data_11357 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of WW domain in transcription elongation regulator 1 ; _BMRB_accession_number 11357 _BMRB_flat_file_name bmr11357.str _Entry_type original _Submission_date 2010-09-07 _Accession_date 2010-09-07 _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 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" 390 "13C chemical shifts" 295 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of WW domain in transcription elongation regulator 1' _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada T. . . 7 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 'Transcription elongation regulator 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'WW 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 'WW domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; GSSGSSGKAKPVATAPIPGT PWCVVWTGDERVFFYNPTTR LSMWDRPDDLIGRADVDKII QEPPHKKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 ALA 10 LYS 11 PRO 12 VAL 13 ALA 14 THR 15 ALA 16 PRO 17 ILE 18 PRO 19 GLY 20 THR 21 PRO 22 TRP 23 CYS 24 VAL 25 VAL 26 TRP 27 THR 28 GLY 29 ASP 30 GLU 31 ARG 32 VAL 33 PHE 34 PHE 35 TYR 36 ASN 37 PRO 38 THR 39 THR 40 ARG 41 LEU 42 SER 43 MET 44 TRP 45 ASP 46 ARG 47 PRO 48 ASP 49 ASP 50 LEU 51 ILE 52 GLY 53 ARG 54 ALA 55 ASP 56 VAL 57 ASP 58 LYS 59 ILE 60 ILE 61 GLN 62 GLU 63 PRO 64 PRO 65 HIS 66 LYS 67 LYS 68 SER 69 GLY 70 PRO 71 SER 72 SER 73 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2DK7 "Solution Structure Of Ww Domain In Transcription Elongation Regulator 1" 100.00 73 100.00 100.00 1.79e-44 REF XP_008143734 "PREDICTED: transcription elongation regulator 1 [Eptesicus fuscus]" 61.64 1082 97.78 100.00 2.64e-23 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P050822-13 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.8mM U-15N, {13C;} 20mM phosphate buffer {NA;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90%H2O,10%D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-13C; U-15N]' 'phosphate buffer NA' 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 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . 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 0.9321 loop_ _Vendor _Address _Electronic_address 'Kobayashi N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer 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 'WW 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 7 7 GLY HA2 H 3.971 0.030 1 2 7 7 GLY HA3 H 3.971 0.030 1 3 7 7 GLY C C 174.401 0.300 1 4 7 7 GLY CA C 45.584 0.300 1 5 8 8 LYS H H 8.108 0.030 1 6 8 8 LYS HA H 4.293 0.030 1 7 8 8 LYS HB2 H 1.766 0.030 1 8 8 8 LYS HB3 H 1.766 0.030 1 9 8 8 LYS HD2 H 1.649 0.030 1 10 8 8 LYS HD3 H 1.649 0.030 1 11 8 8 LYS HE2 H 2.963 0.030 1 12 8 8 LYS HE3 H 2.963 0.030 1 13 8 8 LYS HG2 H 1.405 0.030 1 14 8 8 LYS HG3 H 1.405 0.030 1 15 8 8 LYS C C 176.098 0.300 1 16 8 8 LYS CA C 56.464 0.300 1 17 8 8 LYS CB C 32.953 0.300 1 18 8 8 LYS CD C 29.023 0.300 1 19 8 8 LYS CE C 42.228 0.300 1 20 8 8 LYS CG C 24.928 0.300 1 21 8 8 LYS N N 120.823 0.300 1 22 9 9 ALA H H 8.120 0.030 1 23 9 9 ALA HA H 4.370 0.030 1 24 9 9 ALA HB H 1.394 0.030 1 25 9 9 ALA C C 176.918 0.300 1 26 9 9 ALA CA C 52.143 0.300 1 27 9 9 ALA CB C 19.414 0.300 1 28 9 9 ALA N N 123.701 0.300 1 29 10 10 LYS H H 8.144 0.030 1 30 10 10 LYS HA H 4.590 0.030 1 31 10 10 LYS HB2 H 1.816 0.030 2 32 10 10 LYS HB3 H 1.750 0.030 2 33 10 10 LYS HD2 H 1.708 0.030 1 34 10 10 LYS HD3 H 1.708 0.030 