data_11129 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the CH domain of human Rho guanine nucleotide exchange factor 6 ; _BMRB_accession_number 11129 _BMRB_flat_file_name bmr11129.str _Entry_type original _Submission_date 2010-03-31 _Accession_date 2010-03-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 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" 661 "13C chemical shifts" 509 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-01 original author . stop_ _Original_release_date 2011-04-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the CH domain of human Rho guanine nucleotide exchange factor 6 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 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 'Rho guanine nucleotide exchange factor 6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CH 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 'CH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; GSSGSSGEEQIVTWLISLGV LESPKKTICDPEEFLKSSLK NGVVLCKLINRLMPGSVEKF CLDPQTEADCINNINDFLKG CATLQVEIFDPDDLYSGVNF SKVLSTLLAVNKATESGPSS G ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 GLU 10 GLN 11 ILE 12 VAL 13 THR 14 TRP 15 LEU 16 ILE 17 SER 18 LEU 19 GLY 20 VAL 21 LEU 22 GLU 23 SER 24 PRO 25 LYS 26 LYS 27 THR 28 ILE 29 CYS 30 ASP 31 PRO 32 GLU 33 GLU 34 PHE 35 LEU 36 LYS 37 SER 38 SER 39 LEU 40 LYS 41 ASN 42 GLY 43 VAL 44 VAL 45 LEU 46 CYS 47 LYS 48 LEU 49 ILE 50 ASN 51 ARG 52 LEU 53 MET 54 PRO 55 GLY 56 SER 57 VAL 58 GLU 59 LYS 60 PHE 61 CYS 62 LEU 63 ASP 64 PRO 65 GLN 66 THR 67 GLU 68 ALA 69 ASP 70 CYS 71 ILE 72 ASN 73 ASN 74 ILE 75 ASN 76 ASP 77 PHE 78 LEU 79 LYS 80 GLY 81 CYS 82 ALA 83 THR 84 LEU 85 GLN 86 VAL 87 GLU 88 ILE 89 PHE 90 ASP 91 PRO 92 ASP 93 ASP 94 LEU 95 TYR 96 SER 97 GLY 98 VAL 99 ASN 100 PHE 101 SER 102 LYS 103 VAL 104 LEU 105 SER 106 THR 107 LEU 108 LEU 109 ALA 110 VAL 111 ASN 112 LYS 113 ALA 114 THR 115 GLU 116 SER 117 GLY 118 PRO 119 SER 120 SER 121 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-19 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 1WYR "Solution Structure Of The Ch Domain Of Human Rho Guanine Nucleotide Exchange Factor 6" 100.00 121 100.00 100.00 2.24e-79 DBJ BAF84431 "unnamed protein product [Homo sapiens]" 89.26 776 100.00 100.00 1.05e-65 EMBL CAD97632 "hypothetical protein [Homo sapiens]" 89.26 776 100.00 100.00 1.15e-65 GB AAH39856 "Rac/Cdc42 guanine nucleotide exchange factor (GEF) 6 [Homo sapiens]" 89.26 776 100.00 100.00 1.05e-65 GB EAW88460 "Rac/Cdc42 guanine nucleotide exchange factor (GEF) 6, isoform CRA_a [Homo sapiens]" 89.26 776 100.00 100.00 1.05e-65 GB EHH31126 "hypothetical protein EGK_20986 [Macaca mulatta]" 89.26 776 98.15 100.00 6.39e-65 GB EHH61270 "hypothetical protein EGM_19238 [Macaca fascicularis]" 89.26 776 98.15 100.00 6.39e-65 REF NP_001253502 "rho guanine nucleotide exchange factor 6 [Macaca mulatta]" 89.26 776 98.15 100.00 6.39e-65 REF NP_004831 "rho guanine nucleotide exchange factor 6 isoform 1 [Homo sapiens]" 89.26 776 100.00 100.00 1.05e-65 REF XP_002763367 "PREDICTED: rho guanine nucleotide exchange factor 6 isoform X1 [Callithrix jacchus]" 89.26 776 98.15 100.00 6.26e-65 REF XP_002832212 "PREDICTED: rho guanine nucleotide exchange factor 6 isoform X2 [Pongo abelii]" 89.26 776 98.15 100.00 6.14e-65 REF XP_003272624 "PREDICTED: rho guanine nucleotide exchange factor 6 isoform X1 [Nomascus leucogenys]" 89.26 776 98.15 100.00 6.14e-65 SP Q15052 "RecName: Full=Rho guanine nucleotide exchange factor 6; AltName: Full=Alpha-Pix; AltName: Full=COOL-2; AltName: Full=PAK-intera" 89.26 776 100.00 100.00 1.05e-65 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_name $entity_1 'cell free synthesis' . Escherichia coli . P040910-16 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.32mM CH domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.32 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_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.9295 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 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _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 298 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 $XWINNMR $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 'CH 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 5 5 SER HA H 4.539 0.030 1 2 5 5 SER HB2 H 3.793 0.030 2 3 5 5 SER CA C 55.801 0.300 1 4 5 5 SER CB C 61.680 0.300 1 5 6 6 SER H H 8.527 0.030 1 6 6 6 SER HA H 4.442 0.030 1 7 6 6 SER HB2 H 4.069 0.030 2 8 6 6 SER HB3 H 3.908 0.030 2 9 6 6 SER C C 173.189 0.300 1 10 6 6 SER CA C 56.083 0.300 1 11 6 6 SER CB C 62.089 0.300 1 12 6 6 SER N N 118.293 0.300 1 13 7 7 GLY H H 8.808 0.030 1 14 7 7 GLY HA2 H 3.742 0.030 2 15 7 7 GLY HA3 H 3.819 0.030 2 16 7 7 GLY C C 172.911 0.300 1 17 7 7 GLY CA C 44.946 0.300 1 18 7 7 GLY N N 110.255 0.300 1 19 8 8 GLU H H 10.101 0.030 1 20 8 8 GLU HA H 3.690 0.030 1 21 8 8 GLU HB2 H 1.638 0.030 2 22 8 8 GLU HB3 H 2.021 0.030 2 23 8 8 GLU HG2 H 2.194 0.030 2 24 8 8 GLU HG3 H 2.361 0.030 2 25 8 8 GLU C C 176.010 0.300 1 26 8 8 GLU CA C 59.192 0.300 1 27 8 8 GLU CB C 26.340 0.300 1 28 8 8 GLU CG C 35.339 0.300 1 29 8 8 GLU N N 120.566 0.300 1 30 9 9 GLU H H 8.205 0.030 1 31 9 9 GLU HA H 3.794 0.030 1 32 9 9 GLU HB2 H 2.017 0.030 1 33 9 9 GLU HB3 H 2.017 0.030 1 34 9 9 GLU HG2 H 2.172 0.030 2 35 9 9 GLU HG3 H 2.222 0.030 2 36 9 9 GLU C C 176.541 0.300 1 37 9 9 GLU CA C 57.634 0.300 1 38 9 9 GLU CB C 27.225 0.300 1 39 9 9 GLU CG C 35.046 0.300 1 40 9 9 GLU N N 118.216 0.300 1 41 10 10 GLN H H 8.029 0.030 1 42 10 10 GLN HA H 3.941 0.030 1 43 10 10 GLN HB2 H 2.133 0.030 2 44 10 10 GLN HB3 H 1.965 0.030 2 45 10 10 GLN HE21 H 6.981 0.030 2 46 10 10 GLN HE22 H 6.501 0.030 2 47 10 10 GLN HG2 H 2.075 0.030 2 48 10 10 GLN HG3 H 2.313 0.030 2 49 10 10 GLN C C 176.982 0.300 1 50 10 10 GLN CA C 56.775 0.300 1 51 10 10 GLN CB C 25.758 0.300 1 52 10 10 GLN CG C 31.295 0.300 1 53 10 10 GLN N N 119.172 0.300 1 54 10 10 GLN NE2 N 110.252 0.300 1 55 11 11 ILE H H 8.056 0.030 1 56 11 11 ILE HA H 4.083 0.030 1 57 11 11 ILE HB H 2.209 