data_11098 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the sixth fibronectin type III domain of human Netrin receptor DCC ; _BMRB_accession_number 11098 _BMRB_flat_file_name bmr11098.str _Entry_type original _Submission_date 2010-02-19 _Accession_date 2010-02-22 _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 Tochio N. . . 2 Koshiba S. . . 3 Tomizawa T. . . 4 Yoneyama M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 648 "13C chemical shifts" 501 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-02-17 original author . stop_ _Original_release_date 2011-02-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the sixth fibronectin type III domain of human Netrin receptor DCC ; _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 Tochio N. . . 2 Koshiba S. . . 3 Tomizawa T. . . 4 Yoneyama M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Netrin receptor DCC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'sixth fn3 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 'sixth fn3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; GSSGSSGPTSAPKDLTVITR EGKPRAVIVSWQPPLEANGK ITAYILFYTLDKNIPIDDWI METISGDRLTHQIMDLNLDT MYYFRIQARNSKGVGPLSDP ILFRTLKVSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 THR 10 SER 11 ALA 12 PRO 13 LYS 14 ASP 15 LEU 16 THR 17 VAL 18 ILE 19 THR 20 ARG 21 GLU 22 GLY 23 LYS 24 PRO 25 ARG 26 ALA 27 VAL 28 ILE 29 VAL 30 SER 31 TRP 32 GLN 33 PRO 34 PRO 35 LEU 36 GLU 37 ALA 38 ASN 39 GLY 40 LYS 41 ILE 42 THR 43 ALA 44 TYR 45 ILE 46 LEU 47 PHE 48 TYR 49 THR 50 LEU 51 ASP 52 LYS 53 ASN 54 ILE 55 PRO 56 ILE 57 ASP 58 ASP 59 TRP 60 ILE 61 MET 62 GLU 63 THR 64 ILE 65 SER 66 GLY 67 ASP 68 ARG 69 LEU 70 THR 71 HIS 72 GLN 73 ILE 74 MET 75 ASP 76 LEU 77 ASN 78 LEU 79 ASP 80 THR 81 MET 82 TYR 83 TYR 84 PHE 85 ARG 86 ILE 87 GLN 88 ALA 89 ARG 90 ASN 91 SER 92 LYS 93 GLY 94 VAL 95 GLY 96 PRO 97 LEU 98 SER 99 ASP 100 PRO 101 ILE 102 LEU 103 PHE 104 ARG 105 THR 106 LEU 107 LYS 108 VAL 109 SER 110 GLY 111 PRO 112 SER 113 SER 114 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2EDE "Solution Structure Of The Sixth Fibronectin Type Iii Domain Of Human Netrin Receptor Dcc" 100.00 114 100.00 100.00 3.91e-76 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' 'E. coli' Escherichia coli . P050905-24 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.3mM sample [U-15N,13C]; 20mM d-Tris-HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.3 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' d-DTT 1 mM [U-2H] 'sodium azide' 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 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMNMRView _Saveframe_category software _Name NMNMRView _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 0.955 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_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS 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 $NMNMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'sixth fn3 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 4.528 0.030 1 2 5 5 SER HB2 H 3.856 0.030 2 3 5 5 SER C C 174.026 0.300 1 4 5 5 SER CA C 58.086 0.300 1 5 5 5 SER CB C 64.010 0.300 1 6 6 6 SER H H 8.334 0.030 1 7 6 6 SER HA H 4.615 0.030 1 8 6 6 SER HB2 H 3.802 0.030 1 9 6 6 SER HB3 H 3.802 0.030 1 10 6 6 SER C C 174.550 0.300 1 11 6 6 SER CA C 57.614 0.300 1 12 6 6 SER CB C 64.843 0.300 1 13 6 6 SER N N 116.964 0.300 1 14 7 7 GLY H H 8.239 0.030 1 15 7 7 GLY HA2 H 3.389 0.030 2 16 7 7 GLY HA3 H 4.488 0.030 2 17 7 7 GLY C C 170.908 0.300 1 18 7 7 GLY CA C 44.290 0.300 1 19 7 7 GLY N N 108.669 0.300 1 20 8 8 PRO HA H 4.609 0.030 1 21 8 8 PRO HB2 H 2.449 0.030 2 22 8 8 PRO HB3 H 1.800 0.030 2 23 8 8 PRO HD2 H 3.512 0.030 2 24 8 8 PRO HD3 H 3.105 0.030 2 25 8 8 PRO HG2 H 1.971 0.030 2 26 8 8 PRO HG3 H 1.679 0.030 2 27 8 8 PRO C C 177.039 0.300 1 28 8 8 PRO CA C 63.632 0.300 1 29 8 8 PRO CB C 32.205 0.300 1 30 8 8 PRO CD C 49.978 0.300 1 31 8 8 PRO CG C 27.443 0.300 1 32 9 9 THR H H 8.383 0.030 1 33 9 9 THR HA H 4.549 0.030 1 34 9 9 THR HB H 4.693 0.030 1 35 9 9 THR HG2 H 1.096 0.030 1 36 9 9 THR C C 173.496 0.300 1 37 9 9 THR CA C 60.802 0.300 