H 4.769 0.030 1 979 95 95 GLN HB2 H 2.202 0.030 2 980 95 95 GLN HB3 H 1.926 0.030 2 981 95 95 GLN HE21 H 7.522 0.030 2 982 95 95 GLN HE22 H 6.864 0.030 2 983 95 95 GLN HG2 H 2.337 0.030 1 984 95 95 GLN HG3 H 2.337 0.030 1 985 95 95 GLN C C 175.139 0.300 1 986 95 95 GLN CA C 53.715 0.300 1 987 95 95 GLN CB C 31.776 0.300 1 988 95 95 GLN CG C 33.179 0.300 1 989 95 95 GLN N N 119.440 0.300 1 990 95 95 GLN NE2 N 112.199 0.300 1 991 96 96 THR H H 8.538 0.030 1 992 96 96 THR HA H 4.293 0.030 1 993 96 96 THR HB H 4.070 0.030 1 994 96 96 THR HG2 H 1.145 0.030 1 995 96 96 THR C C 173.482 0.300 1 996 96 96 THR CA C 63.277 0.300 1 997 96 96 THR CB C 69.493 0.300 1 998 96 96 THR CG2 C 22.128 0.300 1 999 96 96 THR N N 118.073 0.300 1 1000 97 97 LEU H H 8.722 0.030 1 1001 97 97 LEU HA H 5.025 0.030 1 1002 97 97 LEU HB2 H 1.548 0.030 2 1003 97 97 LEU HB3 H 1.773 0.030 2 1004 97 97 LEU HD1 H 0.958 0.030 1 1005 97 97 LEU HD2 H 1.063 0.030 1 1006 97 97 LEU HG H 1.355 0.030 1 1007 97 97 LEU C C 174.197 0.300 1 1008 97 97 LEU CA C 53.703 0.300 1 1009 97 97 LEU CB C 45.300 0.300 1 1010 97 97 LEU CD1 C 23.908 0.300 2 1011 97 97 LEU CD2 C 26.705 0.300 2 1012 97 97 LEU CG C 27.437 0.300 1 1013 97 97 LEU N N 128.638 0.300 1 1014 98 98 GLN H H 8.816 0.030 1 1015 98 98 GLN HA H 5.405 0.030 1 1016 98 98 GLN HB2 H 1.978 0.030 2 1017 98 98 GLN HB3 H 2.023 0.030 2 1018 98 98 GLN HE21 H 7.269 0.030 2 1019 98 98 GLN HE22 H 6.842 0.030 2 1020 98 98 GLN HG2 H 2.298 0.030 2 1021 98 98 GLN HG3 H 2.201 0.030 2 1022 98 98 GLN C C 175.341 0.300 1 1023 98 98 GLN CA C 54.280 0.300 1 1024 98 98 GLN CB C 31.489 0.300 1 1025 98 98 GLN CG C 34.607 0.300 1 1026 98 98 GLN N N 126.220 0.300 1 1027 98 98 GLN NE2 N 111.210 0.300 1 1028 99 99 LEU H H 9.139 0.030 1 1029 99 99 LEU HA H 5.136 0.030 1 1030 99 99 LEU HB2 H 1.706 0.030 2 1031 99 99 LEU HB3 H 1.147 0.030 2 1032 99 99 LEU HD1 H 0.679 0.030 1 1033 99 99 LEU HD2 H 0.935 0.030 1 1034 99 99 LEU HG H 1.499 0.030 1 1035 99 99 LEU C C 174.063 0.300 1 1036 99 99 LEU CA C 52.853 0.300 1 1037 99 99 LEU CB C 46.201 0.300 1 1038 99 99 LEU CD1 C 26.530 0.300 2 1039 99 99 LEU CD2 C 24.736 0.300 2 1040 99 99 LEU CG C 26.539 0.300 1 1041 99 99 LEU N N 124.051 0.300 1 1042 100 100 LEU H H 8.148 0.030 1 1043 100 100 LEU HA H 5.112 0.030 1 1044 100 100 LEU HB2 H 1.814 0.030 2 1045 100 100 LEU HB3 H 1.435 0.030 2 1046 100 100 LEU HD1 H 0.788 0.030 1 1047 100 100 LEU HD2 H 