0.030 1 58 11 11 ILE HD1 H 0.564 0.030 1 59 11 11 ILE HG12 H 1.222 0.030 2 60 11 11 ILE HG13 H 1.690 0.030 2 61 11 11 ILE HG2 H 0.964 0.030 1 62 11 11 ILE C C 175.387 0.300 1 63 11 11 ILE CA C 60.046 0.300 1 64 11 11 ILE CB C 32.980 0.300 1 65 11 11 ILE CD1 C 8.023 0.300 1 66 11 11 ILE CG1 C 25.188 0.300 1 67 11 11 ILE CG2 C 16.755 0.300 1 68 11 11 ILE N N 119.118 0.300 1 69 12 12 VAL H H 8.428 0.030 1 70 12 12 VAL HA H 3.367 0.030 1 71 12 12 VAL HB H 2.227 0.030 1 72 12 12 VAL HG1 H 0.876 0.030 1 73 12 12 VAL HG2 H 1.115 0.030 1 74 12 12 VAL C C 174.716 0.300 1 75 12 12 VAL CA C 66.278 0.300 1 76 12 12 VAL CB C 29.551 0.300 1 77 12 12 VAL CG1 C 19.939 0.300 2 78 12 12 VAL CG2 C 21.980 0.300 2 79 12 12 VAL N N 120.855 0.300 1 80 13 13 THR H H 8.092 0.030 1 81 13 13 THR HA H 3.727 0.030 1 82 13 13 THR HB H 4.155 0.030 1 83 13 13 THR HG2 H 1.215 0.030 1 84 13 13 THR C C 174.500 0.300 1 85 13 13 THR CA C 64.462 0.300 1 86 13 13 THR CB C 66.659 0.300 1 87 13 13 THR CG2 C 19.549 0.300 1 88 13 13 THR N N 112.897 0.300 1 89 14 14 TRP H H 8.171 0.030 1 90 14 14 TRP HA H 4.544 0.030 1 91 14 14 TRP HB2 H 3.561 0.030 2 92 14 14 TRP HB3 H 3.157 0.030 2 93 14 14 TRP HD1 H 7.214 0.030 1 94 14 14 TRP HE1 H 10.523 0.030 1 95 14 14 TRP HE3 H 7.446 0.030 1 96 14 14 TRP HH2 H 6.811 0.030 1 97 14 14 TRP HZ2 H 7.271 0.030 1 98 14 14 TRP HZ3 H 6.740 0.030 1 99 14 14 TRP C C 175.538 0.300 1 100 14 14 TRP CA C 57.187 0.300 1 101 14 14 TRP CB C 26.177 0.300 1 102 14 14 TRP CD1 C 124.931 0.300 1 103 14 14 TRP CE3 C 117.636 0.300 1 104 14 14 TRP CH2 C 121.053 0.300 1 105 14 14 TRP CZ2 C 111.790 0.300 1 106 14 14 TRP CZ3 C 118.729 0.300 1 107 14 14 TRP N N 124.285 0.300 1 108 14 14 TRP NE1 N 132.935 0.300 1 109 15 15 LEU H H 8.626 0.030 1 110 15 15 LEU HA H 3.292 0.030 1 111 15 15 LEU HB2 H 1.859 0.030 2 112 15 15 LEU HB3 H 0.918 0.030 2 113 15 15 LEU HD1 H 0.547 0.030 1 114 15 15 LEU HD2 H 0.114 0.030 1 115 15 15 LEU HG H 2.053 0.030 1 116 15 15 LEU C C 177.433 0.300 1 117 15 15 LEU CA C 55.707 0.300 1 118 15 15 LEU CB C 39.468 0.300 1 119 15 15 LEU CD1 C 24.596 0.300 2 120 15 15 LEU CD2 C 21.629 0.300 2 121 15 15 LEU CG C 23.999 0.300 1 122 15 15 LEU N N 117.542 0.300 1 123 16 16 ILE H H 8.169 0.030 1 124 16 16 ILE HA H 4.105 0.030 1 125 16 16 ILE HB H 1.762 0.030 1 126 16 16 ILE HD1 H 0.720 0.030 1 127 16 16 ILE HG12 H 1.778 0.030 2 128 16 16 ILE HG13 H 0.771 0.030 2 129 16 16 ILE HG2 H 0.841 0.030 1 130 16 16 ILE C C 178.894 0.300 1 131 16 16 ILE CA C 62.474 0.300 1 132 16 16 ILE CB C 35.980 0.300 1 133 16 16 ILE CD1 C 12.545 0.300 1 134 16 16 ILE CG1 C 26.692 0.300 1 135 16 16 ILE CG2 C 14.709 0.300 1 136 16 16 ILE N N 118.851 0.300 1 137 17 17 SER H H 8.496 0.030 1 138 17 17 SER HA H 4.177 0.030 1 139 17 17 SER HB2 H 4.029 0.030 2 140 17 17 SER HB3 H 4.080 0.030 2 141 17 17 SER C C 174.012 0.300 1 142 17 17 SER CA C 59.532 0.300 1 143 17 17 SER CB C 60.355 0.300 1 144 17 17 SER N N 119.547 0.300 1 145 18 18 LEU H H 7.596 0.030 1 146 18 18 LEU HA H 4.137 0.030 1 147 18 18 LEU HB2 H 1.397 0.030 2 148 18 18 LEU HB3 H 1.190 0.030 2 149 18 18 LEU HD1 H -0.091 0.030 1 150 18 18 LEU HD2 H 0.610 0.030 1 151 18 18 LEU HG H 1.361 0.030 1 152 18 18 LEU C C 175.476 0.300 1 153 18 18 LEU CA C 52.873 0.300 1 154 18 18 LEU CB C 41.832 0.300 1 155 18 18 LEU CD1 C 23.388 0.300 2 156 18 18 LEU CD2 C 19.943 0.300 2 157 18 18 LEU CG C 24.308 0.300 1 158 18 18 LEU N N 119.487 0.300 1 159 19 19 GLY H H 7.895 0.030 1 160 19 19 GLY HA2 H 4.028 0.030 2 161 19 19 GLY HA3 H 3.907 0.030 2 162 19 19 GLY C C 172.627 0.300 1 163 19 19 GLY CA C 43.170 0.300 1 164 19 19 GLY N N 105.959 0.300 1 165 20 20 VAL H H 7.004 0.030 1 166 20 20 VAL HA H 4.150 0.030 1 167 20 20 VAL HB H 2.200 0.030 1 168 20 20 VAL HG1 H 0.532 0.030 1 169 20 20 VAL HG2 H 0.521 0.030 1 170 20 20 VAL C C 170.205 0.300 1 171 20 20 VAL CA C 59.008 0.300 1 172 20 20 VAL CB C 28.943 0.300 1 173 20 20 VAL CG1 C 19.360 0.300 2 174 20 20 VAL CG2 C 17.908 0.300 2 175 20 20 VAL N N 108.462 0.300 1 176 21 21 LEU H H 6.655 0.030 1 177 21 21 LEU HA H 4.418 0.030 1 178 21 21 LEU HB2 H 1.313 0.030 2 179 21 21 LEU HB3 H 0.931 0.030 2 180 21 21 LEU HD1 H 0.832 0.030 1 181 21 21 LEU HD2 H 0.829 0.030 1 182 21 21 LEU HG H 1.592 0.030 1 183 21 21 LEU C C 172.251 0.300 1 184 21 21 LEU CA C 50.544 0.300 1 185 21 21 LEU CB C 44.989 0.300 1 186 21 21 LEU CD1 C 21.862 0.300 2 187 21 21 LEU CD2 C 23.905 0.300 2 188 21 21 LEU CG C 24.423 0.300 1 189 21 21 LEU N N 120.508 0.300 1 190 22 22 GLU H H 8.384 0.030 1 191 22 22 GLU HA H 4.125 0.030 1 192 22 22 GLU HB2 H 1.847 0.030 2 193 22 22 GLU HB3 H 1.797 0.030 2 194 22 22 GLU HG2 H 2.150 0.030 1 195 22 22 GLU HG3 H 2.150 0.030 1 196 22 22 GLU C C 173.606 0.300 1 197 22 22 GLU CA C 53.635 0.300 1 198 22 22 GLU CB C 28.175 0.300 1 199 22 22 GLU CG C 34.047 0.300 1 200 22 22 GLU N N 124.550 0.300 1 201 23 23 SER H H 8.517 0.030 1 202 23 23 SER HA H 4.352 0.030 1 203 23 23 SER HB2 H 3.715 0.030 1 204 23 23 SER HB3 H 3.715 0.030 1 205 23 23 SER C C 171.427 0.300 1 206 23 23 SER CA C 54.157 0.300 1 207 23 23 SER CB C 60.946 0.300 1 208 23 23 SER N N 117.975 0.300 1 209 24 24 PRO HA H 4.386 0.030 1 210 24 24 PRO HB2 H 1.875 0.030 2 211 24 24 PRO HB3 H 2.007 0.030 2 212 24 24 PRO HD2 H 3.625 0.030 2 213 24 24 PRO HD3 H 3.571 0.030 2 214 24 24 PRO HG2 H 1.685 0.030 2 215 24 24 PRO HG3 H 1.491 0.030 2 216 24 24 PRO CA C 60.379 0.300 1 217 24 24 PRO CB C 29.642 0.300 1 218 24 24 PRO CD C 48.301 0.300 1 219 24 24 PRO CG C 24.678 0.300 1 220 25 25 LYS HA H 4.004 0.030 1 221 25 25 LYS HB2 H 1.787 0.030 2 222 25 25 LYS HB3 H 1.643 0.030 2 223 25 25 LYS HD2 H 1.546 0.030 2 224 25 25 LYS HE2 H 2.897 0.030 2 225 25 25 LYS HG2 H 1.380 0.030 2 226 25 25 LYS HG3 H 1.306 0.030 2 227 25 25 LYS C C 173.969 0.300 1 228 25 25 LYS CA C 54.583 0.300 1 229 25 25 LYS CB C 29.728 0.300 1 230 25 25 LYS CD C 26.515 0.300 1 231 25 25 LYS CE C 39.848 0.300 1 232 25 25 LYS CG C 22.728 0.300 1 233 26 26 LYS H H 7.423 0.030 1 234 26 26 LYS HA H 4.322 0.030 1 235 26 26 LYS HB2 H 1.566 0.030 2 236 26 26 LYS HB3 H 1.705 0.030 2 237 26 