1 38 9 9 THR CB C 68.269 0.300 1 39 9 9 THR CG2 C 22.094 0.300 1 40 9 9 THR N N 110.551 0.300 1 41 10 10 SER H H 7.595 0.030 1 42 10 10 SER HA H 4.705 0.030 1 43 10 10 SER HB2 H 4.278 0.030 2 44 10 10 SER HB3 H 3.680 0.030 2 45 10 10 SER C C 172.409 0.300 1 46 10 10 SER CA C 57.573 0.300 1 47 10 10 SER CB C 65.760 0.300 1 48 10 10 SER N N 114.510 0.300 1 49 11 11 ALA H H 8.876 0.030 1 50 11 11 ALA HA H 5.044 0.030 1 51 11 11 ALA HB H 1.273 0.030 1 52 11 11 ALA C C 175.121 0.300 1 53 11 11 ALA CA C 49.805 0.300 1 54 11 11 ALA CB C 17.969 0.300 1 55 11 11 ALA N N 122.813 0.300 1 56 12 12 PRO HA H 4.187 0.030 1 57 12 12 PRO HB2 H 2.739 0.030 2 58 12 12 PRO HB3 H 1.614 0.030 2 59 12 12 PRO HD2 H 3.492 0.030 2 60 12 12 PRO HD3 H 4.340 0.030 2 61 12 12 PRO HG2 H 1.920 0.030 2 62 12 12 PRO HG3 H 1.834 0.030 2 63 12 12 PRO C C 174.500 0.300 1 64 12 12 PRO CA C 63.804 0.300 1 65 12 12 PRO CB C 31.067 0.300 1 66 12 12 PRO CD C 49.536 0.300 1 67 12 12 PRO CG C 29.514 0.300 1 68 13 13 LYS H H 7.610 0.030 1 69 13 13 LYS HA H 4.503 0.030 1 70 13 13 LYS HB2 H 1.723 0.030 2 71 13 13 LYS HB3 H 1.599 0.030 2 72 13 13 LYS HD2 H 1.759 0.030 1 73 13 13 LYS HD3 H 1.759 0.030 1 74 13 13 LYS HE2 H 3.044 0.030 1 75 13 13 LYS HE3 H 3.044 0.030 1 76 13 13 LYS HG2 H 1.484 0.030 2 77 13 13 LYS HG3 H 1.597 0.030 2 78 13 13 LYS C C 174.868 0.300 1 79 13 13 LYS CA C 55.026 0.300 1 80 13 13 LYS CB C 35.642 0.300 1 81 13 13 LYS CD C 28.846 0.300 1 82 13 13 LYS CE C 41.495 0.300 1 83 13 13 LYS CG C 24.458 0.300 1 84 13 13 LYS N N 122.614 0.300 1 85 14 14 ASP H H 8.597 0.030 1 86 14 14 ASP HA H 4.226 0.030 1 87 14 14 ASP HB2 H 2.798 0.030 2 88 14 14 ASP HB3 H 2.527 0.030 2 89 14 14 ASP C C 175.669 0.300 1 90 14 14 ASP CA C 55.177 0.300 1 91 14 14 ASP CB C 39.126 0.300 1 92 14 14 ASP N N 115.671 0.300 1 93 15 15 LEU H H 8.372 0.030 1 94 15 15 LEU HA H 4.990 0.030 1 95 15 15 LEU HB2 H 1.952 0.030 2 96 15 15 LEU HB3 H 1.327 0.030 2 97 15 15 LEU HD1 H 0.873 0.030 1 98 15 15 LEU HD2 H 0.800 0.030 1 99 15 15 LEU HG H 1.391 0.030 1 100 15 15 LEU C C 176.820 0.300 1 101 15 15 LEU CA C 56.852 0.300 1 102 15 15 LEU CB C 41.608 0.300 1 103 15 15 LEU CD1 C 24.446 0.300 2 104 15 15 LEU CD2 C 25.895 0.300 2 105 15 15 LEU CG C 27.147 0.300 1 106 15 15 LEU N N 122.101 0.300 1 107 16 16 THR H H 9.415 0.030 1 108 16 16 THR HA H 4.464 0.030 1 109 16 16 THR HB H 3.913 0.030 1 110 16 16 THR HG2 H 1.097 0.030 1 111 16 16 THR C C 171.413 0.300 1 112 16 16 THR CA C 62.084 0.300 1 113 16 16 THR CB C 72.739 0.300 1 114 16 16 THR CG2 C 20.325 0.300 1 115 16 16 THR N N 123.745 0.300 1 116 17 17 VAL H H 8.251 0.030 1 117 17 17 VAL HA H 4.353 0.030 1 118 17 17 VAL HB H 1.052 0.030 1 119 17 17 VAL HG1 H -0.573 0.030 1 120 17 17 VAL HG2 H -0.166 0.030 1 121 17 17 VAL C C 173.407 0.300 1 122 17 17 VAL CA C 61.095 0.300 1 123 17 17 VAL CB C 34.014 0.300 1 124 17 17 VAL CG1 C 20.794 0.300 2 125 17 17 VAL CG2 C 19.847 0.300 2 126 17 17 VAL N N 125.061 0.300 1 127 18 18 ILE H H 8.074 0.030 1 128 18 18 ILE HA H 4.574 0.030 1 129 18 18 ILE HB H 1.794 0.030 1 130 18 18 ILE HD1 H 0.757 0.030 1 131 18 18 ILE HG12 H 1.243 0.030 2 132 18 18 ILE HG13 H 0.987 0.030 2 133 18 18 ILE HG2 H 0.830 0.030 1 134 18 18 ILE C C 174.450 0.300 1 135 18 18 ILE CA C 59.177 0.300 1 136 18 18 ILE CB C 42.694 0.300 1 137 18 18 ILE CD1 C 13.688 0.300 1 138 18 18 ILE CG1 C 26.602 0.300 1 139 18 18 ILE CG2 C 17.418 0.300 1 140 18 18 ILE N N 120.080 0.300 1 141 19 19 THR H H 8.212 0.030 1 142 19 19 THR HA H 4.392 0.030 1 143 19 19 THR HB H 4.121 0.030 1 144 19 19 THR HG2 H 1.343 0.030 1 145 19 19 THR C C 173.825 0.300 1 146 19 19 THR CA C 62.825 0.300 1 147 19 19 THR CB C 70.190 0.300 1 148 19 19 THR CG2 C 22.296 0.300 1 149 19 19 THR N N 117.091 0.300 1 150 20 20 ARG H H 8.487 0.030 1 151 20 20 ARG HA H 4.242 0.030 1 152 20 20 ARG HB2 H 1.925 0.030 2 153 20 20 ARG HB3 H 1.385 0.030 2 154 20 20 ARG HD2 H 2.949 0.030 2 155 20 20 ARG HD3 H 3.042 0.030 2 156 20 20 ARG HG2 H 1.534 0.030 2 157 20 20 ARG HG3 H 1.455 0.030 2 158 20 20 ARG C C 175.647 0.300 1 159 20 20 ARG CA C 55.252 0.300 1 160 20 20 ARG CB C 30.896 0.300 1 161 20 20 ARG CD C 43.400 0.300 1 