0.798 0.030 1 1048 100 100 LEU HG H 1.213 0.030 1 1049 100 100 LEU C C 175.349 0.300 1 1050 100 100 LEU CA C 54.173 0.300 1 1051 100 100 LEU CB C 44.110 0.300 1 1052 100 100 LEU CD1 C 25.679 0.300 2 1053 100 100 LEU CD2 C 23.416 0.300 2 1054 100 100 LEU CG C 27.347 0.300 1 1055 100 100 LEU N N 125.768 0.300 1 1056 101 101 ILE H H 9.284 0.030 1 1057 101 101 ILE HA H 5.045 0.030 1 1058 101 101 ILE HB H 1.727 0.030 1 1059 101 101 ILE HD1 H 0.663 0.030 1 1060 101 101 ILE HG12 H 1.419 0.030 2 1061 101 101 ILE HG13 H 0.999 0.030 2 1062 101 101 ILE HG2 H 0.814 0.030 1 1063 101 101 ILE C C 173.951 0.300 1 1064 101 101 ILE CA C 59.519 0.300 1 1065 101 101 ILE CB C 41.093 0.300 1 1066 101 101 ILE CD1 C 13.755 0.300 1 1067 101 101 ILE CG1 C 27.506 0.300 1 1068 101 101 ILE CG2 C 17.928 0.300 1 1069 101 101 ILE N N 127.769 0.300 1 1070 102 102 GLU H H 9.490 0.030 1 1071 102 102 GLU HA H 5.041 0.030 1 1072 102 102 GLU HB2 H 2.166 0.030 2 1073 102 102 GLU HB3 H 1.835 0.030 2 1074 102 102 GLU HG2 H 1.921 0.030 2 1075 102 102 GLU HG3 H 2.088 0.030 2 1076 102 102 GLU C C 174.296 0.300 1 1077 102 102 GLU CA C 54.552 0.300 1 1078 102 102 GLU CB C 33.564 0.300 1 1079 102 102 GLU CG C 37.058 0.300 1 1080 102 102 GLU N N 128.251 0.300 1 1081 103 103 HIS H H 8.895 0.030 1 1082 103 103 HIS HA H 4.999 0.030 1 1083 103 103 HIS HB2 H 3.182 0.030 2 1084 103 103 HIS HB3 H 2.949 0.030 2 1085 103 103 HIS HD2 H 6.948 0.030 1 1086 103 103 HIS C C 172.935 0.300 1 1087 103 103 HIS CA C 54.241 0.300 1 1088 103 103 HIS CB C 30.612 0.300 1 1089 103 103 HIS CD2 C 121.401 0.300 1 1090 103 103 HIS N N 125.965 0.300 1 1091 104 104 ASP H H 8.553 0.030 1 1092 104 104 ASP HA H 4.958 0.030 1 1093 104 104 ASP HB2 H 2.747 0.030 2 1094 104 104 ASP HB3 H 2.345 0.030 2 1095 104 104 ASP C C 173.811 0.300 1 1096 104 104 ASP CA C 51.435 0.300 1 1097 104 104 ASP CB C 41.456 0.300 1 1098 104 104 ASP N N 125.366 0.300 1 1099 105 105 PRO HA H 4.292 0.030 1 1100 105 105 PRO HB2 H 2.167 0.030 2 1101 105 105 PRO HB3 H 1.911 0.030 2 1102 105 105 PRO HD2 H 3.531 0.030 2 1103 105 105 PRO HD3 H 3.840 0.030 2 1104 105 105 PRO HG2 H 1.961 0.030 1 1105 105 105 PRO HG3 H 1.961 0.030 1 1106 105 105 PRO C C 176.790 0.300 1 1107 105 105 PRO CA C 62.977 0.300 1 1108 105 105 PRO CB C 32.248 0.300 1 1109 105 105 PRO CD C 50.495 0.300 1 1110 105 105 PRO CG C 27.112 0.300 1 1111 106 106 VAL H H 8.110 0.030 1 1112 106 106 VAL HA H 4.276 