26 LYS HD2 H 1.540 0.030 1 238 26 26 LYS HD3 H 1.540 0.030 1 239 26 26 LYS HE2 H 2.831 0.030 1 240 26 26 LYS HE3 H 2.831 0.030 1 241 26 26 LYS HG2 H 1.188 0.030 1 242 26 26 LYS HG3 H 1.188 0.030 1 243 26 26 LYS C C 173.195 0.300 1 244 26 26 LYS CA C 52.525 0.300 1 245 26 26 LYS CB C 31.833 0.300 1 246 26 26 LYS CD C 26.753 0.300 1 247 26 26 LYS CE C 39.530 0.300 1 248 26 26 LYS CG C 21.770 0.300 1 249 26 26 LYS N N 116.786 0.300 1 250 27 27 THR H H 7.983 0.030 1 251 27 27 THR HA H 3.782 0.030 1 252 27 27 THR HB H 3.785 0.030 1 253 27 27 THR HG2 H 0.993 0.030 1 254 27 27 THR C C 171.820 0.300 1 255 27 27 THR CA C 61.011 0.300 1 256 27 27 THR CB C 67.106 0.300 1 257 27 27 THR CG2 C 19.534 0.300 1 258 27 27 THR N N 116.259 0.300 1 259 28 28 ILE H H 8.404 0.030 1 260 28 28 ILE HA H 3.781 0.030 1 261 28 28 ILE HB H 1.552 0.030 1 262 28 28 ILE HD1 H 0.157 0.030 1 263 28 28 ILE HG12 H 0.472 0.030 2 264 28 28 ILE HG13 H 1.066 0.030 2 265 28 28 ILE HG2 H 0.452 0.030 1 266 28 28 ILE C C 173.443 0.300 1 267 28 28 ILE CA C 58.303 0.300 1 268 28 28 ILE CB C 35.428 0.300 1 269 28 28 ILE CD1 C 10.350 0.300 1 270 28 28 ILE CG1 C 24.614 0.300 1 271 28 28 ILE CG2 C 15.154 0.300 1 272 28 28 ILE N N 126.279 0.300 1 273 29 29 CYS HA H 4.323 0.030 1 274 29 29 CYS HB2 H 2.786 0.030 1 275 29 29 CYS HB3 H 2.786 0.030 1 276 29 29 CYS CA C 57.165 0.300 1 277 29 29 CYS CB C 25.698 0.300 1 278 30 30 ASP HA H 4.940 0.030 1 279 30 30 ASP HB2 H 2.824 0.030 2 280 30 30 ASP HB3 H 2.429 0.030 2 281 30 30 ASP CA C 48.728 0.300 1 282 30 30 ASP CB C 39.302 0.300 1 283 31 31 PRO HA H 4.085 0.030 1 284 31 31 PRO HB2 H 2.131 0.030 2 285 31 31 PRO HB3 H 1.724 0.030 2 286 31 31 PRO HD2 H 3.488 0.030 2 287 31 31 PRO HD3 H 3.914 0.030 2 288 31 31 PRO HG2 H 1.920 0.030 2 289 31 31 PRO HG3 H 2.059 0.030 2 290 31 31 PRO C C 175.080 0.300 1 291 31 31 PRO CA C 62.987 0.300 1 292 31 31 PRO CB C 29.568 0.300 1 293 31 31 PRO CD C 48.401 0.300 1 294 31 31 PRO CG C 25.087 0.300 1 295 32 32 GLU H H 8.100 0.030 1 296 32 32 GLU HA H 3.619 0.030 1 297 32 32 GLU HB2 H 2.044 0.030 2 298 32 32 GLU HB3 H 1.985 0.030 2 299 32 32 GLU HG2 H 1.709 0.030 2 300 32 32 GLU HG3 H 1.966 0.030 2 301 32 32 GLU C C 174.891 0.300 1 302 32 32 GLU CA C 58.314 0.300 1 303 32 32 GLU CB C 27.105 0.300 1 304 32 32 GLU CG C 34.172 0.300 1 305 32 32 GLU N N 118.558 0.300 1 306 33 33 GLU H H 7.486 0.030 1 307 33 33 GLU HA H 3.666 0.030 1 308 33 33 GLU HB2 H 1.892 0.030 2 309 33 33 GLU HB3 H 1.860 0.030 2 310 33 33 GLU HG2 H 2.191 0.030 2 311 33 33 GLU HG3 H 2.140 0.030 2 312 33 33 GLU C C 176.698 0.300 1 313 33 33 GLU CA C 56.569 0.300 1 314 33 33 GLU CB C 26.934 0.300 1 315 33 33 GLU CG C 33.579 0.300 1 316 33 33 GLU N N 119.099 0.300 1 317 34 34 PHE H H 8.114 0.030 1 318 34 34 PHE HA H 4.219 0.030 1 319 34 34 PHE HB2 H 3.226 0.030 2 320 34 34 PHE HB3 H 2.803 0.030 2 321 34 34 PHE HD1 H 7.052 0.030 1 322 34 34 PHE HD2 H 7.052 0.030 1 323 34 34 PHE HE1 H 7.153 0.030 1 324 34 34 PHE HE2 H 7.153 0.030 1 325 34 34 PHE HZ H 7.228 0.030 1 326 34 34 PHE C C 176.600 0.300 1 327 34 34 PHE CA C 58.450 0.300 1 328 34 34 PHE CB C 37.525 0.300 1 329 34 34 PHE CD1 C 129.019 0.300 1 330 34 34 PHE CD2 C 129.019 0.300 1 331 34 34 PHE CE1 C 129.031 0.300 1 332 34 34 PHE CE2 C 129.031 0.300 1 333 34 34 PHE CZ C 127.566 0.300 1 334 34 34 PHE N N 118.816 0.300 1 335 35 35 LEU H H 8.357 0.030 1 336 35 35 LEU HA H 3.566 0.030 1 337 35 35 LEU HB2 H 1.897 0.030 2 338 35 35 LEU HB3 H 1.290 0.030 2 339 35 35 LEU HD1 H 0.900 0.030 1 340 35 35 LEU HD2 H 0.718 0.030 1 341 35 35 LEU HG H 1.825 0.030 1 342 35 35 LEU C C 175.411 0.300 1 343 35 35 LEU CA C 55.546 0.300 1 344 35 35 LEU CB C 40.256 0.300 1 345 35 35 LEU CD1 C 23.321 0.300 2 346 35 35 LEU CD2 C 21.250 0.300 2 347 35 35 LEU CG C 24.348 0.300 1 348 35 35 LEU N N 121.895 0.300 1 349 36 36 LYS H H 8.100 0.030 1 350 36 36 LYS HA H 3.178 0.030 1 351 36 36 LYS HB2 H 1.275 0.030 2 352 36 36 LYS HB3 H 1.350 0.030 2 353 36 36 LYS HD2 H 1.248 0.030 2 354 36 36 LYS HD3 H 1.205 0.030 2 355 36 36 LYS HE2 H 2.451 0.030 2 356 36 36 LYS HE3 H 2.522 0.030 2 357 36 36 LYS HG2 H 0.615 0.030 2 358 36 36 LYS HG3 H 0.403 0.030 2 359 36 36 LYS C C 176.837 0.300 1 360 36 36 LYS CA C 58.531 0.300 1 361 36 36 LYS CB C 30.043 0.300 1 362 36 36 LYS CD C 27.368 0.300 1 363 36 36 LYS CE C 39.366 0.300 1 364 36 36 LYS CG C 23.038 0.300 1 365 36 36 LYS N N 118.893 0.300 1 366 37 37 SER H H 7.686 0.030 1 367 37 37 SER HA H 4.014 0.030 1 368 37 37 SER HB2 H 3.744 0.030 1 369 37 37 SER HB3 H 3.744 0.030 1 370 37 37 SER C C 175.488 0.300 1 371 37 37 SER CA C 58.455 0.300 1 372 37 37 SER CB C 60.500 0.300 1 373 37 37 SER N N 110.328 0.300 1 374 38 38 SER H H 8.040 0.030 1 375 38 38 SER HA H 3.992 0.030 1 376 38 38 SER HB2 H 3.327 0.030 1 377 38 38 SER HB3 H 3.327 0.030 1 378 38 38 SER C C 173.353 0.300 1 379 38 38 SER CA C 59.254 0.300 1 380 38 38 SER CB C 60.723 0.300 1 381 38 38 SER N N 116.321 0.300 1 382 39 39 LEU H H 7.857 0.030 1 383 39 39 LEU HA H 4.455 0.030 1 384 39 39 LEU HB2 H 1.726 0.030 2 385 39 39 LEU HB3 H 1.315 0.030 2 386 39 39 LEU HD1 H 0.584 0.030 1 387 39 39 LEU HD2 H 0.449 0.030 1 388 39 39 LEU HG H 1.838 0.030 1 389 39 39 LEU C C 175.369 0.300 1 390 39 39 LEU CA C 52.029 0.300 1 391 39 39 LEU CB C 40.694 0.300 1 392 39 39 LEU CD1 C 23.726 0.300 2 393 39 39 LEU CD2 C 19.487 0.300 2 394 39 39 LEU CG C 24.152 0.300 1 395 39 39 LEU N N 116.023 0.300 1 396 40 40 LYS H H 6.677 0.030 1 397 40 40 LYS HA H 3.492 0.030 1 398 40 40 LYS HB2 H 2.065 0.030 2 399 40 40 LYS HB3 H 1.621 0.030 2 400 40 40 LYS HD2 H 1.377 0.030 2 401 40 40 LYS HD3 H 1.454 0.030 2 402 40 40 LYS HE2 H 2.416 0.030 2 403 40 40 LYS HE3 H 2.587 0.030 2 404 40 40 LYS HG2 H 1.290 0.030 2 405 40 40 LYS HG3 H 1.151 0.030 2 406 40 40 LYS C C 171.201 0.300 1 407 40 40 LYS CA C 58.973 0.300 1 408 40 40 LYS CB C 31.243 0.300 1 409 40 40 LYS CD C 27.427 0.300 1 410 40 40 LYS CE C 39.529 0.300 1 411 40 40 LYS CG C 22.534 0.300 1 412 40 40 LYS N N 120.836 0.300 1 413 41 41 ASN H H 7.951 0.030 1 414 41 41 ASN HA H 4.590 0.030 1 415 41 41 ASN HB2 H 3.668 0.030 