1 35 10 10 LYS HE2 H 3.012 0.030 1 36 10 10 LYS HE3 H 3.012 0.030 1 37 10 10 LYS HG2 H 1.492 0.030 2 38 10 10 LYS HG3 H 1.436 0.030 2 39 10 10 LYS C C 174.584 0.300 1 40 10 10 LYS CA C 54.153 0.300 1 41 10 10 LYS CB C 32.686 0.300 1 42 10 10 LYS CD C 29.119 0.300 1 43 10 10 LYS CE C 42.153 0.300 1 44 10 10 LYS CG C 24.607 0.300 1 45 10 10 LYS N N 121.383 0.300 1 46 11 11 PRO HA H 4.488 0.030 1 47 11 11 PRO HB2 H 1.775 0.030 2 48 11 11 PRO HB3 H 2.076 0.030 2 49 11 11 PRO HD2 H 3.921 0.030 2 50 11 11 PRO HD3 H 3.603 0.030 2 51 11 11 PRO HG2 H 2.027 0.030 2 52 11 11 PRO HG3 H 1.808 0.030 2 53 11 11 PRO C C 177.407 0.300 1 54 11 11 PRO CA C 63.217 0.300 1 55 11 11 PRO CB C 32.589 0.300 1 56 11 11 PRO CD C 50.896 0.300 1 57 11 11 PRO CG C 27.738 0.300 1 58 12 12 VAL H H 8.924 0.030 1 59 12 12 VAL HA H 4.320 0.030 1 60 12 12 VAL HB H 2.034 0.030 1 61 12 12 VAL HG1 H 0.850 0.030 1 62 12 12 VAL HG2 H 0.661 0.030 1 63 12 12 VAL C C 175.497 0.300 1 64 12 12 VAL CA C 61.783 0.300 1 65 12 12 VAL CB C 33.204 0.300 1 66 12 12 VAL CG1 C 21.141 0.300 2 67 12 12 VAL CG2 C 19.615 0.300 2 68 12 12 VAL N N 117.596 0.300 1 69 13 13 ALA H H 7.750 0.030 1 70 13 13 ALA HA H 4.552 0.030 1 71 13 13 ALA HB H 1.047 0.030 1 72 13 13 ALA C C 175.352 0.300 1 73 13 13 ALA CA C 52.181 0.300 1 74 13 13 ALA CB C 21.675 0.300 1 75 13 13 ALA N N 122.214 0.300 1 76 14 14 THR H H 8.409 0.030 1 77 14 14 THR HA H 5.659 0.030 1 78 14 14 THR HB H 4.028 0.030 1 79 14 14 THR HG2 H 1.147 0.030 1 80 14 14 THR C C 172.987 0.300 1 81 14 14 THR CA C 60.518 0.300 1 82 14 14 THR CB C 72.030 0.300 1 83 14 14 THR CG2 C 20.870 0.300 1 84 14 14 THR N N 113.431 0.300 1 85 15 15 ALA H H 9.383 0.030 1 86 15 15 ALA HA H 5.211 0.030 1 87 15 15 ALA HB H 1.605 0.030 1 88 15 15 ALA C C 173.876 0.300 1 89 15 15 ALA CA C 49.636 0.300 1 90 15 15 ALA CB C 21.879 0.300 1 91 15 15 ALA N N 126.793 0.300 1 92 16 16 PRO HA H 4.918 0.030 1 93 16 16 PRO HB2 H 1.917 0.030 2 94 16 16 PRO HB3 H 2.344 0.030 2 95 16 16 PRO HD2 H 3.857 0.030 1 96 16 16 PRO HD3 H 3.857 0.030 1 97 16 16 PRO HG2 H 2.120 0.030 2 98 16 16 PRO HG3 H 2.103 0.030 2 99 16 16 PRO C C 175.552 0.300 1 100 16 16 PRO CA C 62.657 0.300 1 101 16 16 PRO CB C 32.721 0.300 1 102 16 16 PRO CD C 50.910 0.300 1 103 16 16 PRO CG C 26.976 0.300 1 104 17 17 ILE H H 8.237 0.030 1 105 17 17 ILE HA H 4.622 0.030 1 106 17 17 ILE HB H 2.053 0.030 1 107 17 17 ILE HD1 H 0.901 0.030 1 108 17 17 ILE HG12 H 1.649 0.030 2 109 17 17 ILE HG13 H 1.110 0.030 2 110 17 17 ILE HG2 H 0.794 0.030 1 111 17 17 ILE C C 174.550 0.300 1 112 17 17 ILE CA C 57.914 0.300 1 113 17 17 ILE CB C 36.672 0.300 1 114 17 17 ILE CD1 C 14.187 0.300 1 115 17 17 ILE CG1 C 27.110 0.300 1 116 17 17 ILE CG2 C 18.161 0.300 1 117 17 17 ILE N N 121.404 0.300 1 118 18 18 PRO HA H 4.388 0.030 1 119 18 18 PRO HB2 H 2.387 0.030 1 120 18 18 PRO HB3 H 2.387 0.030 1 121 18 18 PRO HD2 H 3.621 0.030 2 122 18 18 PRO HD3 H 4.168 0.030 2 123 18 18 PRO HG2 H 2.149 0.030 2 124 18 18 PRO HG3 H 1.989 0.030 2 125 18 18 PRO CA C 64.193 0.300 1 126 18 18 PRO CB C 32.432 0.300 1 127 18 18 PRO CD C 51.744 0.300 1 128 18 18 PRO CG C 27.665 0.300 1 129 19 19 GLY H H 8.925 0.030 1 130 19 19 GLY HA2 H 3.789 0.030 2 131 19 19 GLY HA3 H 4.260 0.030 2 132 19 19 GLY C C 173.731 0.300 1 133 19 19 GLY CA C 45.350 0.300 1 134 19 19 GLY N N 110.477 0.300 1 135 20 20 THR H H 7.992 0.030 1 136 20 20 THR HA H 5.248 0.030 1 137 20 20 THR HB H 4.585 0.030 1 138 20 20 THR HG2 H 1.151 