0.030 1 1113 106 106 VAL HB H 2.076 0.030 1 1114 106 106 VAL HG1 H 0.933 0.030 1 1115 106 106 VAL HG2 H 0.925 0.030 1 1116 106 106 VAL C C 174.356 0.300 1 1117 106 106 VAL CA C 60.364 0.300 1 1118 106 106 VAL CB C 32.169 0.300 1 1119 106 106 VAL CG1 C 21.052 0.300 2 1120 106 106 VAL CG2 C 20.865 0.300 2 1121 106 106 VAL N N 121.858 0.300 1 1122 107 107 PRO HA H 4.363 0.030 1 1123 107 107 PRO HB2 H 2.268 0.030 2 1124 107 107 PRO HB3 H 1.841 0.030 2 1125 107 107 PRO HD2 H 3.811 0.030 2 1126 107 107 PRO HD3 H 3.621 0.030 2 1127 107 107 PRO HG2 H 2.004 0.030 2 1128 107 107 PRO HG3 H 1.959 0.030 2 1129 107 107 PRO C C 176.950 0.300 1 1130 107 107 PRO CA C 63.304 0.300 1 1131 107 107 PRO CB C 32.017 0.300 1 1132 107 107 PRO CD C 50.831 0.300 1 1133 107 107 PRO CG C 27.430 0.300 1 1134 108 108 GLN H H 8.391 0.030 1 1135 108 108 GLN HA H 4.264 0.030 1 1136 108 108 GLN HB2 H 2.051 0.030 2 1137 108 108 GLN HB3 H 1.953 0.030 2 1138 108 108 GLN HE21 H 7.570 0.030 2 1139 108 108 GLN HE22 H 6.863 0.030 2 1140 108 108 GLN HG2 H 2.365 0.030 1 1141 108 108 GLN HG3 H 2.365 0.030 1 1142 108 108 GLN C C 175.935 0.300 1 1143 108 108 GLN CA C 55.786 0.300 1 1144 108 108 GLN CB C 29.616 0.300 1 1145 108 108 GLN CG C 33.803 0.300 1 1146 108 108 GLN N N 120.541 0.300 1 1147 108 108 GLN NE2 N 112.759 0.300 1 1148 109 109 ARG H H 8.381 0.030 1 1149 109 109 ARG HA H 4.332 0.030 1 1150 109 109 ARG HB2 H 1.855 0.030 2 1151 109 109 ARG HB3 H 1.756 0.030 2 1152 109 109 ARG HD2 H 3.188 0.030 1 1153 109 109 ARG HD3 H 3.188 0.030 1 1154 109 109 ARG HG2 H 1.616 0.030 2 1155 109 109 ARG HG3 H 1.580 0.030 2 1156 109 109 ARG C C 176.254 0.300 1 1157 109 109 ARG CA C 55.986 0.300 1 1158 109 109 ARG CB C 30.850 0.300 1 1159 109 109 ARG CD C 43.288 0.300 1 1160 109 109 ARG CG C 27.009 0.300 1 1161 109 109 ARG N N 122.743 0.300 1 1162 110 110 LEU H H 8.415 0.030 1 1163 110 110 LEU HA H 4.360 0.030 1 1164 110 110 LEU HB2 H 1.631 0.030 2 1165 110 110 LEU HB3 H 1.586 0.030 2 1166 110 110 LEU HD1 H 0.916 0.030 1 1167 110 110 LEU HD2 H 0.853 0.030 1 1168 110 110 LEU HG H 1.593 0.030 1 1169 110 110 LEU C C 177.101 0.300 1 1170 110 110 LEU CA C 55.194 0.300 1 1171 110 110 LEU CB C 42.325 0.300 1 1172 110 110 LEU CD1 C 24.827 0.300 2 1173 110 110 LEU CD2 C 23.414 0.300 2 1174 110 110 LEU CG C 27.076 0.300 1 1175 110 110 LEU N N 124.034 0.300 1 1176 111 111 ASP H H 8.378 0.030 1 1177 111 111 ASP HA H 4.578 0.030 