2 416 41 41 ASN HB3 H 2.833 0.030 2 417 41 41 ASN HD21 H 7.197 0.030 2 418 41 41 ASN HD22 H 7.869 0.030 2 419 41 41 ASN C C 174.886 0.300 1 420 41 41 ASN CA C 49.705 0.300 1 421 41 41 ASN CB C 36.540 0.300 1 422 41 41 ASN N N 107.793 0.300 1 423 41 41 ASN ND2 N 111.376 0.300 1 424 42 42 GLY H H 7.715 0.030 1 425 42 42 GLY HA2 H 4.143 0.030 2 426 42 42 GLY HA3 H 3.428 0.030 2 427 42 42 GLY C C 171.499 0.300 1 428 42 42 GLY CA C 45.644 0.300 1 429 42 42 GLY N N 103.286 0.300 1 430 43 43 VAL H H 7.795 0.030 1 431 43 43 VAL HA H 3.312 0.030 1 432 43 43 VAL HB H 2.182 0.030 1 433 43 43 VAL HG1 H 1.026 0.030 1 434 43 43 VAL HG2 H 1.038 0.030 1 435 43 43 VAL C C 175.106 0.300 1 436 43 43 VAL CA C 65.534 0.300 1 437 43 43 VAL CB C 29.345 0.300 1 438 43 43 VAL CG1 C 21.218 0.300 2 439 43 43 VAL CG2 C 19.119 0.300 2 440 43 43 VAL N N 121.525 0.300 1 441 44 44 VAL H H 8.603 0.030 1 442 44 44 VAL HA H 3.232 0.030 1 443 44 44 VAL HB H 1.771 0.030 1 444 44 44 VAL HG1 H 0.475 0.030 1 445 44 44 VAL HG2 H 1.062 0.030 1 446 44 44 VAL C C 175.221 0.300 1 447 44 44 VAL CA C 64.470 0.300 1 448 44 44 VAL CB C 28.922 0.300 1 449 44 44 VAL CG1 C 19.062 0.300 2 450 44 44 VAL CG2 C 20.896 0.300 2 451 44 44 VAL N N 118.141 0.300 1 452 45 45 LEU H H 7.978 0.030 1 453 45 45 LEU HA H 3.452 0.030 1 454 45 45 LEU HB2 H 1.189 0.030 2 455 45 45 LEU HB3 H 0.271 0.030 2 456 45 45 LEU HD1 H 0.454 0.030 1 457 45 45 LEU HD2 H 0.043 0.030 1 458 45 45 LEU HG H 1.524 0.030 1 459 45 45 LEU C C 176.094 0.300 1 460 45 45 LEU CA C 55.062 0.300 1 461 45 45 LEU CB C 36.371 0.300 1 462 45 45 LEU CD1 C 23.949 0.300 2 463 45 45 LEU CD2 C 19.916 0.300 2 464 45 45 LEU CG C 23.324 0.300 1 465 45 45 LEU N N 116.147 0.300 1 466 46 46 CYS H H 7.400 0.030 1 467 46 46 CYS HA H 3.815 0.030 1 468 46 46 CYS HB2 H 1.864 0.030 2 469 46 46 CYS HB3 H 0.620 0.030 2 470 46 46 CYS C C 174.121 0.300 1 471 46 46 CYS CA C 63.365 0.300 1 472 46 46 CYS CB C 22.933 0.300 1 473 46 46 CYS N N 118.110 0.300 1 474 47 47 LYS H H 7.971 0.030 1 475 47 47 LYS HA H 3.802 0.030 1 476 47 47 LYS HB2 H 1.863 0.030 2 477 47 47 LYS HB3 H 1.597 0.030 2 478 47 47 LYS HD2 H 1.607 0.030 1 479 47 47 LYS HD3 H 1.607 0.030 1 480 47 47 LYS HE2 H 2.781 0.030 2 481 47 47 LYS HE3 H 2.880 0.030 2 482 47 47 LYS HG2 H 1.400 0.030 2 483 47 47 LYS HG3 H 1.685 0.030 2 484 47 47 LYS C C 177.697 0.300 1 485 47 47 LYS CA C 57.682 0.300 1 486 47 47 LYS CB C 30.080 0.300 1 487 47 47 LYS CD C 28.072 0.300 1 488 47 47 LYS CE C 39.682 0.300 1 489 47 47 LYS CG C 24.034 0.300 1 490 47 47 LYS N N 117.759 0.300 1 491 48 48 LEU H H 8.753 0.030 1 492 48 48 LEU HA H 3.653 0.030 1 493 48 48 LEU HB2 H 2.221 0.030 2 494 48 48 LEU HB3 H 1.041 0.030 2 495 48 48 LEU HD1 H 0.118 0.030 1 496 48 48 LEU HD2 H 0.616 0.030 1 497 48 48 LEU HG H 1.138 0.030 1 498 48 48 LEU C C 175.584 0.300 1 499 48 48 LEU CA C 55.797 0.300 1 500 48 48 LEU CB C 39.616 0.300 1 501 48 48 LEU CD1 C 20.848 0.300 2 502 48 48 LEU CD2 C 23.127 0.300 2 503 48 48 LEU CG C 24.871 0.300 1 504 48 48 LEU N N 119.980 0.300 1 505 49 49 ILE H H 8.197 0.030 1 506 49 49 ILE HA H 4.059 0.030 1 507 49 49 ILE HB H 1.865 0.030 1 508 49 49 ILE HD1 H 0.705 0.030 1 509 49 49 ILE HG12 H 1.506 0.030 2 510 49 49 ILE HG13 H 1.201 0.030 2 511 49 49 ILE HG2 H 1.131 0.030 1 512 49 49 ILE C C 173.966 0.300 1 513 49 49 ILE CA C 59.250 0.300 1 514 49 49 ILE CB C 36.397 0.300 1 515 49 49 ILE CD1 C 11.477 0.300 1 516 49 49 ILE CG1 C 27.109 0.300 1 517 49 49 ILE CG2 C 17.943 0.300 1 518 49 49 ILE N N 118.330 0.300 1 519 50 50 ASN H H 7.281 0.030 1 520 50 50 ASN HA H 4.771 0.030 1 521 50 50 ASN HB2 H 2.675 0.030 2 522 50 50 ASN HB3 H 2.619 0.030 2 523 50 50 ASN HD21 H 7.022 0.030 2 524 50 50 ASN HD22 H 7.546 0.030 2 525 50 50 ASN C C 175.067 0.300 1 526 50 50 ASN CA C 52.252 0.300 1 527 50 50 ASN CB C 36.397 0.300 1 528 50 50 ASN N N 119.668 0.300 1 529 50 50 ASN ND2 N 109.364 0.300 1 530 51 51 ARG H H 7.678 0.030 1 531 51 51 ARG HA H 4.118 0.030 1 532 51 51 ARG HB2 H 2.021 0.030 2 533 51 51 ARG HB3 H 1.761 0.030 2 534 51 51 ARG HD2 H 3.080 0.030 2 535 51 51 ARG HD3 H 3.267 0.030 2 536 51 51 ARG HG2 H 1.566 0.030 2 537 51 51 ARG HG3 H 1.424 0.030 2 538 51 51 ARG C C 175.670 0.300 1 539 51 51 ARG CA C 54.539 0.300 1 540 51 51 ARG CB C 26.917 0.300 1 541 51 51 ARG CD C 39.853 0.300 1 542 51 51 ARG CG C 25.262 0.300 1 543 51 51 ARG N N 119.930 0.300 1 544 52 52 LEU H H 7.737 0.030 1 545 52 52 LEU HA H 4.163 0.030 1 546 52 52 LEU HB2 H 1.727 0.030 2 547 52 52 LEU HB3 H 1.493 0.030 2 548 52 52 LEU HD1 H 0.856 0.030 1 549 52 52 LEU HD2 H 0.914 0.030 1 550 52 52 LEU HG H 1.842 0.030 1 551 52 52 LEU C C 175.495 0.300 1 552 52 52 LEU CA C 54.321 0.300 1 553 52 52 LEU CB C 40.708 0.300 1 554 52 52 LEU CD1 C 23.772 0.300 2 555 52 52 LEU CD2 C 19.371 0.300 2 556 52 52 LEU CG C 23.941 0.300 1 557 52 52 LEU N N 117.204 0.300 1 558 53 53 MET H H 8.479 0.030 1 559 53 53 MET HA H 4.711 0.030 1 560 53 53 MET HB2 H 1.952 0.030 2 561 53 53 MET HB3 H 1.833 0.030 2 562 53 53 MET HE H 1.893 0.030 1 563 53 53 MET HG2 H 2.212 0.030 2 564 53 53 MET HG3 H 2.351 0.030 2 565 53 53 MET C C 169.047 0.300 1 566 53 53 MET CA C 50.466 0.300 1 567 53 53 MET CB C 31.205 0.300 1 568 53 53 MET CE C 14.424 0.300 1 569 53 53 MET CG C 29.232 0.300 1 570 53 53 MET N N 118.126 0.300 1 571 54 54 PRO HA H 4.633 0.030 1 572 54 54 PRO HB2 H 2.208 0.030 2 573 54 54 PRO HB3 H 1.760 0.030 2 574 54 54 PRO HD2 H 3.517 0.030 2 575 54 54 PRO HD3 H 3.303 0.030 2 576 54 54 PRO HG2 H 1.933 0.030 2 577 54 54 PRO HG3 H 2.009 0.030 2 578 54 54 PRO C C 175.805 0.300 1 579 54 54 PRO CA C 62.139 0.300 1 580 54 54 PRO CB C 29.303 0.300 1 581 54 54 PRO CD C 47.642 0.300 1 582 54 54 PRO CG C 25.036 0.300 1 583 55 55 GLY H H 8.523 0.030 1 584 55 55 GLY HA2 H 4.078 0.030 2 585 55 55 GLY HA3 H 3.577 0.030 2 586 55 55 GLY C C 172.342 0.300 1 587 55 55 GLY CA C 42.690 0.300 1 588 55 55 GLY N N 112.099 0.300 1 589 56 56 SER H H 8.069 0.030 1 590 56 56 SER HA H 4.012 0.030 1 591 56 56 SER HB2 H 3.667 0.030 2 592 56 56 SER HB3 H 3.822 0.030 2 593 56 56 SER C C 172.649 0.300 1 594 56 56 SER CA