162 20 20 ARG CG C 27.272 0.300 1 163 20 20 ARG N N 126.424 0.300 1 164 21 21 GLU H H 8.741 0.030 1 165 21 21 GLU HA H 3.921 0.030 1 166 21 21 GLU HB2 H 1.977 0.030 2 167 21 21 GLU HB3 H 1.932 0.030 2 168 21 21 GLU HG2 H 2.244 0.030 1 169 21 21 GLU HG3 H 2.244 0.030 1 170 21 21 GLU C C 177.416 0.300 1 171 21 21 GLU CA C 58.445 0.300 1 172 21 21 GLU CB C 29.282 0.300 1 173 21 21 GLU CG C 35.890 0.300 1 174 21 21 GLU N N 128.175 0.300 1 175 22 22 GLY H H 8.767 0.030 1 176 22 22 GLY HA2 H 4.162 0.030 2 177 22 22 GLY HA3 H 3.786 0.030 2 178 22 22 GLY C C 174.082 0.300 1 179 22 22 GLY CA C 45.462 0.300 1 180 22 22 GLY N N 112.715 0.300 1 181 23 23 LYS H H 7.694 0.030 1 182 23 23 LYS HA H 4.886 0.030 1 183 23 23 LYS HB2 H 1.772 0.030 2 184 23 23 LYS HB3 H 1.551 0.030 2 185 23 23 LYS HD2 H 1.660 0.030 2 186 23 23 LYS HD3 H 1.522 0.030 2 187 23 23 LYS HE2 H 2.932 0.030 2 188 23 23 LYS HG2 H 1.296 0.030 1 189 23 23 LYS HG3 H 1.296 0.030 1 190 23 23 LYS C C 172.938 0.300 1 191 23 23 LYS CA C 53.316 0.300 1 192 23 23 LYS CB C 33.644 0.300 1 193 23 23 LYS CD C 29.234 0.300 1 194 23 23 LYS CE C 42.156 0.300 1 195 23 23 LYS CG C 24.450 0.300 1 196 23 23 LYS N N 120.601 0.300 1 197 24 24 PRO HA H 4.404 0.030 1 198 24 24 PRO HB2 H 2.233 0.030 2 199 24 24 PRO HB3 H 1.890 0.030 2 200 24 24 PRO HD2 H 3.773 0.030 2 201 24 24 PRO HD3 H 3.438 0.030 2 202 24 24 PRO HG2 H 1.969 0.030 2 203 24 24 PRO HG3 H 1.898 0.030 2 204 24 24 PRO C C 176.584 0.300 1 205 24 24 PRO CA C 64.636 0.300 1 206 24 24 PRO CB C 32.573 0.300 1 207 24 24 PRO CD C 50.023 0.300 1 208 24 24 PRO CG C 27.346 0.300 1 209 25 25 ARG H H 8.153 0.030 1 210 25 25 ARG HA H 4.174 0.030 1 211 25 25 ARG HB2 H 2.395 0.030 2 212 25 25 ARG HB3 H 1.717 0.030 2 213 25 25 ARG HD2 H 3.276 0.030 2 214 25 25 ARG HD3 H 3.210 0.030 2 215 25 25 ARG HG2 H 1.700 0.030 2 216 25 25 ARG HG3 H 1.542 0.030 2 217 25 25 ARG C C 173.701 0.300 1 218 25 25 ARG CA C 56.440 0.300 1 219 25 25 ARG CB C 30.089 0.300 1 220 25 25 ARG CD C 43.912 0.300 1 221 25 25 ARG CG C 28.356 0.300 1 222 25 25 ARG N N 114.931 0.300 1 223 26 26 ALA H H 7.992 0.030 1 224 26 26 ALA HA H 5.391 0.030 1 225 26 26 ALA HB H 1.331 0.030 1 226 26 26 ALA C C 176.964 0.300 1 227 26 26 ALA CA C 49.969 0.300 1 228 26 26 ALA CB C 22.435 0.300 1 229 26 26 ALA N N 120.437 0.300 1 230 27 27 VAL H H 8.508 0.030 1 231 27 27 VAL HA H 4.804 0.030 1 232 27 27 VAL HB H 1.534 0.030 1 233 27 27 VAL HG1 H 0.354 0.030 1 234 27 27 VAL HG2 H 0.378 0.030 1 235 27 27 VAL C C 174.651 0.300 1 236 27 27 VAL CA C 58.684 0.300 1 237 27 27 VAL CB C 34.815 0.300 1 238 27 27 VAL CG1 C 22.383 0.300 2 239 27 27 VAL CG2 C 19.397 0.300 2 240 27 27 VAL N N 113.138 0.300 1 241 28 28 ILE H H 8.768 0.030 1 242 28 28 ILE HA H 4.327 0.030 1 243 28 28 ILE HB H 1.510 0.030 1 244 28 28 ILE HD1 H 0.705 0.030 1 245 28 28 ILE HG12 H 1.255 0.030 2 246 28 28 ILE HG13 H 0.895 0.030 2 247 28 28 ILE HG2 H 0.638 0.030 1 248 28 28 ILE C C 174.802 0.300 1 249 28 28 ILE CA C 60.362 0.300 1 250 28 28 ILE CB C 39.092 0.300 1 251 28 28 ILE CD1 C 13.256 0.300 1 252 28 28 ILE CG1 C 27.655 0.300 1 253 28 28 ILE CG2 C 17.415 0.300 1 254 28 28 ILE N N 121.507 0.300 1 255 29 29 VAL H H 9.152 0.030 1 256 29 29 VAL HA H 4.799 0.030 1 257 29 29 VAL HB H 2.060 0.030 1 258 29 29 VAL HG1 H 1.009 0.030 1 259 29 29 VAL HG2 H 0.597 0.030 1 260 29 29 VAL C C 174.663 0.300 1 261 29 29 VAL CA C 60.107 0.300 1 262 29 29 VAL CB C 33.513 0.300 1 263 29 29 VAL CG1 C 22.631 0.300 2 264 29 29 VAL CG2 C 21.541 0.300 2 265 29 29 VAL N N 131.009 0.300 1 266 30 30 SER H H 9.293 0.030 1 267 30 30 SER HA H 5.034 0.030 1 268 30 30 SER HB2 H 3.703 0.030 2 269 30 30 SER HB3 H 3.537 0.030 2 270 30 30 SER C C 172.248 0.300 1 271 30 30 SER CA C 57.465 0.300 1 272 30 30 SER CB C 66.489 0.300 1 273 30 30 SER N N 120.728 0.300 1 274 31 31 TRP H H 7.414 0.030 1 275 31 31 TRP HA H 4.782 0.030 1 276 31 31 TRP HB2 H 3.372 0.030 2 277 31 31 TRP HB3 H 2.941 0.030 2 278 31 31 TRP HD1 H 6.164 0.030 1 279 31 31 TRP HE1 H 6.066 0.030 1 280 31 31 TRP HE3 H 6.747 0.030 1 281 31 31 TRP HH2 H 6.529 0.030 1 282 31 31 TRP HZ2 H 6.913 0.030 1 283 31 31 TRP HZ3 H 6.354 0.030 1 284 