0.030 1 139 20 20 THR C C 173.331 0.300 1 140 20 20 THR CA C 59.178 0.300 1 141 20 20 THR CB C 70.727 0.300 1 142 20 20 THR CG2 C 21.553 0.300 1 143 20 20 THR N N 111.806 0.300 1 144 21 21 PRO HA H 4.704 0.030 1 145 21 21 PRO HB2 H 1.970 0.030 2 146 21 21 PRO HB3 H 1.849 0.030 2 147 21 21 PRO HD2 H 3.963 0.030 2 148 21 21 PRO HD3 H 3.757 0.030 2 149 21 21 PRO HG2 H 1.886 0.030 2 150 21 21 PRO HG3 H 1.278 0.030 2 151 21 21 PRO C C 175.523 0.300 1 152 21 21 PRO CA C 62.643 0.300 1 153 21 21 PRO CB C 31.318 0.300 1 154 21 21 PRO CD C 50.569 0.300 1 155 21 21 PRO CG C 26.422 0.300 1 156 22 22 TRP H H 8.020 0.030 1 157 22 22 TRP HA H 4.838 0.030 1 158 22 22 TRP HB2 H 3.160 0.030 2 159 22 22 TRP HB3 H 3.109 0.030 2 160 22 22 TRP HD1 H 7.061 0.030 1 161 22 22 TRP HE1 H 10.972 0.030 1 162 22 22 TRP HE3 H 7.500 0.030 1 163 22 22 TRP HH2 H 7.052 0.030 1 164 22 22 TRP HZ2 H 7.589 0.030 1 165 22 22 TRP HZ3 H 6.911 0.030 1 166 22 22 TRP C C 176.327 0.300 1 167 22 22 TRP CA C 57.604 0.300 1 168 22 22 TRP CB C 33.700 0.300 1 169 22 22 TRP CD1 C 126.801 0.300 1 170 22 22 TRP CE3 C 120.387 0.300 1 171 22 22 TRP CH2 C 124.980 0.300 1 172 22 22 TRP CZ2 C 114.858 0.300 1 173 22 22 TRP CZ3 C 122.465 0.300 1 174 22 22 TRP N N 117.320 0.300 1 175 22 22 TRP NE1 N 131.064 0.300 1 176 23 23 CYS H H 9.561 0.030 1 177 23 23 CYS HA H 5.268 0.030 1 178 23 23 CYS HB2 H 2.889 0.030 2 179 23 23 CYS HB3 H 2.797 0.030 2 180 23 23 CYS C C 173.505 0.300 1 181 23 23 CYS CA C 56.702 0.300 1 182 23 23 CYS CB C 31.388 0.300 1 183 23 23 CYS N N 117.829 0.300 1 184 24 24 VAL H H 8.990 0.030 1 185 24 24 VAL HA H 3.907 0.030 1 186 24 24 VAL HB H 1.449 0.030 1 187 24 24 VAL HG1 H 0.642 0.030 1 188 24 24 VAL HG2 H -0.379 0.030 1 189 24 24 VAL C C 174.059 0.300 1 190 24 24 VAL CA C 61.737 0.300 1 191 24 24 VAL CB C 32.704 0.300 1 192 24 24 VAL CG1 C 21.967 0.300 2 193 24 24 VAL CG2 C 21.566 0.300 2 194 24 24 VAL N N 122.692 0.300 1 195 25 25 VAL H H 8.267 0.030 1 196 25 25 VAL HA H 4.408 0.030 1 197 25 25 VAL HB H -0.100 0.030 1 198 25 25 VAL HG1 H 0.487 0.030 1 199 25 25 VAL HG2 H 0.300 0.030 1 200 25 25 VAL C C 173.538 0.300 1 201 25 25 VAL CA C 60.806 0.300 1 202 25 25 VAL CB C 33.142 0.300 1 203 25 25 VAL CG1 C 22.803 0.300 2 204 25 25 VAL CG2 C 21.439 0.300 2 205 25 25 VAL N N 127.198 0.300 1 206 26 26 TRP H H 8.405 0.030 1 207 26 26 TRP HA H 5.339 0.030 1 208 26 26 TRP HB2 H 2.882 0.030 2 209 26 26 TRP HB3 H 3.259 0.030 2 210 26 26 TRP HD1 H 7.218 0.030 1 211 26 26 TRP HE1 H 10.349 0.030 1 212 26 26 TRP HE3 H 7.349 0.030 1 213 26 26 TRP HH2 H 6.918 0.030 1 214 26 26 TRP HZ2 H 7.717 0.030 1 215 26 26 TRP HZ3 H 6.740 0.030 1 216 26 26 TRP C C 177.585 0.300 1 217 26 26 TRP CA C 57.820 0.300 1 218 26 26 TRP CB C 32.422 0.300 1 219 26 26 TRP CD1 C 127.376 0.300 1 220 26 26 TRP CE3 C 121.576 0.300 1 221 26 26 TRP CH2 C 123.898 0.300 1 222 26 26 TRP CZ2 C 114.888 0.300 1 223 26 26 TRP CZ3 C 121.266 0.300 1 224 26 26 TRP N N 124.209 0.300 1 225 26 26 TRP NE1 N 129.267 0.300 1 226 27 27 THR H H 8.978 0.030 1 227 27 27 THR HA H 4.991 0.030 1 228 27 27 THR HB H 4.665 0.030 1 229 27 27 THR HG2 H 1.361 0.030 1 230 27 27 THR C C 177.367 0.300 1 231 27 27 THR CA C 60.583 0.300 1 232 27 27 THR CB C 71.085 0.300 1 233 27 27 THR CG2 C 22.584 0.300 1 234 27 27 THR N N 112.271 0.300 1 235 28 28 GLY H H 9.008 0.030 1 236 28 28 GLY HA2 H 4.080 0.030 1 237 28 28 GLY HA3 H 4.080 0.030 1 238 28 28 GLY C C 174.047 0.300 1 239 28 28 GLY CA C 