C 60.175 0.300 1 595 56 56 SER CB C 61.407 0.300 1 596 56 56 SER N N 117.276 0.300 1 597 57 57 VAL H H 8.811 0.030 1 598 57 57 VAL HA H 4.143 0.030 1 599 57 57 VAL HB H 1.805 0.030 1 600 57 57 VAL HG1 H 0.822 0.030 1 601 57 57 VAL HG2 H 0.648 0.030 1 602 57 57 VAL C C 173.447 0.300 1 603 57 57 VAL CA C 59.143 0.300 1 604 57 57 VAL CB C 30.808 0.300 1 605 57 57 VAL CG1 C 20.744 0.300 2 606 57 57 VAL CG2 C 19.248 0.300 2 607 57 57 VAL N N 121.455 0.300 1 608 58 58 GLU H H 8.776 0.030 1 609 58 58 GLU HA H 3.950 0.030 1 610 58 58 GLU HB2 H 1.920 0.030 1 611 58 58 GLU HB3 H 1.920 0.030 1 612 58 58 GLU HG2 H 2.210 0.030 2 613 58 58 GLU HG3 H 2.084 0.030 2 614 58 58 GLU C C 174.018 0.300 1 615 58 58 GLU CA C 56.656 0.300 1 616 58 58 GLU CB C 28.144 0.300 1 617 58 58 GLU CG C 34.042 0.300 1 618 58 58 GLU N N 127.213 0.300 1 619 59 59 LYS H H 7.879 0.030 1 620 59 59 LYS HA H 4.403 0.030 1 621 59 59 LYS HB2 H 1.675 0.030 2 622 59 59 LYS HB3 H 1.601 0.030 2 623 59 59 LYS HD2 H 1.524 0.030 1 624 59 59 LYS HD3 H 1.524 0.030 1 625 59 59 LYS HE2 H 2.831 0.030 1 626 59 59 LYS HE3 H 2.831 0.030 1 627 59 59 LYS HG2 H 1.223 0.030 2 628 59 59 LYS HG3 H 1.183 0.030 2 629 59 59 LYS C C 171.292 0.300 1 630 59 59 LYS CA C 53.098 0.300 1 631 59 59 LYS CB C 31.897 0.300 1 632 59 59 LYS CD C 26.918 0.300 1 633 59 59 LYS CE C 39.778 0.300 1 634 59 59 LYS CG C 21.964 0.300 1 635 59 59 LYS N N 116.546 0.300 1 636 60 60 PHE H H 7.641 0.030 1 637 60 60 PHE HA H 4.980 0.030 1 638 60 60 PHE HB2 H 3.199 0.030 2 639 60 60 PHE HB3 H 3.006 0.030 2 640 60 60 PHE HD1 H 6.751 0.030 1 641 60 60 PHE HD2 H 6.751 0.030 1 642 60 60 PHE HE1 H 7.079 0.030 1 643 60 60 PHE HE2 H 7.079 0.030 1 644 60 60 PHE HZ H 7.034 0.030 1 645 60 60 PHE C C 170.584 0.300 1 646 60 60 PHE CA C 53.553 0.300 1 647 60 60 PHE CB C 36.261 0.300 1 648 60 60 PHE CD1 C 130.352 0.300 1 649 60 60 PHE CD2 C 130.352 0.300 1 650 60 60 PHE CE1 C 128.710 0.300 1 651 60 60 PHE CE2 C 128.710 0.300 1 652 60 60 PHE CZ C 127.206 0.300 1 653 60 60 PHE N N 119.007 0.300 1 654 61 61 CYS H H 8.699 0.030 1 655 61 61 CYS HA H 4.337 0.030 1 656 61 61 CYS HB2 H 2.939 0.030 2 657 61 61 CYS HB3 H 2.693 0.030 2 658 61 61 CYS C C 172.554 0.300 1 659 61 61 CYS CA C 56.558 0.300 1 660 61 61 CYS CB C 24.267 0.300 1 661 61 61 CYS N N 120.266 0.300 1 662 62 62 LEU H H 8.264 0.030 1 663 62 62 LEU HA H 3.935 0.030 1 664 62 62 LEU HB2 H 1.412 0.030 1 665 62 62 LEU HB3 H 1.412 0.030 1 666 62 62 LEU HD1 H 0.677 0.030 1 667 62 62 LEU HD2 H 0.545 0.030 1 668 62 62 LEU HG H 1.285 0.030 1 669 62 62 LEU C C 173.461 0.300 1 670 62 62 LEU CA C 54.833 0.300 1 671 62 62 LEU CB C 40.012 0.300 1 672 62 62 LEU CD1 C 22.293 0.300 2 673 62 62 LEU CD2 C 21.736 0.300 2 674 62 62 LEU CG C 25.153 0.300 1 675 62 62 LEU N N 128.980 0.300 1 676 63 63 ASP H H 7.691 0.030 1 677 63 63 ASP HA H 4.897 0.030 1 678 63 63 ASP HB2 H 2.207 0.030 2 679 63 63 ASP HB3 H 2.540 0.030 2 680 63 63 ASP C C 170.091 0.300 1 681 63 63 ASP CA C 48.795 0.300 1 682 63 63 ASP CB C 38.586 0.300 1 683 63 63 ASP N N 114.749 0.300 1 684 64 64 PRO HA H 4.443 0.030 1 685 64 64 PRO HB2 H 2.251 0.030 2 686 64 64 PRO HB3 H 1.990 0.030 2 687 64 64 PRO HD2 H 3.418 0.030 2 688 64 64 PRO HD3 H 3.492 0.030 2 689 64 64 PRO HG2 H 1.822 0.030 2 690 64 64 PRO HG3 H 2.308 0.030 2 691 64 64 PRO C C 175.097 0.300 1 692 64 64 PRO CA C 61.639 0.300 1 693 64 64 PRO CB C 31.439 0.300 1 694 64 64 PRO CD C 47.635 0.300 1 695 64 64 PRO CG C 26.562 0.300 1 696 65 65 GLN H H 9.688 0.030 1 697 65 65 GLN HA H 4.369 0.030 1 698 65 65 GLN HB2 H 2.297 0.030 2 699 65 65 GLN HB3 H 1.834 0.030 2 700 65 65 GLN HE21 H 6.567 0.030 2 701 65 65 GLN HE22 H 7.088 0.030 2 702 65 65 GLN HG2 H 2.344 0.030 1 703 65 65 GLN HG3 H 2.344 0.030 1 704 65 65 GLN C C 173.544 0.300 1 705 65 65 GLN CA C 53.093 0.300 1 706 65 65 GLN CB C 29.181 0.300 1 707 65 65 GLN CG C 31.034 0.300 1 708 65 65 GLN N N 122.773 0.300 1 709 65 65 GLN NE2 N 114.328 0.300 1 710 66 66 THR H H 7.595 0.030 1 711 66 66 THR HA H 4.657 0.030 1 712 66 66 THR HB H 4.482 0.030 1 713 66 66 THR HG2 H 1.127 0.030 1 714 66 66 THR C C 172.625 0.300 1 715 66 66 THR CA C 56.582 0.300 1 716 66 66 THR CB C 70.746 0.300 1 717 66 66 THR CG2 C 19.341 0.300 1 718 66 66 THR N N 107.997 0.300 1 719 67 67 GLU H H 8.888 0.030 1 720 67 67 GLU HA H 3.638 0.030 1 721 67 67 GLU HB2 H 2.050 0.030 2 722 67 67 GLU HB3 H 1.778 0.030 2 723 67 67 GLU HG2 H 1.727 0.030 2 724 67 67 GLU HG3 H 1.606 0.030 2 725 67 67 GLU C C 175.216 0.300 1 726 67 67 GLU CA C 57.742 0.300 1 727 67 67 GLU CB C 27.465 0.300 1 728 67 67 GLU CG C 33.439 0.300 1 729 67 67 GLU N N 123.135 0.300 1 730 68 68 ALA H H 8.117 0.030 1 731 68 68 ALA HA H 3.806 0.030 1 732 68 68 ALA HB H 1.231 0.030 1 733 68 68 ALA C C 177.341 0.300 1 734 68 68 ALA CA C 52.913 0.300 1 735 68 68 ALA CB C 15.663 0.300 1 736 68 68 ALA N N 118.906 0.300 1 737 69 69 ASP H H 7.629 0.030 1 738 69 69 ASP HA H 4.348 0.030 1 739 69 69 ASP HB2 H 2.822 0.030 2 740 69 69 ASP HB3 H 2.709 0.030 2 741 69 69 ASP C C 175.839 0.300 1 742 69 69 ASP CA C 55.328 0.300 1 743 69 69 ASP CB C 40.578 0.300 1 744 69 69 ASP N N 116.634 0.300 1 745 70 70 CYS H H 7.324 0.030 1 746 70 70 CYS HA H 4.216 0.030 1 747 70 70 CYS HB2 H 3.201 0.030 2 748 70 70 CYS HB3 H 2.716 0.030 2 749 70 70 CYS C C 174.647 0.300 1 750 70 70 CYS CA C 60.025 0.300 1 751 70 70 CYS CB C 25.911 0.300 1 752 70 70 CYS N N 117.238 0.300 1 753 71 71 ILE H H 8.379 0.030 1 754 71 71 ILE HA H 3.449 0.030 1 755 71 71 ILE HB H 1.827 0.030 1 756 71 71 ILE HD1 H 0.387 0.030 1 757 71 71 ILE HG12 H 1.090 0.030 2 758 71 71 ILE HG13 H 1.049 0.030 2 759 71 71 ILE HG2 H 0.715 0.030 1 760 71 71 ILE C C 175.897 0.300 1 761 71 71 ILE CA C 60.843 0.300 1 762 71 71 ILE CB C 33.494 0.300 1 763 71 71 ILE CD1 C 7.759 0.300 1 764 71 71 ILE CG1 C 25.430 0.300 1 765 71 71 ILE CG2 C 15.069 0.300 1 766 71 71 ILE N N 119.362 0.300 1 767 72 72 ASN H H 8.500 0.030 1 768 72 72 ASN HA H 4.418 0.030 1 769 72 72 ASN HB2 H 2.929 0.030 1 770 72 72 ASN HB3 H 2.929 0.030 1 771 72 72 ASN HD21 H 6.766 0.030 2 772 72 72 ASN HD22 H 7.659 0.030 2 773 72 72 