31 31 TRP C C 172.560 0.300 1 285 31 31 TRP CA C 57.302 0.300 1 286 31 31 TRP CB C 29.406 0.300 1 287 31 31 TRP CD1 C 124.997 0.300 1 288 31 31 TRP CE3 C 120.381 0.300 1 289 31 31 TRP CH2 C 123.012 0.300 1 290 31 31 TRP CZ2 C 113.622 0.300 1 291 31 31 TRP CZ3 C 119.884 0.300 1 292 31 31 TRP N N 117.418 0.300 1 293 31 31 TRP NE1 N 124.212 0.300 1 294 32 32 GLN H H 8.967 0.030 1 295 32 32 GLN HA H 4.877 0.030 1 296 32 32 GLN HB2 H 1.547 0.030 2 297 32 32 GLN HB3 H 2.299 0.030 2 298 32 32 GLN HE21 H 6.751 0.030 2 299 32 32 GLN HE22 H 7.508 0.030 2 300 32 32 GLN HG2 H 2.465 0.030 2 301 32 32 GLN HG3 H 2.285 0.030 2 302 32 32 GLN C C 173.546 0.300 1 303 32 32 GLN CA C 52.601 0.300 1 304 32 32 GLN CB C 30.355 0.300 1 305 32 32 GLN CG C 33.420 0.300 1 306 32 32 GLN N N 115.657 0.300 1 307 32 32 GLN NE2 N 113.582 0.300 1 308 33 33 PRO HA H 5.121 0.030 1 309 33 33 PRO HB2 H 2.527 0.030 2 310 33 33 PRO HB3 H 1.818 0.030 2 311 33 33 PRO HD2 H 3.782 0.030 2 312 33 33 PRO HD3 H 3.690 0.030 2 313 33 33 PRO HG2 H 2.203 0.030 2 314 33 33 PRO HG3 H 2.093 0.030 2 315 33 33 PRO CA C 62.045 0.300 1 316 33 33 PRO CB C 30.448 0.300 1 317 33 33 PRO CD C 50.726 0.300 1 318 33 33 PRO CG C 27.946 0.300 1 319 34 34 PRO HA H 4.324 0.030 1 320 34 34 PRO HB2 H 1.879 0.030 2 321 34 34 PRO HB3 H 1.474 0.030 2 322 34 34 PRO HD2 H 3.895 0.030 2 323 34 34 PRO HD3 H 3.809 0.030 2 324 34 34 PRO HG2 H 1.616 0.030 2 325 34 34 PRO HG3 H 1.864 0.030 2 326 34 34 PRO C C 176.617 0.300 1 327 34 34 PRO CA C 61.535 0.300 1 328 34 34 PRO CB C 32.136 0.300 1 329 34 34 PRO CD C 50.550 0.300 1 330 34 34 PRO CG C 27.949 0.300 1 331 35 35 LEU H H 8.601 0.030 1 332 35 35 LEU HA H 4.110 0.030 1 333 35 35 LEU HB2 H 1.586 0.030 1 334 35 35 LEU HB3 H 1.586 0.030 1 335 35 35 LEU HD1 H 0.987 0.030 1 336 35 35 LEU HD2 H 0.942 0.030 1 337 35 35 LEU HG H 1.662 0.030 1 338 35 35 LEU C C 178.507 0.300 1 339 35 35 LEU CA C 57.194 0.300 1 340 35 35 LEU CB C 42.289 0.300 1 341 35 35 LEU CD1 C 24.723 0.300 2 342 35 35 LEU CD2 C 23.681 0.300 2 343 35 35 LEU CG C 27.315 0.300 1 344 35 35 LEU N N 121.544 0.300 1 345 36 36 GLU H H 7.768 0.030 1 346 36 36 GLU HA H 4.576 0.030 1 347 36 36 GLU HB2 H 1.972 0.030 2 348 36 36 GLU HB3 H 1.751 0.030 2 349 36 36 GLU HG2 H 2.039 0.030 2 350 36 36 GLU HG3 H 2.143 0.030 2 351 36 36 GLU C C 175.313 0.300 1 352 36 36 GLU CA C 53.183 0.300 1 353 36 36 GLU CB C 27.922 0.300 1 354 36 36 GLU CG C 35.003 0.300 1 355 36 36 GLU N N 118.360 0.300 1 356 37 37 ALA H H 7.278 0.030 1 357 37 37 ALA HA H 3.748 0.030 1 358 37 37 ALA HB H 1.545 0.030 1 359 37 37 ALA C C 176.722 0.300 1 360 37 37 ALA CA C 55.171 0.300 1 361 37 37 ALA CB C 19.685 0.300 1 362 37 37 ALA N N 123.194 0.300 1 363 38 38 ASN H H 8.444 0.030 1 364 38 38 ASN HA H 4.283 0.030 1 365 38 38 ASN HB2 H 2.840 0.030 2 366 38 38 ASN HB3 H 2.514 0.030 2 367 38 38 ASN HD21 H 7.488 0.030 2 368 38 38 ASN HD22 H 6.954 0.030 2 369 38 38 ASN C C 173.374 0.300 1 370 38 38 ASN CA C 53.687 0.300 1 371 38 38 ASN CB C 36.710 0.300 1 372 38 38 ASN N N 108.456 0.300 1 373 38 38 ASN ND2 N 115.510 0.300 1 374 39 39 GLY H H 7.605 0.030 1 375 39 39 GLY HA2 H 4.330 0.030 2 376 39 39 GLY HA3 H 3.712 0.030 2 377 39 39 GLY C C 172.362 0.300 1 378 39 39 GLY CA C 43.724 0.300 1 379 39 39 GLY N N 105.578 0.300 1 380 40 40 LYS H H 8.216 0.030 1 381 40 40 LYS HA H 4.143 0.030 1 382 40 40 LYS HB2 H 1.754 0.030 2 383 40 40 LYS HB3 H 1.688 0.030 2 384 40 40 LYS HD2 H 1.627 0.030 2 385 40 40 LYS HD3 H 1.683 0.030 2 386 40 40 LYS HE2 H 2.985 0.030 2 387 40 40 LYS HG2 H 1.421 0.030 2 388 40 40 LYS HG3 H 1.234 0.030 2 389 40 40 LYS C C 176.830 0.300 1 390 40 40 LYS CA C 56.439 0.300 1 391 40 40 LYS CB C 33.083 0.300 1 392 40 40 LYS CD C 29.322 0.300 1 393 40 40 LYS CE C 42.293 0.300 1 394 40 40 LYS CG C 24.655 0.300 1 395 40 40 LYS N N 120.520 0.300 1 396 41 41 ILE H H 8.639 0.030 1 397 41 41 ILE HA H 4.195 0.030 1 398 41 41 ILE HB H 2.117 0.030 1 399 41 41 ILE HD1 H 0.701 0.030 1 400 41 41 ILE HG12 H 1.815 0.030 2 401 41 41 ILE HG13 H 1.413 0.030 2 402 41 41 ILE HG2 H 0.489 0.030 1 403 41 41 ILE C C 176.963 0.300 1 404 41 41 ILE CA C 58.975 0.300 1 405 41 41 ILE CB C 