46.936 0.300 1 240 28 28 GLY N N 109.202 0.300 1 241 29 29 ASP H H 8.186 0.030 1 242 29 29 ASP HA H 4.832 0.030 1 243 29 29 ASP HB2 H 2.571 0.030 2 244 29 29 ASP HB3 H 2.991 0.030 2 245 29 29 ASP C C 174.819 0.300 1 246 29 29 ASP CA C 52.815 0.300 1 247 29 29 ASP CB C 39.412 0.300 1 248 29 29 ASP N N 117.763 0.300 1 249 30 30 GLU H H 8.049 0.030 1 250 30 30 GLU HA H 4.151 0.030 1 251 30 30 GLU HB2 H 2.350 0.030 1 252 30 30 GLU HB3 H 2.350 0.030 1 253 30 30 GLU HG2 H 2.270 0.030 2 254 30 30 GLU HG3 H 2.221 0.030 2 255 30 30 GLU C C 175.744 0.300 1 256 30 30 GLU CA C 57.826 0.300 1 257 30 30 GLU CB C 26.616 0.300 1 258 30 30 GLU CG C 36.690 0.300 1 259 30 30 GLU N N 112.142 0.300 1 260 31 31 ARG H H 7.766 0.030 1 261 31 31 ARG HA H 4.777 0.030 1 262 31 31 ARG HB2 H 2.108 0.030 1 263 31 31 ARG HB3 H 2.108 0.030 1 264 31 31 ARG HD2 H 3.137 0.030 2 265 31 31 ARG HD3 H 3.079 0.030 2 266 31 31 ARG HG2 H 1.655 0.030 1 267 31 31 ARG HG3 H 1.655 0.030 1 268 31 31 ARG C C 175.136 0.300 1 269 31 31 ARG CA C 55.375 0.300 1 270 31 31 ARG CB C 32.870 0.300 1 271 31 31 ARG CD C 43.738 0.300 1 272 31 31 ARG CG C 27.385 0.300 1 273 31 31 ARG N N 118.455 0.300 1 274 32 32 VAL H H 8.078 0.030 1 275 32 32 VAL HA H 5.070 0.030 1 276 32 32 VAL HB H 1.423 0.030 1 277 32 32 VAL HG1 H 0.320 0.030 1 278 32 32 VAL HG2 H 0.151 0.030 1 279 32 32 VAL C C 174.675 0.300 1 280 32 32 VAL CA C 59.615 0.300 1 281 32 32 VAL CB C 35.045 0.300 1 282 32 32 VAL CG1 C 20.685 0.300 2 283 32 32 VAL CG2 C 20.535 0.300 2 284 32 32 VAL N N 118.552 0.300 1 285 33 33 PHE H H 8.500 0.030 1 286 33 33 PHE HA H 4.460 0.030 1 287 33 33 PHE HB2 H 1.959 0.030 2 288 33 33 PHE HB3 H 2.331 0.030 2 289 33 33 PHE HD1 H 6.621 0.030 1 290 33 33 PHE HD2 H 6.621 0.030 1 291 33 33 PHE HE1 H 6.844 0.030 1 292 33 33 PHE HE2 H 6.844 0.030 1 293 33 33 PHE C C 170.711 0.300 1 294 33 33 PHE CA C 55.094 0.300 1 295 33 33 PHE CB C 39.218 0.300 1 296 33 33 PHE CD1 C 132.590 0.300 1 297 33 33 PHE CD2 C 132.590 0.300 1 298 33 33 PHE CE1 C 130.220 0.300 1 299 33 33 PHE CE2 C 130.220 0.300 1 300 33 33 PHE N N 120.480 0.300 1 301 34 34 PHE H H 8.729 0.030 1 302 34 34 PHE HA H 5.207 0.030 1 303 34 34 PHE HB2 H 2.772 0.030 2 304 34 34 PHE HB3 H 2.659 0.030 2 305 34 34 PHE HD1 H 6.840 0.030 1 306 34 34 PHE HD2 H 6.840 0.030 1 307 34 34 PHE HE1 H 6.932 0.030 1 308 34 34 PHE HE2 H 6.932 0.030 1 309 34 34 PHE HZ H 6.940 0.030 1 310 34 34 PHE C C 174.773 0.300 1 311 34 34 PHE CA C 56.629 0.300 1 312 34 34 PHE CB C 41.433 0.300 1 313 34 34 PHE CD1 C 132.522 0.300 1 314 34 34 PHE CD2 C 132.522 0.300 1 315 34 34 PHE CE1 C 130.191 0.300 1 316 34 34 PHE CE2 C 130.191 0.300 1 317 34 34 PHE CZ C 128.779 0.300 1 318 34 34 PHE N N 116.640 0.300 1 319 35 35 TYR H H 9.409 0.030 1 320 35 35 TYR HA H 5.862 0.030 1 321 35 35 TYR HB2 H 2.939 0.030 2 322 35 35 TYR HB3 H 2.470 0.030 2 323 35 35 TYR HD1 H 7.033 0.030 1 324 35 35 TYR HD2 H 7.033 0.030 1 325 35 35 TYR HE1 H 6.609 0.030 1 326 35 35 TYR HE2 H 6.609 0.030 1 327 35 35 TYR C C 172.967 0.300 1 328 35 35 TYR CA C 55.837 0.300 1 329 35 35 TYR CB C 44.246 0.300 1 330 35 35 TYR CD1 C 133.107 0.300 1 331 35 35 TYR CD2 C 133.107 0.300 1 332 35 35 TYR CE1 C 117.773 0.300 1 333 35 35 TYR CE2 C 117.773 0.300 1 334 35 35 TYR N N 123.905 0.300 1 335 36 36 ASN H H 8.072 0.030 1 336 36 36 ASN HA H 4.988 0.030 1 337 36 36 ASN HB2 H 2.414 0.030 2 338 36 36 ASN HB3 H 0.268 0.030 2 339 36 36 ASN HD21 H 6.472 0.030 2 340 36 36 ASN HD22 H 5.007 