ASN C C 175.382 0.300 1 774 72 72 ASN CA C 54.093 0.300 1 775 72 72 ASN CB C 35.053 0.300 1 776 72 72 ASN N N 119.131 0.300 1 777 72 72 ASN ND2 N 112.391 0.300 1 778 73 73 ASN H H 7.636 0.030 1 779 73 73 ASN HA H 4.369 0.030 1 780 73 73 ASN HB2 H 3.662 0.030 2 781 73 73 ASN HB3 H 2.709 0.030 2 782 73 73 ASN HD21 H 7.041 0.030 2 783 73 73 ASN HD22 H 8.250 0.030 2 784 73 73 ASN C C 174.947 0.300 1 785 73 73 ASN CA C 53.124 0.300 1 786 73 73 ASN CB C 35.924 0.300 1 787 73 73 ASN N N 118.040 0.300 1 788 73 73 ASN ND2 N 106.013 0.300 1 789 74 74 ILE H H 8.426 0.030 1 790 74 74 ILE HA H 3.465 0.030 1 791 74 74 ILE HB H 1.888 0.030 1 792 74 74 ILE HD1 H 1.110 0.030 1 793 74 74 ILE HG12 H 2.095 0.030 2 794 74 74 ILE HG13 H 0.750 0.030 2 795 74 74 ILE HG2 H 1.124 0.030 1 796 74 74 ILE C C 175.552 0.300 1 797 74 74 ILE CA C 64.453 0.300 1 798 74 74 ILE CB C 36.526 0.300 1 799 74 74 ILE CD1 C 11.535 0.300 1 800 74 74 ILE CG1 C 27.821 0.300 1 801 74 74 ILE CG2 C 16.550 0.300 1 802 74 74 ILE N N 119.881 0.300 1 803 75 75 ASN H H 9.074 0.030 1 804 75 75 ASN HA H 4.482 0.030 1 805 75 75 ASN HB2 H 2.912 0.030 2 806 75 75 ASN HB3 H 2.617 0.030 2 807 75 75 ASN HD21 H 7.417 0.030 2 808 75 75 ASN HD22 H 6.833 0.030 2 809 75 75 ASN C C 176.139 0.300 1 810 75 75 ASN CA C 53.952 0.300 1 811 75 75 ASN CB C 35.903 0.300 1 812 75 75 ASN N N 118.269 0.300 1 813 75 75 ASN ND2 N 111.354 0.300 1 814 76 76 ASP H H 8.312 0.030 1 815 76 76 ASP HA H 4.520 0.030 1 816 76 76 ASP HB2 H 2.902 0.030 2 817 76 76 ASP HB3 H 2.528 0.030 2 818 76 76 ASP C C 177.082 0.300 1 819 76 76 ASP CA C 56.002 0.300 1 820 76 76 ASP CB C 37.679 0.300 1 821 76 76 ASP N N 122.983 0.300 1 822 77 77 PHE H H 7.934 0.030 1 823 77 77 PHE HA H 3.989 0.030 1 824 77 77 PHE HB2 H 3.358 0.030 2 825 77 77 PHE HB3 H 2.956 0.030 2 826 77 77 PHE HD1 H 7.076 0.030 3 827 77 77 PHE HD2 H 6.948 0.030 3 828 77 77 PHE HE1 H 6.865 0.030 3 829 77 77 PHE HZ H 6.837 0.030 1 830 77 77 PHE C C 174.421 0.300 1 831 77 77 PHE CA C 59.097 0.300 1 832 77 77 PHE CB C 35.837 0.300 1 833 77 77 PHE CZ C 127.080 0.300 1 834 77 77 PHE N N 121.781 0.300 1 835 78 78 LEU H H 8.496 0.030 1 836 78 78 LEU HA H 3.343 0.030 1 837 78 78 LEU HB2 H 1.961 0.030 2 838 78 78 LEU HB3 H 1.082 0.030 2 839 78 78 LEU HD1 H 0.629 0.030 1 840 78 78 LEU HD2 H -0.048 0.030 1 841 78 78 LEU HG H 1.727 0.030 1 842 78 78 LEU C C 177.863 0.300 1 843 78 78 LEU CA C 55.667 0.300 1 844 78 78 LEU CB C 38.999 0.300 1 845 78 78 LEU CD1 C 23.733 0.300 2 846 78 78 LEU CD2 C 18.819 0.300 2 847 78 78 LEU CG C 24.184 0.300 1 848 78 78 LEU N N 120.676 0.300 1 849 79 79 LYS H H 8.142 0.030 1 850 79 79 LYS HA H 3.880 0.030 1 851 79 79 LYS HB2 H 1.856 0.030 1 852 79 79 LYS HB3 H 1.856 0.030 1 853 79 79 LYS HD2 H 1.636 0.030 1 854 79 79 LYS HD3 H 1.636 0.030 1 855 79 79 LYS HE2 H 2.885 0.030 2 856 79 79 LYS HG2 H 1.333 0.030 2 857 79 79 LYS HG3 H 1.514 0.030 2 858 79 79 LYS C C 177.663 0.300 1 859 79 79 LYS CA C 57.332 0.300 1 860 79 79 LYS CB C 29.778 0.300 1 861 79 79 LYS CD C 27.022 0.300 1 862 79 79 LYS CE C 39.891 0.300 1 863 79 79 LYS CG C 22.933 0.300 1 864 79 79 LYS N N 120.544 0.300 1 865 80 80 GLY H H 7.589 0.030 1 866 80 80 GLY HA2 H 3.854 0.030 2 867 80 80 GLY HA3 H 3.281 0.030 2 868 80 80 GLY C C 172.792 0.300 1 869 80 80 GLY CA C 44.276 0.300 1 870 80 80 GLY N N 107.428 0.300 1 871 81 81 CYS H H 7.650 0.030 1 872 81 81 CYS HA H 3.686 0.030 1 873 81 81 CYS HB2 H 2.485 0.030 2 874 81 81 CYS HB3 H 2.065 0.030 2 875 81 81 CYS C C 174.153 0.300 1 876 81 81 CYS CA C 60.260 0.300 1 877 81 81 CYS CB C 24.608 0.300 1 878 81 81 CYS N N 117.839 0.300 1 879 82 82 ALA H H 7.536 0.030 1 880 82 82 ALA HA H 4.025 0.030 1 881 82 82 ALA HB H 1.401 0.030 1 882 82 82 ALA C C 178.479 0.300 1 883 82 82 ALA CA C 52.938 0.300 1 884 82 82 ALA CB C 15.761 0.300 1 885 82 82 ALA N N 121.421 0.300 1 886 83 83 THR H H 7.553 0.030 1 887 83 83 THR HA H 3.996 0.030 1 888 83 83 THR HB H 4.178 0.030 1 889 83 83 THR HG2 H 1.179 0.030 1 890 83 83 THR C C 173.239 0.300 1 891 83 83 THR CA C 62.164 0.300 1 892 83 83 THR CB C 66.457 0.300 1 893 83 83 THR CG2 C 19.441 0.300 1 894 83 83 THR N N 110.546 0.300 1 895 84 84 LEU H H 7.418 0.030 1 896 84 84 LEU HA H 4.178 0.030 1 897 84 84 LEU HB2 H 1.773 0.030 2 898 84 84 LEU HB3 H 1.360 0.030 2 899 84 84 LEU HD1 H 0.748 0.030 1 900 84 84 LEU HD2 H 0.728 0.030 1 901 84 84 LEU HG H 1.519 0.030 1 902 84 84 LEU C C 173.692 0.300 1 903 84 84 LEU CA C 52.546 0.300 1 904 84 84 LEU CB C 40.800 0.300 1 905 84 84 LEU CD1 C 24.447 0.300 2 906 84 84 LEU CD2 C 20.262 0.300 2 907 84 84 LEU CG C 24.507 0.300 1 908 84 84 LEU N N 119.388 0.300 1 909 85 85 GLN H H 7.806 0.030 1 910 85 85 GLN HA H 3.852 0.030 1 911 85 85 GLN HB2 H 2.139 0.030 2 912 85 85 GLN HB3 H 2.073 0.030 2 913 85 85 GLN HE21 H 6.695 0.030 2 914 85 85 GLN HE22 H 7.396 0.030 2 915 85 85 GLN HG2 H 2.138 0.030 1 916 85 85 GLN HG3 H 2.138 0.030 1 917 85 85 GLN C C 172.601 0.300 1 918 85 85 GLN CA C 54.323 0.300 1 919 85 85 GLN CB C 23.477 0.300 1 920 85 85 GLN CG C 31.808 0.300 1 921 85 85 GLN N N 112.923 0.300 1 922 85 85 GLN NE2 N 111.930 0.300 1 923 86 86 VAL H H 6.875 0.030 1 924 86 86 VAL HA H 4.376 0.030 1 925 86 86 VAL HB H 2.024 0.030 1 926 86 86 VAL HG1 H 0.672 0.030 1 927 86 86 VAL HG2 H 0.535 0.030 1 928 86 86 VAL C C 172.846 0.300 1 929 86 86 VAL CA C 56.444 0.300 1 930 86 86 VAL CB C 31.617 0.300 1 931 86 86 VAL CG1 C 19.466 0.300 2 932 86 86 VAL CG2 C 16.182 0.300 2 933 86 86 VAL N N 110.107 0.300 1 934 87 87 GLU H H 8.396 0.030 1 935 87 87 GLU HA H 4.096 0.030 1 936 87 87 GLU HB2 H 1.867 0.030 2 937 87 87 GLU HB3 H 1.832 0.030 2 938 87 87 GLU HG2 H 2.227 0.030 2 939 87 87 GLU HG3 H 2.168 0.030 2 940 87 87 GLU C C 174.696 0.300 1 941 87 87 GLU CA C 54.269 0.300 1 942 87 87 GLU CB C 27.499 0.300 1 943 87 87 GLU CG C 33.842 0.300 1 944 87 87 GLU N N 122.308 0.300 1 945 88 88 ILE H H 8.004 0.030 1 946 88 88 ILE HA H 4.368 0.030 1 947 88 88 ILE HB H 1.728 0.030 1 948 88 88 ILE HD1 H 0.680 0.030 1 949 88 88 ILE HG12 H 1.078 0.030 2 950 88 88 ILE HG13 H 1.151 0.030 2 951 88 88 ILE HG2 H 0.686 0.030 