35.293 0.300 1 406 41 41 ILE CD1 C 10.554 0.300 1 407 41 41 ILE CG1 C 26.604 0.300 1 408 41 41 ILE CG2 C 17.991 0.300 1 409 41 41 ILE N N 126.378 0.300 1 410 42 42 THR H H 8.991 0.030 1 411 42 42 THR HA H 4.326 0.030 1 412 42 42 THR HB H 4.156 0.030 1 413 42 42 THR HG2 H 1.101 0.030 1 414 42 42 THR C C 176.117 0.300 1 415 42 42 THR CA C 61.893 0.300 1 416 42 42 THR CB C 68.658 0.300 1 417 42 42 THR CG2 C 22.917 0.300 1 418 42 42 THR N N 119.340 0.300 1 419 43 43 ALA H H 7.508 0.030 1 420 43 43 ALA HA H 4.804 0.030 1 421 43 43 ALA HB H 1.205 0.030 1 422 43 43 ALA C C 174.112 0.300 1 423 43 43 ALA CA C 52.087 0.300 1 424 43 43 ALA CB C 21.926 0.300 1 425 43 43 ALA N N 124.022 0.300 1 426 44 44 TYR H H 9.150 0.030 1 427 44 44 TYR HA H 4.936 0.030 1 428 44 44 TYR HB2 H 2.397 0.030 2 429 44 44 TYR HB3 H 2.274 0.030 2 430 44 44 TYR HD1 H 6.628 0.030 1 431 44 44 TYR HD2 H 6.628 0.030 1 432 44 44 TYR HE1 H 7.228 0.030 1 433 44 44 TYR HE2 H 7.228 0.030 1 434 44 44 TYR C C 173.558 0.300 1 435 44 44 TYR CA C 57.701 0.300 1 436 44 44 TYR CB C 41.695 0.300 1 437 44 44 TYR N N 117.033 0.300 1 438 45 45 ILE H H 8.831 0.030 1 439 45 45 ILE HA H 4.513 0.030 1 440 45 45 ILE HB H 1.829 0.030 1 441 45 45 ILE HD1 H 0.650 0.030 1 442 45 45 ILE HG12 H 1.160 0.030 2 443 45 45 ILE HG13 H 1.017 0.030 2 444 45 45 ILE HG2 H 0.267 0.030 1 445 45 45 ILE C C 173.236 0.300 1 446 45 45 ILE CA C 61.051 0.300 1 447 45 45 ILE CB C 38.374 0.300 1 448 45 45 ILE CD1 C 14.647 0.300 1 449 45 45 ILE CG1 C 28.420 0.300 1 450 45 45 ILE CG2 C 21.746 0.300 1 451 45 45 ILE N N 122.299 0.300 1 452 46 46 LEU H H 8.705 0.030 1 453 46 46 LEU HA H 4.796 0.030 1 454 46 46 LEU HB2 H 1.659 0.030 2 455 46 46 LEU HB3 H 0.827 0.030 2 456 46 46 LEU HD1 H 1.009 0.030 1 457 46 46 LEU HD2 H 0.925 0.030 1 458 46 46 LEU HG H 1.727 0.030 1 459 46 46 LEU C C 173.362 0.300 1 460 46 46 LEU CA C 53.139 0.300 1 461 46 46 LEU CB C 46.213 0.300 1 462 46 46 LEU CD1 C 24.224 0.300 2 463 46 46 LEU CD2 C 27.504 0.300 2 464 46 46 LEU CG C 27.807 0.300 1 465 46 46 LEU N N 129.009 0.300 1 466 47 47 PHE H H 9.319 0.030 1 467 47 47 PHE HA H 6.164 0.030 1 468 47 47 PHE HB2 H 3.145 0.030 2 469 47 47 PHE HB3 H 2.602 0.030 2 470 47 47 PHE HD1 H 6.862 0.030 1 471 47 47 PHE HD2 H 6.862 0.030 1 472 47 47 PHE HE1 H 7.127 0.030 1 473 47 47 PHE HE2 H 7.127 0.030 1 474 47 47 PHE HZ H 7.006 0.030 1 475 47 47 PHE C C 176.311 0.300 1 476 47 47 PHE CA C 55.539 0.300 1 477 47 47 PHE CB C 43.702 0.300 1 478 47 47 PHE CD1 C 131.718 0.300 1 479 47 47 PHE CD2 C 131.718 0.300 1 480 47 47 PHE CE1 C 131.625 0.300 1 481 47 47 PHE CE2 C 131.625 0.300 1 482 47 47 PHE CZ C 129.503 0.300 1 483 47 47 PHE N N 123.673 0.300 1 484 48 48 TYR H H 9.638 0.030 1 485 48 48 TYR HA H 6.144 0.030 1 486 48 48 TYR HB2 H 2.825 0.030 2 487 48 48 TYR HB3 H 1.988 0.030 2 488 48 48 TYR HD1 H 6.646 0.030 1 489 48 48 TYR HD2 H 6.646 0.030 1 490 48 48 TYR HE1 H 6.550 0.030 1 491 48 48 TYR HE2 H 6.550 0.030 1 492 48 48 TYR C C 173.758 0.300 1 493 48 48 TYR CA C 56.476 0.300 1 494 48 48 TYR CB C 41.486 0.300 1 495 48 48 TYR CD1 C 132.910 0.300 1 496 48 48 TYR CD2 C 132.910 0.300 1 497 48 48 TYR CE1 C 117.866 0.300 1 498 48 48 TYR CE2 C 117.866 0.300 1 499 48 48 TYR N N 118.154 0.300 1 500 49 49 THR H H 8.006 0.030 1 501 49 49 THR HA H 4.654 0.030 1 502 49 49 THR HB H 3.006 0.030 1 503 49 49 THR HG2 H -0.820 0.030 1 504 49 49 THR C C 171.347 0.300 1 505 49 49 THR CA C 58.767 0.300 1 506 49 49 THR CB C 69.410 0.300 1 507 49 49 THR CG2 C 16.666 0.300 1 508 49 49 THR N N 110.588 0.300 1 509 50 50 LEU H H 7.830 0.030 1 510 50 50 LEU HA H 4.761 0.030 1 511 50 50 LEU HB2 H 1.475 0.030 2 512 50 50 LEU HB3 H 1.102 0.030 2 513 50 50 LEU HD1 H 0.686 0.030 1 514 50 50 LEU HD2 H 0.737 0.030 1 515 50 50 LEU HG H 1.575 0.030 1 516 50 50 LEU C C 177.045 0.300 1 517 50 50 LEU CA C 54.751 0.300 1 518 50 50 LEU CB C 41.522 0.300 1 519 50 50 LEU CD1 C 25.919 0.300 2 520 50 50 LEU CD2 C 24.430 0.300 2 521 50 50 LEU CG C 26.779 0.300 1 522 50 50 LEU N N 121.468 0.300 1 523 51 51 ASP H H 8.140 0.030 1 524 51 51 ASP HA H 4.711 0.030 1 525 51 51 ASP HB2 H 2.596 0.030 2 526 51 51 ASP HB3 H 2.277 0.030 2 527 51 