0.030 2 341 36 36 ASN C C 173.527 0.300 1 342 36 36 ASN CA C 48.131 0.300 1 343 36 36 ASN CB C 38.071 0.300 1 344 36 36 ASN N N 128.491 0.300 1 345 36 36 ASN ND2 N 109.735 0.300 1 346 37 37 PRO HA H 3.821 0.030 1 347 37 37 PRO HB2 H 2.368 0.030 2 348 37 37 PRO HB3 H 1.938 0.030 2 349 37 37 PRO HD2 H 4.025 0.030 2 350 37 37 PRO HD3 H 3.610 0.030 2 351 37 37 PRO HG2 H 1.996 0.030 2 352 37 37 PRO HG3 H 1.929 0.030 2 353 37 37 PRO C C 177.550 0.300 1 354 37 37 PRO CA C 63.895 0.300 1 355 37 37 PRO CB C 32.395 0.300 1 356 37 37 PRO CD C 50.985 0.300 1 357 37 37 PRO CG C 26.992 0.300 1 358 38 38 THR H H 8.153 0.030 1 359 38 38 THR HA H 3.979 0.030 1 360 38 38 THR HB H 4.270 0.030 1 361 38 38 THR HG2 H 1.140 0.030 1 362 38 38 THR C C 175.753 0.300 1 363 38 38 THR CA C 65.925 0.300 1 364 38 38 THR CB C 68.203 0.300 1 365 38 38 THR CG2 C 21.550 0.300 1 366 38 38 THR N N 113.794 0.300 1 367 39 39 THR H H 6.910 0.030 1 368 39 39 THR HA H 4.140 0.030 1 369 39 39 THR HB H 4.231 0.030 1 370 39 39 THR HG2 H 0.998 0.030 1 371 39 39 THR C C 174.940 0.300 1 372 39 39 THR CA C 61.369 0.300 1 373 39 39 THR CB C 69.384 0.300 1 374 39 39 THR CG2 C 21.858 0.300 1 375 39 39 THR N N 109.876 0.300 1 376 40 40 ARG H H 8.276 0.030 1 377 40 40 ARG HA H 3.601 0.030 1 378 40 40 ARG HB2 H 2.161 0.030 2 379 40 40 ARG HB3 H 2.110 0.030 2 380 40 40 ARG HD2 H 3.209 0.030 1 381 40 40 ARG HD3 H 3.209 0.030 1 382 40 40 ARG HG2 H 1.531 0.030 2 383 40 40 ARG HG3 H 1.478 0.030 2 384 40 40 ARG C C 174.733 0.300 1 385 40 40 ARG CA C 57.712 0.300 1 386 40 40 ARG CB C 26.359 0.300 1 387 40 40 ARG CD C 43.663 0.300 1 388 40 40 ARG CG C 27.852 0.300 1 389 40 40 ARG N N 117.159 0.300 1 390 41 41 LEU H H 7.110 0.030 1 391 41 41 LEU HA H 4.652 0.030 1 392 41 41 LEU HB2 H 1.555 0.030 2 393 41 41 LEU HB3 H 1.512 0.030 2 394 41 41 LEU HD1 H 1.040 0.030 1 395 41 41 LEU HD2 H 1.035 0.030 1 396 41 41 LEU HG H 1.599 0.030 1 397 41 41 LEU C C 175.259 0.300 1 398 41 41 LEU CA C 54.855 0.300 1 399 41 41 LEU CB C 44.321 0.300 1 400 41 41 LEU CD1 C 24.939 0.300 2 401 41 41 LEU CD2 C 24.295 0.300 2 402 41 41 LEU CG C 27.067 0.300 1 403 41 41 LEU N N 121.057 0.300 1 404 42 42 SER H H 8.379 0.030 1 405 42 42 SER HA H 5.969 0.030 1 406 42 42 SER HB2 H 3.709 0.030 2 407 42 42 SER HB3 H 3.650 0.030 2 408 42 42 SER C C 173.841 0.300 1 409 42 42 SER CA C 56.879 0.300 1 410 42 42 SER CB C 65.942 0.300 1 411 42 42 SER N N 117.489 0.300 1 412 43 43 MET H H 9.587 0.030 1 413 43 43 MET HA H 4.830 0.030 1 414 43 43 MET HB2 H 1.980 0.030 2 415 43 43 MET HB3 H 2.511 0.030 2 416 43 43 MET HE H 2.036 0.030 1 417 43 43 MET HG2 H 2.750 0.030 2 418 43 43 MET HG3 H 2.552 0.030 2 419 43 43 MET C C 174.665 0.300 1 420 43 43 MET CA C 55.341 0.300 1 421 43 43 MET CB C 37.037 0.300 1 422 43 43 MET CE C 16.519 0.300 1 423 43 43 MET CG C 31.300 0.300 1 424 43 43 MET N N 120.993 0.300 1 425 44 44 TRP H H 8.756 0.030 1 426 44 44 TRP HA H 4.699 0.030 1 427 44 44 TRP HB2 H 3.583 0.030 2 428 44 44 TRP HB3 H 3.080 0.030 2 429 44 44 TRP HD1 H 7.318 0.030 1 430 44 44 TRP HE1 H 9.872 0.030 1 431 44 44 TRP HE3 H 7.912 0.030 1 432 44 44 TRP HH2 H 6.949 0.030 1 433 44 44 TRP HZ2 H 7.106 0.030 1 434 44 44 TRP HZ3 H 6.931 0.030 1 435 44 44 TRP C C 176.775 0.300 1 436 44 44 TRP CA C 59.168 0.300 1 437 44 44 TRP CB C 30.002 0.300 1 438 44 44 TRP CD1 C 127.384 0.300 1 439 44 44 TRP CE3 C 121.473 0.300 1 440 44 44 TRP CH2 C 124.110 0.300 1 441 44 44 TRP CZ2 C 114.245 0.300 1 442 44 44 