1 952 88 88 ILE C C 171.603 0.300 1 953 88 88 ILE CA C 58.095 0.300 1 954 88 88 ILE CB C 37.714 0.300 1 955 88 88 ILE CD1 C 11.880 0.300 1 956 88 88 ILE CG1 C 23.357 0.300 1 957 88 88 ILE CG2 C 16.278 0.300 1 958 88 88 ILE N N 116.010 0.300 1 959 89 89 PHE H H 6.110 0.030 1 960 89 89 PHE HA H 4.803 0.030 1 961 89 89 PHE HB2 H 3.676 0.030 2 962 89 89 PHE HB3 H 2.631 0.030 2 963 89 89 PHE HD1 H 7.505 0.030 1 964 89 89 PHE HD2 H 7.505 0.030 1 965 89 89 PHE HE1 H 7.134 0.030 1 966 89 89 PHE HE2 H 7.134 0.030 1 967 89 89 PHE HZ H 6.983 0.030 1 968 89 89 PHE C C 170.202 0.300 1 969 89 89 PHE CA C 52.071 0.300 1 970 89 89 PHE CB C 37.323 0.300 1 971 89 89 PHE CD1 C 132.136 0.300 1 972 89 89 PHE CD2 C 132.136 0.300 1 973 89 89 PHE CE1 C 128.474 0.300 1 974 89 89 PHE CE2 C 128.474 0.300 1 975 89 89 PHE CZ C 126.631 0.300 1 976 89 89 PHE N N 114.080 0.300 1 977 90 90 ASP H H 8.960 0.030 1 978 90 90 ASP HA H 4.968 0.030 1 979 90 90 ASP HB2 H 2.494 0.030 2 980 90 90 ASP HB3 H 2.739 0.030 2 981 90 90 ASP C C 173.783 0.300 1 982 90 90 ASP CA C 49.560 0.300 1 983 90 90 ASP CB C 40.261 0.300 1 984 90 90 ASP N N 120.914 0.300 1 985 91 91 PRO HA H 4.272 0.030 1 986 91 91 PRO HB2 H 2.106 0.030 2 987 91 91 PRO HB3 H 2.064 0.030 2 988 91 91 PRO HD2 H 3.688 0.030 2 989 91 91 PRO HD3 H 3.814 0.030 2 990 91 91 PRO HG2 H 2.208 0.030 2 991 91 91 PRO HG3 H 1.982 0.030 2 992 91 91 PRO C C 175.680 0.300 1 993 91 91 PRO CA C 64.758 0.300 1 994 91 91 PRO CB C 30.121 0.300 1 995 91 91 PRO CD C 47.998 0.300 1 996 91 91 PRO CG C 25.552 0.300 1 997 92 92 ASP H H 8.840 0.030 1 998 92 92 ASP HA H 4.587 0.030 1 999 92 92 ASP HB2 H 2.602 0.030 2 1000 92 92 ASP HB3 H 2.523 0.030 2 1001 92 92 ASP C C 176.385 0.300 1 1002 92 92 ASP CA C 55.334 0.300 1 1003 92 92 ASP CB C 39.310 0.300 1 1004 92 92 ASP N N 115.636 0.300 1 1005 93 93 ASP H H 8.357 0.030 1 1006 93 93 ASP HA H 4.268 0.030 1 1007 93 93 ASP HB2 H 2.904 0.030 2 1008 93 93 ASP HB3 H 2.708 0.030 2 1009 93 93 ASP C C 174.473 0.300 1 1010 93 93 ASP CA C 55.679 0.300 1 1011 93 93 ASP CB C 38.093 0.300 1 1012 93 93 ASP N N 120.624 0.300 1 1013 94 94 LEU H H 6.684 0.030 1 1014 94 94 LEU HA H 4.285 0.030 1 1015 94 94 LEU HB2 H 2.000 0.030 2 1016 94 94 LEU HB3 H 1.277 0.030 2 1017 94 94 LEU HD1 H 0.860 0.030 1 1018 94 94 LEU HD2 H 0.926 0.030 1 1019 94 94 LEU HG H 1.525 0.030 1 1020 94 94 LEU C C 175.335 0.300 1 1021 94 94 LEU CA C 53.517 0.300 1 1022 94 94 LEU CB C 41.000 0.300 1 1023 94 94 LEU CD1 C 20.122 0.300 2 1024 94 94 LEU CD2 C 24.967 0.300 2 1025 94 94 LEU CG C 25.403 0.300 1 1026 94 94 LEU N N 113.579 0.300 1 1027 95 95 TYR H H 8.775 0.030 1 1028 95 95 TYR HA H 3.966 0.030 1 1029 95 95 TYR HB2 H 2.927 0.030 2 1030 95 95 TYR HB3 H 2.844 0.030 2 1031 95 95 TYR HD1 H 7.091 0.030 1 1032 95 95 TYR HD2 H 7.091 0.030 1 1033 95 95 TYR HE1 H 6.836 0.030 1 1034 95 95 TYR HE2 H 6.836 0.030 1 1035 95 95 TYR C C 173.885 0.300 1 1036 95 95 TYR CA C 60.703 0.300 1 1037 95 95 TYR CB C 36.801 0.300 1 1038 95 95 TYR CD1 C 131.125 0.300 1 1039 95 95 TYR CD2 C 131.125 0.300 1 1040 95 95 TYR CE1 C 115.501 0.300 1 1041 95 95 TYR CE2 C 115.501 0.300 1 1042 95 95 TYR N N 119.618 0.300 1 1043 96 96 SER H H 7.966 0.030 1 1044 96 96 SER HA H 4.339 0.030 1 1045 96 96 SER HB2 H 3.937 0.030 2 1046 96 96 SER C C 173.435 0.300 1 1047 96 96 SER CA C 56.744 0.300 1 1048 96 96 SER CB C 61.128 0.300 1 1049 96 96 SER N N 108.709 0.300 1 1050 97 97 GLY H H 7.039 0.030 1 1051 97 97 GLY HA2 H 3.833 0.030 2 1052 97 97 GLY HA3 H 3.679 0.030 2 1053 97 97 GLY C C 172.279 0.300 1 1054 97 97 GLY CA C 44.224 0.300 1 1055 97 97 GLY N N 108.102 0.300 1 1056 98 98 VAL H H 7.539 0.030 1 1057 98 98 VAL HA H 3.871 0.030 1 1058 98 98 VAL HB H 1.940 0.030 1 1059 98 98 VAL HG1 H 0.820 0.030 1 1060 98 98 VAL HG2 H 0.812 0.030 1 1061 98 98 VAL C C 174.052 0.300 1 1062 98 98 VAL CA C 61.565 0.300 1 1063 98 98 VAL CB C 30.283 0.300 1 1064 98 98 VAL CG1 C 18.910 0.300 1 1065 98 98 VAL CG2 C 18.910 0.300 1 1066 98 98 VAL N N 117.380 0.300 1 1067 99 99 ASN H H 8.039 0.030 1 1068 99 99 ASN HA H 4.826 0.030 1 1069 99 99 ASN HB2 H 2.848 0.030 2 1070 99 99 ASN HB3 H 2.566 0.030 2 1071 99 99 ASN HD21 H 6.824 0.030 2 1072 99 99 ASN HD22 H 7.688 0.030 2 1073 99 99 ASN C C 172.742 0.300 1 1074 99 99 ASN CA C 49.941 0.300 1 1075 99 99 ASN CB C 35.254 0.300 1 1076 99 99 ASN N N 117.053 0.300 1 1077 99 99 ASN ND2 N 112.495 0.300 1 1078 100 100 PHE H H 8.486 0.030 1 1079 100 100 PHE HA H 3.793 0.030 1 1080 100 100 PHE HB2 H 2.992 0.030 2 1081 100 100 PHE HB3 H 2.856 0.030 2 1082 100 100 PHE HD1 H 7.121 0.030 1 1083 100 100 PHE HD2 H 7.121 0.030 1 1084 100 100 PHE HE1 H 6.920 0.030 1 1085 100 100 PHE HE2 H 6.920 0.030 1 1086 100 100 PHE HZ H 6.706 0.030 1 1087 100 100 PHE C C 174.220 0.300 1 1088 100 100 PHE CA C 59.341 0.300 1 1089 100 100 PHE CB C 36.835 0.300 1 1090 100 100 PHE CD1 C 130.076 0.300 1 1091 100 100 PHE CD2 C 130.076 0.300 1 1092 100 100 PHE CE1 C 127.623 0.300 1 1093 100 100 PHE CE2 C 127.623 0.300 1 1094 100 100 PHE CZ C 125.770 0.300 1 1095 100 100 PHE N N 121.814 0.300 1 1096 101 101 SER H H 8.651 0.030 1 1097 101 101 SER HA H 3.856 0.030 1 1098 101 101 SER C C 174.793 0.300 1 1099 101 101 SER CA C 59.602 0.300 1 1100 101 101 SER N N 114.090 0.300 1 1101 102 102 LYS H H 7.185 0.030 1 1102 102 102 LYS HA H 3.924 0.030 1 1103 102 102 LYS HB2 H 1.870 0.030 2 1104 102 102 LYS HB3 H 1.653 0.030 2 1105 102 102 LYS HD2 H 1.606 0.030 2 1106 102 102 LYS HD3 H 1.701 0.030 2 1107 102 102 LYS HE2 H 2.896 0.030 2 1108 102 102 LYS HG2 H 1.329 0.030 2 1109 102 102 LYS HG3 H 1.444 0.030 2 1110 102 102 LYS C C 176.260 0.300 1 1111 102 102 LYS CA C 56.585 0.300 1 1112 102 102 LYS CB C 30.390 0.300 1 1113 102 102 LYS CD C 26.915 0.300 1 1114 102 102 LYS CE C 39.613 0.300 1 1115 102 102 LYS CG C 23.119 0.300 1 1116 102 102 LYS N N 121.109 0.300 1 1117 103 103 VAL H H 6.564 0.030 1 1118 103 103 VAL HA H 2.809 0.030 1 1119 103 103 VAL HB H 1.227 0.030 1 1120 103 103 VAL HG1 H 0.083 0.030 1 1121 103 103 VAL HG2 H -0.216 0.030 1 1122 103 103 VAL C C 175.466 0.300 1 1123 103 103 VAL CA C 61.911 