51 ASP C C 175.051 0.300 1 528 51 51 ASP CA C 52.882 0.300 1 529 51 51 ASP CB C 41.894 0.300 1 530 51 51 ASP N N 121.701 0.300 1 531 52 52 LYS H H 7.637 0.030 1 532 52 52 LYS HA H 3.512 0.030 1 533 52 52 LYS HB2 H 1.319 0.030 2 534 52 52 LYS HB3 H 0.295 0.030 2 535 52 52 LYS HD2 H 1.298 0.030 2 536 52 52 LYS HD3 H 1.271 0.030 2 537 52 52 LYS HE2 H 2.865 0.030 2 538 52 52 LYS HE3 H 2.821 0.030 2 539 52 52 LYS HG2 H 0.965 0.030 2 540 52 52 LYS HG3 H 0.729 0.030 2 541 52 52 LYS C C 175.982 0.300 1 542 52 52 LYS CA C 56.909 0.300 1 543 52 52 LYS CB C 30.571 0.300 1 544 52 52 LYS CD C 29.339 0.300 1 545 52 52 LYS CE C 42.043 0.300 1 546 52 52 LYS CG C 22.857 0.300 1 547 52 52 LYS N N 122.220 0.300 1 548 53 53 ASN H H 8.401 0.030 1 549 53 53 ASN HA H 4.650 0.030 1 550 53 53 ASN HB2 H 2.820 0.030 1 551 53 53 ASN HB3 H 2.820 0.030 1 552 53 53 ASN HD21 H 6.927 0.030 2 553 53 53 ASN HD22 H 7.894 0.030 2 554 53 53 ASN C C 175.727 0.300 1 555 53 53 ASN CA C 53.867 0.300 1 556 53 53 ASN CB C 38.958 0.300 1 557 53 53 ASN N N 117.473 0.300 1 558 53 53 ASN ND2 N 115.671 0.300 1 559 54 54 ILE H H 7.037 0.030 1 560 54 54 ILE HA H 4.546 0.030 1 561 54 54 ILE HB H 2.153 0.030 1 562 54 54 ILE HD1 H 0.793 0.030 1 563 54 54 ILE HG12 H 1.500 0.030 2 564 54 54 ILE HG13 H 1.336 0.030 2 565 54 54 ILE HG2 H 0.946 0.030 1 566 54 54 ILE C C 173.896 0.300 1 567 54 54 ILE CA C 59.999 0.300 1 568 54 54 ILE CB C 37.119 0.300 1 569 54 54 ILE CD1 C 13.970 0.300 1 570 54 54 ILE CG1 C 25.721 0.300 1 571 54 54 ILE CG2 C 17.265 0.300 1 572 54 54 ILE N N 117.731 0.300 1 573 55 55 PRO HA H 4.353 0.030 1 574 55 55 PRO HB2 H 2.328 0.030 2 575 55 55 PRO HB3 H 1.889 0.030 2 576 55 55 PRO HD2 H 3.842 0.030 1 577 55 55 PRO HD3 H 3.842 0.030 1 578 55 55 PRO HG2 H 1.963 0.030 2 579 55 55 PRO HG3 H 2.090 0.030 2 580 55 55 PRO C C 177.879 0.300 1 581 55 55 PRO CA C 63.204 0.300 1 582 55 55 PRO CB C 32.298 0.300 1 583 55 55 PRO CD C 50.773 0.300 1 584 55 55 PRO CG C 28.002 0.300 1 585 56 56 ILE H H 8.164 0.030 1 586 56 56 ILE HA H 2.919 0.030 1 587 56 56 ILE HB H 1.052 0.030 1 588 56 56 ILE HD1 H -0.804 0.030 1 589 56 56 ILE HG12 H 0.204 0.030 2 590 56 56 ILE HG13 H 0.159 0.030 2 591 56 56 ILE HG2 H 0.356 0.030 1 592 56 56 ILE C C 175.733 0.300 1 593 56 56 ILE CA C 61.041 0.300 1 594 56 56 ILE CB C 37.929 0.300 1 595 56 56 ILE CD1 C 12.785 0.300 1 596 56 56 ILE CG1 C 27.710 0.300 1 597 56 56 ILE CG2 C 17.591 0.300 1 598 56 56 ILE N N 122.757 0.300 1 599 57 57 ASP H H 7.766 0.030 1 600 57 57 ASP HA H 4.330 0.030 1 601 57 57 ASP HB2 H 2.699 0.030 2 602 57 57 ASP HB3 H 2.293 0.030 2 603 57 57 ASP C C 175.917 0.300 1 604 57 57 ASP CA C 56.090 0.300 1 605 57 57 ASP CB C 40.761 0.300 1 606 57 57 ASP N N 117.671 0.300 1 607 58 58 ASP H H 8.439 0.030 1 608 58 58 ASP HA H 4.954 0.030 1 609 58 58 ASP HB2 H 2.958 0.030 2 610 58 58 ASP HB3 H 2.669 0.030 2 611 58 58 ASP C C 177.522 0.300 1 612 58 58 ASP CA C 54.091 0.300 1 613 58 58 ASP CB C 42.191 0.300 1 614 58 58 ASP N N 116.294 0.300 1 615 59 59 TRP H H 8.014 0.030 1 616 59 59 TRP HA H 4.526 0.030 1 617 59 59 TRP HB2 H 3.425 0.030 2 618 59 59 TRP HB3 H 3.324 0.030 2 619 59 59 TRP HD1 H 7.390 0.030 1 620 59 59 TRP HE1 H 9.603 0.030 1 621 59 59 TRP HE3 H 7.125 0.030 1 622 59 59 TRP HH2 H 6.726 0.030 1 623 59 59 TRP HZ2 H 7.376 0.030 1 624 59 59 TRP HZ3 H 6.665 0.030 1 625 59 59 TRP C C 175.437 0.300 1 626 59 59 TRP CA C 58.376 0.300 1 627 59 59 TRP CB C 28.383 0.300 1 628 59 59 TRP CD1 C 128.420 0.300 1 629 59 59 TRP CE3 C 121.228 0.300 1 630 59 59 TRP CH2 C 122.481 0.300 1 631 59 59 TRP CZ2 C 114.448 0.300 1 632 59 59 TRP CZ3 C 120.983 0.300 1 633 59 59 TRP N N 123.905 0.300 1 634 59 59 TRP NE1 N 128.650 0.300 1 635 60 60 ILE H H 8.834 0.030 1 636 60 60 ILE HA H 3.768 0.030 1 637 60 60 ILE HB H 0.758 0.030 1 638 60 60 ILE HD1 H 0.742 0.030 1 639 60 60 ILE HG12 H 1.478 0.030 2 640 60 60 ILE HG13 H 1.073 0.030 2 641 60 60 ILE HG2 H 0.691 0.030 1 642 60 60 ILE C C 174.794 0.300 1 643 60 60 ILE CA C 62.851 0.300 1 644 60 60 ILE CB C 35.970 0.300 1 645 60 60 ILE CD1 C 12.201 0.300 1 646 60 60 ILE CG1 C 27.958 0.300 1 647 60 60 ILE CG2 C 18.763 0.300 1 648 60 60 ILE N N 