1 1178 111 111 ASP HB2 H 2.679 0.030 1 1179 111 111 ASP HB3 H 2.679 0.030 1 1180 111 111 ASP C C 176.216 0.300 1 1181 111 111 ASP CA C 54.248 0.300 1 1182 111 111 ASP CB C 40.928 0.300 1 1183 111 111 ASP N N 120.776 0.300 1 1184 112 112 GLN H H 8.290 0.030 1 1185 112 112 GLN HA H 4.398 0.030 1 1186 112 112 GLN HB2 H 2.188 0.030 2 1187 112 112 GLN HB3 H 1.972 0.030 2 1188 112 112 GLN HG2 H 2.368 0.030 1 1189 112 112 GLN HG3 H 2.368 0.030 1 1190 112 112 GLN C C 175.986 0.300 1 1191 112 112 GLN CA C 55.711 0.300 1 1192 112 112 GLN CB C 29.428 0.300 1 1193 112 112 GLN CG C 33.803 0.300 1 1194 112 112 GLN N N 120.649 0.300 1 1195 113 113 SER H H 8.381 0.030 1 1196 113 113 SER HA H 4.466 0.030 1 1197 113 113 SER HB2 H 3.892 0.030 1 1198 113 113 SER HB3 H 3.892 0.030 1 1199 113 113 SER C C 174.603 0.300 1 1200 113 113 SER CA C 58.699 0.300 1 1201 113 113 SER CB C 64.017 0.300 1 1202 113 113 SER N N 116.980 0.300 1 1203 114 114 GLY H H 8.233 0.030 1 1204 114 114 GLY HA2 H 4.178 0.030 2 1205 114 114 GLY HA3 H 4.080 0.030 2 1206 114 114 GLY C C 171.753 0.300 1 1207 114 114 GLY CA C 44.656 0.300 1 1208 114 114 GLY N N 110.641 0.300 1 1209 115 115 PRO HA H 4.482 0.030 1 1210 115 115 PRO HB2 H 2.295 0.030 2 1211 115 115 PRO HB3 H 2.007 0.030 2 1212 115 115 PRO HD2 H 3.636 0.030 1 1213 115 115 PRO HD3 H 3.636 0.030 1 1214 115 115 PRO HG2 H 2.026 0.030 1 1215 115 115 PRO HG3 H 2.026 0.030 1 1216 115 115 PRO C C 177.412 0.300 1 1217 115 115 PRO CA C 63.239 0.300 1 1218 115 115 PRO CB C 32.190 0.300 1 1219 115 115 PRO CD C 49.761 0.300 1 1220 115 115 PRO CG C 27.195 0.300 1 1221 116 116 SER H H 8.557 0.030 1 1222 116 116 SER HA H 4.492 0.030 1 1223 116 116 SER HB2 H 3.906 0.030 1 1224 116 116 SER HB3 H 3.906 0.030 1 1225 116 116 SER C C 174.690 0.300 1 1226 116 116 SER CA C 58.347 0.300 1 1227 116 116 SER CB C 63.895 0.300 1 1228 116 116 SER N N 116.539 0.300 1 1229 117 117 SER H H 8.362 0.030 1 1230 117 117 SER HA H 4.484 0.030 1 1231 117 117 SER HB2 H 3.898 0.030 1 1232 117 117 SER HB3 H 3.898 0.030 1 1233 117 117 SER C C 173.933 0.300 1 1234 117 117 SER CA C 58.379 0.300 1 1235 117 117 SER CB C 63.927 0.300 1 1236 117 117 SER N N 117.974 0.300 1 1237 118 118 GLY H H 8.040 0.030 1 1238 118 118 GLY HA2 H 3.771 0.030 1 1239 118 118 GLY HA3 H 3.771 0.030 1 1240 118 118 GLY C C 179.018 0.300 1 1241 118 118 GLY CA C 46.223 0.300 1 1242 118 118 GLY N N 116.863 0.300 1 stop_ save_