0.300 1 1124 103 103 VAL CB C 27.596 0.300 1 1125 103 103 VAL CG1 C 17.293 0.300 2 1126 103 103 VAL CG2 C 18.143 0.300 2 1127 103 103 VAL N N 119.774 0.300 1 1128 104 104 LEU H H 7.526 0.030 1 1129 104 104 LEU HA H 3.463 0.030 1 1130 104 104 LEU HB2 H 1.443 0.030 2 1131 104 104 LEU HB3 H 1.116 0.030 2 1132 104 104 LEU HD1 H 0.700 0.030 1 1133 104 104 LEU HD2 H 0.666 0.030 1 1134 104 104 LEU HG H 1.296 0.030 1 1135 104 104 LEU C C 175.889 0.300 1 1136 104 104 LEU CA C 55.489 0.300 1 1137 104 104 LEU CB C 38.485 0.300 1 1138 104 104 LEU CD1 C 22.516 0.300 2 1139 104 104 LEU CD2 C 22.776 0.300 2 1140 104 104 LEU CG C 23.838 0.300 1 1141 104 104 LEU N N 117.997 0.300 1 1142 105 105 SER H H 7.790 0.030 1 1143 105 105 SER HA H 3.836 0.030 1 1144 105 105 SER HB2 H 3.975 0.030 2 1145 105 105 SER HB3 H 3.835 0.030 2 1146 105 105 SER C C 175.797 0.300 1 1147 105 105 SER CA C 60.049 0.300 1 1148 105 105 SER CB C 60.049 0.300 1 1149 105 105 SER N N 112.214 0.300 1 1150 106 106 THR H H 7.852 0.030 1 1151 106 106 THR HA H 4.020 0.030 1 1152 106 106 THR HB H 4.383 0.030 1 1153 106 106 THR HG2 H 1.369 0.030 1 1154 106 106 THR C C 173.671 0.300 1 1155 106 106 THR CA C 65.939 0.300 1 1156 106 106 THR CB C 66.531 0.300 1 1157 106 106 THR CG2 C 19.697 0.300 1 1158 106 106 THR N N 120.926 0.300 1 1159 107 107 LEU H H 8.341 0.030 1 1160 107 107 LEU HA H 3.983 0.030 1 1161 107 107 LEU HB2 H 1.963 0.030 2 1162 107 107 LEU HB3 H 1.368 0.030 2 1163 107 107 LEU HD1 H 0.652 0.030 1 1164 107 107 LEU HD2 H 0.757 0.030 1 1165 107 107 LEU HG H 1.884 0.030 1 1166 107 107 LEU C C 176.350 0.300 1 1167 107 107 LEU CA C 56.639 0.300 1 1168 107 107 LEU CB C 38.823 0.300 1 1169 107 107 LEU CD1 C 23.838 0.300 2 1170 107 107 LEU CD2 C 20.136 0.300 2 1171 107 107 LEU CG C 24.600 0.300 1 1172 107 107 LEU N N 120.171 0.300 1 1173 108 108 LEU H H 8.701 0.030 1 1174 108 108 LEU HA H 3.658 0.030 1 1175 108 108 LEU HB2 H 1.729 0.030 2 1176 108 108 LEU HB3 H 1.285 0.030 2 1177 108 108 LEU HD1 H 0.699 0.030 1 1178 108 108 LEU HD2 H 0.651 0.030 1 1179 108 108 LEU HG H 1.466 0.030 1 1180 108 108 LEU C C 176.924 0.300 1 1181 108 108 LEU CA C 55.860 0.300 1 1182 108 108 LEU CB C 39.127 0.300 1 1183 108 108 LEU CD1 C 23.456 0.300 2 1184 108 108 LEU CD2 C 20.353 0.300 2 1185 108 108 LEU CG C 24.871 0.300 1 1186 108 108 LEU N N 119.462 0.300 1 1187 109 109 ALA H H 7.836 0.030 1 1188 109 109 ALA HA H 4.080 0.030 1 1189 109 109 ALA HB H 1.564 0.030 1 1190 109 109 ALA C C 178.935 0.300 1 1191 109 109 ALA CA C 52.795 0.300 1 1192 109 109 ALA CB C 15.994 0.300 1 1193 109 109 ALA N N 122.668 0.300 1 1194 110 110 VAL H H 8.759 0.030 1 1195 110 110 VAL HA H 3.425 0.030 1 1196 110 110 VAL HB H 2.391 0.030 1 1197 110 110 VAL HG1 H 0.969 0.030 1 1198 110 110 VAL HG2 H 1.133 0.030 1 1199 110 110 VAL C C 175.894 0.300 1 1200 110 110 VAL CA C 64.694 0.300 1 1201 110 110 VAL CB C 29.426 0.300 1 1202 110 110 VAL CG1 C 20.058 0.300 2 1203 110 110 VAL CG2 C 22.119 0.300 2 1204 110 110 VAL N N 121.244 0.300 1 1205 111 111 ASN H H 8.066 0.030 1 1206 111 111 ASN HA H 3.431 0.030 1 1207 111 111 ASN HB2 H 2.199 0.030 2 1208 111 111 ASN HB3 H 0.744 0.030 2 1209 111 111 ASN HD21 H 4.186 0.030 2 1210 111 111 ASN HD22 H 6.358 0.030 2 1211 111 111 ASN C C 174.032 0.300 1 1212 111 111 ASN CA C 55.082 0.300 1 1213 111 111 ASN CB C 35.790 0.300 1 1214 111 111 ASN N N 120.570 0.300 1 1215 111 111 ASN ND2 N 107.952 0.300 1 1216 112 112 LYS H H 7.818 0.030 1 1217 112 112 LYS HA H 3.811 0.030 1 1218 112 112 LYS HB2 H 1.741 0.030 2 1219 112 112 LYS HD2 H 1.529 0.030 2 1220 112 112 LYS HE2 H 2.820 0.030 2 1221 112 112 LYS HG2 H 1.340 0.030 2 1222 112 112 LYS C C 176.415 0.300 1 1223 112 112 LYS CA C 56.409 0.300 1 1224 112 112 LYS CB C 29.704 0.300 1 1225 112 112 LYS CD C 26.325 0.300 1 1226 112 112 LYS CE C 39.665 0.300 1 1227 112 112 LYS CG C 22.284 0.300 1 1228 112 112 LYS N N 118.053 0.300 1 1229 113 113 ALA H H 7.992 0.030 1 1230 113 113 ALA HA H 4.158 0.030 1 1231 113 113 ALA HB H 1.439 0.030 1 1232 113 113 ALA C C 176.616 0.300 1 1233 113 113 ALA CA C 51.694 0.300 1 1234 113 113 ALA CB C 16.864 0.300 1 1235 113 113 ALA N N 118.700 0.300 1 1236 114 114 THR H H 7.475 0.030 1 1237 114 114 THR HA H 4.446 0.030 1 1238 114 114 THR HB H 4.493 0.030 1 1239 114 114 THR HG2 H 1.270 0.030 1 1240 114 114 THR C C 172.718 0.300 1 1241 114 114 THR CA C 59.407 0.300 1 1242 114 114 THR CB C 68.239 0.300 1 1243 114 114 THR CG2 C 19.891 0.300 1 1244 114 114 THR N N 104.807 0.300 1 1245 115 115 GLU H H 7.502 0.030 1 1246 115 115 GLU HA H 4.257 0.030 1 1247 115 115 GLU HB2 H 1.935 0.030 1 1248 115 115 GLU HB3 H 1.935 0.030 1 1249 115 115 GLU HG2 H 2.142 0.030 2 1250 115 115 GLU HG3 H 2.189 0.030 2 1251 115 115 GLU C C 174.464 0.300 1 1252 115 115 GLU CA C 55.047 0.300 1 1253 115 115 GLU CB C 27.617 0.300 1 1254 115 115 GLU CG C 33.548 0.300 1 1255 115 115 GLU N N 122.783 0.300 1 1256 116 116 SER H H 8.274 0.030 1 1257 116 116 SER HA H 4.461 0.030 1 1258 116 116 SER HB2 H 3.822 0.030 2 1259 116 116 SER C C 172.402 0.300 1 1260 116 116 SER CA C 56.143 0.300 1 1261 116 116 SER CB C 61.581 0.300 1 1262 116 116 SER N N 116.125 0.300 1 1263 117 117 GLY H H 8.127 0.030 1 1264 117 117 GLY HA2 H 4.010 0.030 2 1265 117 117 GLY HA3 H 4.102 0.030 2 1266 117 117 GLY C C 169.532 0.300 1 1267 117 117 GLY CA C 42.400 0.300 1 1268 117 117 GLY N N 110.272 0.300 1 1269 118 118 PRO HA H 4.399 0.030 1 1270 118 118 PRO HB2 H 2.208 0.030 2 1271 118 118 PRO HB3 H 1.880 0.030 2 1272 118 118 PRO HD2 H 3.557 0.030 1 1273 118 118 PRO HD3 H 3.557 0.030 1 1274 118 118 PRO HG2 H 1.931 0.030 2 1275 118 118 PRO CA C 60.917 0.300 1 1276 118 118 PRO CB C 29.843 0.300 1 1277 118 118 PRO CD C 47.510 0.300 1 1278 118 118 PRO CG C 24.871 0.300 1 1279 119 119 SER H H 8.456 0.030 1 1280 119 119 SER CA C 56.017 0.300 1 1281 119 119 SER CB C 61.539 0.300 1 1282 119 119 SER N N 116.119 0.300 1 1283 120 120 SER CA C 56.099 0.300 1 1284 120 120 SER CB C 61.704 0.300 1 1285 121 121 GLY H H 7.970 0.030 1 1286 121 121 GLY CA C 44.064 0.300 1 1287 121 121 GLY N N 116.483 0.300 1 stop_ save_