TRP CZ3 C 122.225 0.300 1 443 44 44 TRP N N 122.459 0.300 1 444 44 44 TRP NE1 N 128.524 0.300 1 445 45 45 ASP H H 7.665 0.030 1 446 45 45 ASP HA H 4.817 0.030 1 447 45 45 ASP HB2 H 2.380 0.030 2 448 45 45 ASP HB3 H 2.642 0.030 2 449 45 45 ASP C C 173.747 0.300 1 450 45 45 ASP CA C 52.866 0.300 1 451 45 45 ASP CB C 42.301 0.300 1 452 45 45 ASP N N 118.147 0.300 1 453 46 46 ARG H H 8.079 0.030 1 454 46 46 ARG HA H 3.078 0.030 1 455 46 46 ARG HB2 H 1.502 0.030 2 456 46 46 ARG HB3 H 1.310 0.030 2 457 46 46 ARG HD2 H 2.781 0.030 2 458 46 46 ARG HD3 H 2.616 0.030 2 459 46 46 ARG HG2 H 0.872 0.030 2 460 46 46 ARG HG3 H 1.228 0.030 2 461 46 46 ARG C C 174.404 0.300 1 462 46 46 ARG CA C 53.906 0.300 1 463 46 46 ARG CB C 30.075 0.300 1 464 46 46 ARG CD C 43.156 0.300 1 465 46 46 ARG CG C 26.500 0.300 1 466 46 46 ARG N N 118.654 0.300 1 467 47 47 PRO HA H 3.968 0.030 1 468 47 47 PRO HB2 H 1.010 0.030 2 469 47 47 PRO HB3 H 1.790 0.030 2 470 47 47 PRO HD2 H 2.866 0.030 2 471 47 47 PRO HD3 H 1.799 0.030 2 472 47 47 PRO HG2 H 0.290 0.030 2 473 47 47 PRO HG3 H -0.340 0.030 2 474 47 47 PRO C C 177.429 0.300 1 475 47 47 PRO CA C 62.310 0.300 1 476 47 47 PRO CB C 32.620 0.300 1 477 47 47 PRO CD C 50.527 0.300 1 478 47 47 PRO CG C 25.216 0.300 1 479 48 48 ASP H H 8.577 0.030 1 480 48 48 ASP HA H 4.140 0.030 1 481 48 48 ASP HB2 H 2.599 0.030 1 482 48 48 ASP HB3 H 2.599 0.030 1 483 48 48 ASP C C 178.187 0.300 1 484 48 48 ASP CA C 57.476 0.300 1 485 48 48 ASP CB C 40.535 0.300 1 486 48 48 ASP N N 122.843 0.300 1 487 49 49 ASP H H 8.882 0.030 1 488 49 49 ASP HA H 4.410 0.030 1 489 49 49 ASP HB2 H 2.491 0.030 2 490 49 49 ASP HB3 H 2.761 0.030 2 491 49 49 ASP C C 176.431 0.300 1 492 49 49 ASP CA C 55.505 0.300 1 493 49 49 ASP CB C 39.858 0.300 1 494 49 49 ASP N N 114.209 0.300 1 495 50 50 LEU H H 7.770 0.030 1 496 50 50 LEU HA H 4.362 0.030 1 497 50 50 LEU HB2 H 1.177 0.030 2 498 50 50 LEU HB3 H 1.432 0.030 2 499 50 50 LEU HD1 H 0.305 0.030 1 500 50 50 LEU HD2 H 0.779 0.030 1 501 50 50 LEU HG H 0.989 0.030 1 502 50 50 LEU C C 177.555 0.300 1 503 50 50 LEU CA C 53.256 0.300 1 504 50 50 LEU CB C 42.109 0.300 1 505 50 50 LEU CD1 C 25.794 0.300 2 506 50 50 LEU CD2 C 22.804 0.300 2 507 50 50 LEU CG C 26.932 0.300 1 508 50 50 LEU N N 114.479 0.300 1 509 51 51 ILE H H 7.249 0.030 1 510 51 51 ILE HA H 3.606 0.030 1 511 51 51 ILE HB H 1.810 0.030 1 512 51 51 ILE HD1 H 0.819 0.030 1 513 51 51 ILE HG12 H 1.582 0.030 2 514 51 51 ILE HG13 H 1.018 0.030 2 515 51 51 ILE HG2 H 0.843 0.030 1 516 51 51 ILE C C 177.202 0.300 1 517 51 51 ILE CA C 63.606 0.300 1 518 51 51 ILE CB C 37.496 0.300 1 519 51 51 ILE CD1 C 12.743 0.300 1 520 51 51 ILE CG1 C 28.297 0.300 1 521 51 51 ILE CG2 C 16.677 0.300 1 522 51 51 ILE N N 125.073 0.300 1 523 52 52 GLY H H 9.098 0.030 1 524 52 52 GLY HA2 H 4.079 0.030 2 525 52 52 GLY HA3 H 3.769 0.030 2 526 52 52 GLY C C 174.558 0.300 1 527 52 52 GLY CA C 45.323 0.300 1 528 52 52 GLY N N 115.358 0.300 1 529 53 53 ARG H H 6.999 0.030 1 530 53 53 ARG HA H 4.413 0.030 1 531 53 53 ARG HB2 H 2.291 0.030 2 532 53 53 ARG HB3 H 1.770 0.030 2 533 53 53 ARG HD2 H 3.369 0.030 2 534 53 53 ARG HD3 H 3.130 0.030 2 535 53 53 ARG HE H 8.904 0.030 1 536 53 53 ARG HG2 H 1.550 0.030 1 537 53 53 ARG HG3 H 1.550 0.030 1 538 53 53 ARG C C 176.432 0.300 1 539 53 53 ARG CA C 54.986 0.300 1 540 53 53 ARG CB C 29.997 0.300 1 541 53 53 ARG CD C 42.815 0.300 1 542 53 53 ARG CG C 27.951 0.300 1 543 53 53 ARG N N 118.720 0.300 1 