124.253 0.300 1 649 61 61 MET H H 8.045 0.030 1 650 61 61 MET HA H 5.177 0.030 1 651 61 61 MET HB2 H 1.764 0.030 1 652 61 61 MET HB3 H 1.764 0.030 1 653 61 61 MET HE H 1.957 0.030 1 654 61 61 MET HG2 H 1.707 0.030 2 655 61 61 MET HG3 H 1.609 0.030 2 656 61 61 MET C C 176.108 0.300 1 657 61 61 MET CA C 53.944 0.300 1 658 61 61 MET CB C 36.031 0.300 1 659 61 61 MET CE C 17.118 0.300 1 660 61 61 MET CG C 31.770 0.300 1 661 61 61 MET N N 126.138 0.300 1 662 62 62 GLU H H 9.243 0.030 1 663 62 62 GLU HA H 4.631 0.030 1 664 62 62 GLU HB2 H 1.869 0.030 2 665 62 62 GLU HB3 H 1.729 0.030 2 666 62 62 GLU HG2 H 2.198 0.030 1 667 62 62 GLU HG3 H 2.198 0.030 1 668 62 62 GLU C C 174.138 0.300 1 669 62 62 GLU CA C 55.407 0.300 1 670 62 62 GLU CB C 33.653 0.300 1 671 62 62 GLU CG C 36.590 0.300 1 672 62 62 GLU N N 126.668 0.300 1 673 63 63 THR H H 8.503 0.030 1 674 63 63 THR HA H 4.695 0.030 1 675 63 63 THR HB H 3.904 0.030 1 676 63 63 THR HG2 H 1.044 0.030 1 677 63 63 THR C C 173.715 0.300 1 678 63 63 THR CA C 62.703 0.300 1 679 63 63 THR CB C 69.191 0.300 1 680 63 63 THR CG2 C 21.378 0.300 1 681 63 63 THR N N 119.454 0.300 1 682 64 64 ILE H H 9.555 0.030 1 683 64 64 ILE HA H 4.272 0.030 1 684 64 64 ILE HB H 1.726 0.030 1 685 64 64 ILE HD1 H 0.320 0.030 1 686 64 64 ILE HG12 H 1.002 0.030 2 687 64 64 ILE HG13 H 0.876 0.030 2 688 64 64 ILE HG2 H 1.409 0.030 1 689 64 64 ILE C C 174.921 0.300 1 690 64 64 ILE CA C 60.398 0.300 1 691 64 64 ILE CB C 42.003 0.300 1 692 64 64 ILE CD1 C 15.498 0.300 1 693 64 64 ILE CG1 C 29.445 0.300 1 694 64 64 ILE CG2 C 19.621 0.300 1 695 64 64 ILE N N 130.701 0.300 1 696 65 65 SER H H 8.611 0.030 1 697 65 65 SER HA H 4.346 0.030 1 698 65 65 SER HB2 H 4.172 0.030 2 699 65 65 SER HB3 H 3.927 0.030 2 700 65 65 SER C C 175.193 0.300 1 701 65 65 SER CA C 59.847 0.300 1 702 65 65 SER CB C 63.822 0.300 1 703 65 65 SER N N 120.923 0.300 1 704 66 66 GLY H H 7.478 0.030 1 705 66 66 GLY HA2 H 3.890 0.030 2 706 66 66 GLY HA3 H 3.476 0.030 2 707 66 66 GLY C C 172.287 0.300 1 708 66 66 GLY CA C 46.530 0.300 1 709 66 66 GLY N N 108.698 0.300 1 710 67 67 ASP H H 8.266 0.030 1 711 67 67 ASP HA H 4.778 0.030 1 712 67 67 ASP HB2 H 2.756 0.030 1 713 67 67 ASP HB3 H 2.756 0.030 1 714 67 67 ASP C C 175.661 0.300 1 715 67 67 ASP CA C 53.337 0.300 1 716 67 67 ASP CB C 40.594 0.300 1 717 67 67 ASP N N 116.599 0.300 1 718 68 68 ARG H H 8.086 0.030 1 719 68 68 ARG HA H 4.475 0.030 1 720 68 68 ARG HB2 H 2.123 0.030 2 721 68 68 ARG HB3 H 1.992 0.030 2 722 68 68 ARG HD2 H 3.356 0.030 1 723 68 68 ARG HD3 H 3.356 0.030 1 724 68 68 ARG HG2 H 1.763 0.030 1 725 68 68 ARG HG3 H 1.763 0.030 1 726 68 68 ARG C C 173.226 0.300 1 727 68 68 ARG CA C 55.416 0.300 1 728 68 68 ARG CB C 32.993 0.300 1 729 68 68 ARG CD C 43.670 0.300 1 730 68 68 ARG CG C 27.384 0.300 1 731 68 68 ARG N N 122.182 0.300 1 732 69 69 LEU H H 7.520 0.030 1 733 69 69 LEU HA H 3.435 0.030 1 734 69 69 LEU HB2 H 1.692 0.030 2 735 69 69 LEU HB3 H 0.909 0.030 2 736 69 69 LEU HD1 H 0.856 0.030 1 737 69 69 LEU HD2 H 0.644 0.030 1 738 69 69 LEU HG H 1.300 0.030 1 739 69 69 LEU C C 174.607 0.300 1 740 69 69 LEU CA C 52.482 0.300 1 741 69 69 LEU CB C 41.913 0.300 1 742 69 69 LEU CD1 C 26.035 0.300 2 743 69 69 LEU CD2 C 22.581 0.300 2 744 69 69 LEU CG C 26.747 0.300 1 745 69 69 LEU N N 116.118 0.300 1 746 70 70 THR H H 6.606 0.030 1 747 70 70 THR HA H 4.804 0.030 1 748 70 70 THR HB H 3.743 0.030 1 749 70 70 THR HG2 H 0.833 0.030 1 750 70 70 THR C C 172.994 0.300 1 751 70 70 THR CA C 58.321 0.300 1 752 70 70 THR CB C 72.064 0.300 1 753 70 70 THR CG2 C 20.239 0.300 1 754 70 70 THR N N 107.197 0.300 1 755 71 71 HIS H H 9.101 0.030 1 756 71 71 HIS HA H 4.877 0.030 1 757 71 71 HIS HB2 H 3.323 0.030 2 758 71 71 HIS HB3 H 2.637 0.030 2 759 71 71 HIS HD2 H 6.312 0.030 1 760 71 71 HIS HE1 H 7.852 0.030 1 761 71 71 HIS C C 172.441 0.300 1 762 71 71 HIS CA C 56.366 0.300 1 763 71 71 HIS CB C 35.526 0.300 1 764 71 71 HIS CD2 C 116.351 0.300 1 765 71 71 HIS CE1 C 139.894 0.300 1 766 71 71 HIS N N 121.695 0.300 1 767 72 72 GLN H H 7.271 0.030 1 768 72 72 GLN HA H 5.135 0.030 1 769 72 72 GLN HB2 H 1.818 0.030 2 770 72 72 GLN HB3 H 1.688 