544 53 53 ARG NE N 83.564 0.300 1 545 54 54 ALA H H 8.925 0.030 1 546 54 54 ALA HA H 4.289 0.030 1 547 54 54 ALA HB H 1.510 0.030 1 548 54 54 ALA C C 179.322 0.300 1 549 54 54 ALA CA C 54.399 0.300 1 550 54 54 ALA CB C 18.667 0.300 1 551 54 54 ALA N N 130.621 0.300 1 552 55 55 ASP H H 9.123 0.030 1 553 55 55 ASP HA H 4.330 0.030 1 554 55 55 ASP HB2 H 2.843 0.030 2 555 55 55 ASP HB3 H 2.710 0.030 2 556 55 55 ASP C C 178.632 0.300 1 557 55 55 ASP CA C 55.934 0.300 1 558 55 55 ASP CB C 38.135 0.300 1 559 55 55 ASP N N 116.306 0.300 1 560 56 56 VAL H H 7.437 0.030 1 561 56 56 VAL HA H 3.586 0.030 1 562 56 56 VAL HB H 2.251 0.030 1 563 56 56 VAL HG1 H 1.090 0.030 1 564 56 56 VAL HG2 H 0.929 0.030 1 565 56 56 VAL C C 176.560 0.300 1 566 56 56 VAL CA C 66.217 0.300 1 567 56 56 VAL CB C 31.835 0.300 1 568 56 56 VAL CG1 C 24.567 0.300 2 569 56 56 VAL CG2 C 21.613 0.300 2 570 56 56 VAL N N 122.362 0.300 1 571 57 57 ASP H H 7.622 0.030 1 572 57 57 ASP HA H 4.250 0.030 1 573 57 57 ASP HB2 H 2.859 0.030 2 574 57 57 ASP HB3 H 2.679 0.030 2 575 57 57 ASP C C 178.218 0.300 1 576 57 57 ASP CA C 57.865 0.300 1 577 57 57 ASP CB C 40.086 0.300 1 578 57 57 ASP N N 118.089 0.300 1 579 58 58 LYS H H 7.524 0.030 1 580 58 58 LYS HA H 4.059 0.030 1 581 58 58 LYS HB2 H 1.956 0.030 2 582 58 58 LYS HB3 H 1.915 0.030 2 583 58 58 LYS HD2 H 1.702 0.030 1 584 58 58 LYS HD3 H 1.702 0.030 1 585 58 58 LYS HE2 H 3.008 0.030 1 586 58 58 LYS HE3 H 3.008 0.030 1 587 58 58 LYS HG2 H 1.536 0.030 2 588 58 58 LYS HG3 H 1.458 0.030 2 589 58 58 LYS C C 178.149 0.300 1 590 58 58 LYS CA C 59.202 0.300 1 591 58 58 LYS CB C 32.457 0.300 1 592 58 58 LYS CD C 29.228 0.300 1 593 58 58 LYS CE C 42.228 0.300 1 594 58 58 LYS CG C 24.848 0.300 1 595 58 58 LYS N N 117.933 0.300 1 596 59 59 ILE H H 7.666 0.030 1 597 59 59 ILE HA H 3.887 0.030 1 598 59 59 ILE HB H 2.001 0.030 1 599 59 59 ILE HD1 H 1.005 0.030 1 600 59 59 ILE HG12 H 1.930 0.030 2 601 59 59 ILE HG13 H 1.277 0.030 2 602 59 59 ILE HG2 H 1.067 0.030 1 603 59 59 ILE C C 177.931 0.300 1 604 59 59 ILE CA C 64.929 0.300 1 605 59 59 ILE CB C 38.815 0.300 1 606 59 59 ILE CD1 C 14.487 0.300 1 607 59 59 ILE CG1 C 29.942 0.300 1 608 59 59 ILE CG2 C 17.986 0.300 1 609 59 59 ILE N N 119.541 0.300 1 610 60 60 ILE H H 7.803 0.030 1 611 60 60 ILE HA H 3.970 0.030 1 612 60 60 ILE HB H 1.960 0.030 1 613 60 60 ILE HD1 H 0.868 0.030 1 614 60 60 ILE HG12 H 1.759 0.030 2 615 60 60 ILE HG13 H 0.969 0.030 2 616 60 60 ILE HG2 H 0.960 0.030 1 617 60 60 ILE C C 177.562 0.300 1 618 60 60 ILE CA C 64.929 0.300 1 619 60 60 ILE CB C 38.475 0.300 1 620 60 60 ILE CD1 C 14.125 0.300 1 621 60 60 ILE CG1 C 29.669 0.300 1 622 60 60 ILE CG2 C 17.525 0.300 1 623 60 60 ILE N N 116.149 0.300 1 624 61 61 GLN H H 7.768 0.030 1 625 61 61 GLN HA H 4.239 0.030 1 626 61 61 GLN HB2 H 2.271 0.030 2 627 61 61 GLN HB3 H 2.243 0.030 2 628 61 61 GLN HE21 H 6.859 0.030 2 629 61 61 GLN HE22 H 7.510 0.030 2 630 61 61 GLN HG2 H 2.620 0.030 2 631 61 61 GLN HG3 H 2.560 0.030 2 632 61 61 GLN C C 176.008 0.300 1 633 61 61 GLN CA C 57.306 0.300 1 634 61 61 GLN CB C 29.401 0.300 1 635 61 61 GLN CG C 34.259 0.300 1 636 61 61 GLN N N 116.729 0.300 1 637 61 61 GLN NE2 N 111.430 0.300 1 638 62 62 GLU H H 7.703 0.030 1 639 62 62 GLU HA H 4.709 0.030 1 640 62 62 GLU HB2 H 1.930 0.030 1 641 62 62 GLU HB3 H 1.930 0.030 1 642 62 62 GLU HG2 H 2.270 0.030 2 643 62 62 GLU HG3 H 2.140 0.030 2 644 62 62 GLU C C 171.799 0.300 1 645 62 62 GLU CA C 53.232 0.300 1 646 62 62 GLU CB C 29.985 0.300 1 647 62 62 GLU CG C 35.936 0.300 1 648 62 62 GLU N N 119.199 0.300 1 649 63 63 PRO HA H 4.115 0.030 1 650 63 63 PRO HB2 H 1.170 0.030 2 651 63 63 PRO HB3 H 1.012 0.030 2 652 63 63 PRO HD2 H 3.521 0.030 2 653 63 63 PRO HD3 H 3.340 0.030 2 654 63 63 PRO HG2 H 1.639 0.030 2 655 63 63 PRO HG3 H 1.888 0.030 2 656 63 63 PRO CA C 61.003 0.300 1 657 63 63 PRO CB C 30.830 0.300 1 658 63 63 PRO CD C 50.063 0.300 1 659 63 63 PRO CG C 27.547 0.300 1 660 64 64 PRO HA H 4.152 0.030 1 661 64 64 PRO HB2 H 1.918 0.030 2 662 64 64 PRO HB3 H 2.249 0.030 2 663 64 64 PRO HD2 H 3.441 0.030 2 664 64 64 PRO HD3 H 2.846 0.030 2 665 64 64 PRO HG2 H 1.930 0.030 2 666 64 64 PRO HG3 H 1.909 0.030 2 667 64 64 PRO C C 177.475 0.300 1 668 64 64 PRO CA C 64.317 0.300 1 669 64 64 PRO CB C 31.912 0.300 1 670 64 64 PRO CD C 50.717 0.300 1 671 64 64 PRO CG C 27.223 0.300 1 672 65 65 HIS H H 8.393 0.030 1 673 65 65 HIS HA H 4.541 0.030 1 674 65 65 HIS HB2 H 2.791 0.030 2 675 65 65 HIS HB3 H 3.119 0.030 2 676 65 65 HIS HD2 H 6.771 0.030 1 677 65 65 HIS HE1 H 6.420 0.030 1 678 65 65 HIS C C 175.557 0.300 1 679 65 65 HIS CA C 56.545 0.300 1 680 65 65 HIS CB C 29.731 0.300 1 681 65 65 HIS CD2 C 117.843 0.300 1 682 65 65 HIS CE1 C 137.915 0.300 1 683 65 65 HIS N N 115.252 0.300 1 684 66 66 LYS H H 7.121 0.030 1 685 66 66 LYS HA H 4.213 0.030 1 686 66 66 LYS HB2 H 1.320 0.030 2 687 66 66 LYS HB3 H 1.736 0.030 2 688 66 66 LYS HD2 H 1.433 0.030 1 689 66 66 LYS HD3 H 1.433 0.030 1 690 66 66 LYS HE2 H 2.802 0.030 1 691 66 66 LYS HE3 H 2.802 0.030 1 692 66 66 LYS HG2 H 0.788 0.030 2 693 66 66 LYS HG3 H 0.741 0.030 2 694 66 66 LYS C C 175.906 0.300 1 695 66 66 LYS CA C 55.360 0.300 1 696 66 66 LYS CB C 32.676 0.300 1 697 66 66 LYS CD C 28.779 0.300 1 698 66 66 LYS CE C 41.864 0.300 1 699 66 66 LYS CG C 24.171 0.300 1 700 66 66 LYS N N 120.755 0.300 1 701 67 67 LYS H H 7.775 0.030 1 702 67 67 LYS HA H 4.282 0.030 1 703 67 67 LYS HB2 H 1.812 0.030 2 704 67 67 LYS HB3 H 1.720 0.030 2 705 67 67 LYS HD2 H 1.677 0.030 1 706 67 67 LYS HD3 H 1.677 0.030 1 707 67 67 LYS HE2 H 2.972 0.030 1 708 67 67 LYS HE3 H 2.972 0.030 1 709 67 67 LYS HG2 H 1.424 0.030 1 710 67 67 LYS HG3 H 1.424 0.030 1 711 67 67 LYS C C 176.527 0.300 1 712 67 67 LYS CA C 56.395 0.300 1 713 67 67 LYS CB C 33.061 0.300 1 714 67 67 LYS CD C 29.125 0.300 1 715 67 67 LYS CE C 42.138 0.300 1 716 67 67 LYS CG C 24.724 0.300 1 717 67 67 LYS N N 121.714 0.300 1 718 68 68 SER H H 8.330 0.030 1 719 68 68 SER HA H 4.494 0.030 1 720 68 68 SER HB2 H 3.868 0.030 1 721 68 68 SER HB3 H 3.868 0.030 1 722 68 68 SER C C 174.511 0.300 1 723 68 68 SER CA C 58.254 0.300 1 724 68 68 SER CB C 64.067 0.300 1 725 68 68 SER N N 117.323 0.300 1 726 69 69 GLY H H 8.241 0.030 1 727 69 69 GLY HA2 H 4.156 0.030 2 728 69 69 GLY HA3 H 4.099 0.030 2 729 69 69 GLY C C 174.490 0.300 1 730 69 69 GLY CA C 44.700 0.300 1 731 69 69 GLY N N 110.726 0.300 1 732 70 70 PRO HA H 4.486 0.030 1 733 70 70 PRO HB2 H 1.982 0.030 2 734 70 70 PRO HB3 H 2.302 0.030 2 735 70 70 PRO HD2 H 3.629 0.030 1 736 70 70 PRO HD3 H 3.629 0.030 1 737 70 70 PRO HG2 H 2.019 0.030 1 738 70 70 PRO HG3 H 2.019 0.030 1 739 70 70 PRO C C 177.430 0.300 1 740 70 70 PRO CA C 63.304 0.300 1 741 70 70 PRO CB C 32.232 0.300 1 742 70 70 PRO CD C 49.803 0.300 1 743 70 70 PRO CG C 27.157 0.300 1 744 71 71 SER H H 8.522 0.030 1 745 71 71 SER C C 174.633 0.300 1 746 71 71 SER N N 116.375 0.300 1 stop_ save_