0.030 2 771 72 72 GLN HE21 H 6.683 0.030 2 772 72 72 GLN HE22 H 7.144 0.030 2 773 72 72 GLN HG2 H 2.156 0.030 2 774 72 72 GLN HG3 H 1.958 0.030 2 775 72 72 GLN C C 174.039 0.300 1 776 72 72 GLN CA C 54.200 0.300 1 777 72 72 GLN CB C 31.081 0.300 1 778 72 72 GLN CG C 34.717 0.300 1 779 72 72 GLN N N 125.013 0.300 1 780 72 72 GLN NE2 N 110.207 0.300 1 781 73 73 ILE H H 8.197 0.030 1 782 73 73 ILE HA H 4.076 0.030 1 783 73 73 ILE HB H 1.242 0.030 1 784 73 73 ILE HD1 H 0.409 0.030 1 785 73 73 ILE HG12 H 1.154 0.030 2 786 73 73 ILE HG13 H 0.895 0.030 2 787 73 73 ILE HG2 H 0.752 0.030 1 788 73 73 ILE C C 174.969 0.300 1 789 73 73 ILE CA C 60.500 0.300 1 790 73 73 ILE CB C 40.619 0.300 1 791 73 73 ILE CD1 C 14.439 0.300 1 792 73 73 ILE CG1 C 27.178 0.300 1 793 73 73 ILE CG2 C 17.802 0.300 1 794 73 73 ILE N N 123.913 0.300 1 795 74 74 MET H H 8.633 0.030 1 796 74 74 MET HA H 4.832 0.030 1 797 74 74 MET HB2 H 2.035 0.030 2 798 74 74 MET HB3 H 1.905 0.030 2 799 74 74 MET HE H 1.968 0.030 1 800 74 74 MET HG2 H 2.538 0.030 2 801 74 74 MET HG3 H 2.424 0.030 2 802 74 74 MET C C 175.431 0.300 1 803 74 74 MET CA C 54.427 0.300 1 804 74 74 MET CB C 34.072 0.300 1 805 74 74 MET CE C 17.039 0.300 1 806 74 74 MET CG C 32.592 0.300 1 807 74 74 MET N N 123.229 0.300 1 808 75 75 ASP H H 8.094 0.030 1 809 75 75 ASP HA H 4.372 0.030 1 810 75 75 ASP HB2 H 2.762 0.030 2 811 75 75 ASP HB3 H 2.702 0.030 2 812 75 75 ASP C C 176.244 0.300 1 813 75 75 ASP CA C 54.971 0.300 1 814 75 75 ASP CB C 39.444 0.300 1 815 75 75 ASP N N 115.597 0.300 1 816 76 76 LEU H H 8.836 0.030 1 817 76 76 LEU HA H 4.259 0.030 1 818 76 76 LEU HB2 H 1.533 0.030 2 819 76 76 LEU HB3 H 1.326 0.030 2 820 76 76 LEU HD1 H 0.152 0.030 1 821 76 76 LEU HD2 H 0.251 0.030 1 822 76 76 LEU HG H 1.293 0.030 1 823 76 76 LEU C C 177.106 0.300 1 824 76 76 LEU CA C 55.444 0.300 1 825 76 76 LEU CB C 40.775 0.300 1 826 76 76 LEU CD1 C 25.679 0.300 2 827 76 76 LEU CD2 C 21.062 0.300 2 828 76 76 LEU CG C 26.482 0.300 1 829 76 76 LEU N N 120.091 0.300 1 830 77 77 ASN H H 8.579 0.030 1 831 77 77 ASN HA H 4.668 0.030 1 832 77 77 ASN HB2 H 2.823 0.030 1 833 77 77 ASN HB3 H 2.823 0.030 1 834 77 77 ASN HD21 H 7.241 0.030 2 835 77 77 ASN HD22 H 7.090 0.030 2 836 77 77 ASN C C 176.342 0.300 1 837 77 77 ASN CA C 52.926 0.300 1 838 77 77 ASN CB C 38.984 0.300 1 839 77 77 ASN N N 118.665 0.300 1 840 77 77 ASN ND2 N 111.733 0.300 1 841 78 78 LEU H H 8.485 0.030 1 842 78 78 LEU HA H 4.204 0.030 1 843 78 78 LEU HB2 H 1.703 0.030 1 844 78 78 LEU HB3 H 1.703 0.030 1 845 78 78 LEU HD1 H 0.927 0.030 1 846 78 78 LEU HD2 H 0.818 0.030 1 847 78 78 LEU HG H 1.698 0.030 1 848 78 78 LEU C C 178.035 0.300 1 849 78 78 LEU CA C 55.144 0.300 1 850 78 78 LEU CB C 42.113 0.300 1 851 78 78 LEU CD1 C 25.873 0.300 2 852 78 78 LEU CD2 C 23.193 0.300 2 853 78 78 LEU CG C 27.224 0.300 1 854 78 78 LEU N N 121.150 0.300 1 855 79 79 ASP H H 8.021 0.030 1 856 79 79 ASP HA H 4.224 0.030 1 857 79 79 ASP HB2 H 2.957 0.030 2 858 79 79 ASP HB3 H 2.040 0.030 2 859 79 79 ASP C C 174.701 0.300 1 860 79 79 ASP CA C 54.504 0.300 1 861 79 79 ASP CB C 40.865 0.300 1 862 79 79 ASP N N 125.824 0.300 1 863 80 80 THR H H 8.298 0.030 1 864 80 80 THR HA H 4.404 0.030 1 865 80 80 THR HB H 3.661 0.030 1 866 80 80 THR HG2 H 0.752 0.030 1 867 80 80 THR C C 171.661 0.300 1 868 80 80 THR CA C 62.434 0.300 1 869 80 80 THR CB C 72.937 0.300 1 870 80 80 THR CG2 C 21.587 0.300 1 871 80 80 THR N N 114.027 0.300 1 872 81 81 MET H H 8.451 0.030 1 873 81 81 MET HA H 4.569 0.030 1 874 81 81 MET HB2 H 1.786 0.030 1 875 81 81 MET HB3 H 1.786 0.030 1 876 81 81 MET HE H 1.989 0.030 1 877 81 81 MET HG2 H 2.210 0.030 2 878 81 81 MET HG3 H 1.990 0.030 2 879 81 81 MET C C 173.266 0.300 1 880 81 81 MET CA C 55.351 0.300 1 881 81 81 MET CB C 32.590 0.300 1 882 81 81 MET CE C 17.076 0.300 1 883 81 81 MET CG C 31.710 0.300 1 884 81 81 MET N N 125.433 0.300 1 885 82 82 TYR H H 9.096 0.030 1 886 82 82 TYR HA H 4.906 0.030 1 887 82 82 TYR HB2 H 2.972 0.030 2 888 82 82 TYR HB3 H 2.548 0.030 2 889 82 82 TYR HD1 H 6.983 0.030 1 890 82 82 TYR HD2 H 6.983 0.030 1 891 82 82 TYR HE1 H 6.886 0.030 1 892 82 82 TYR HE2 H 6.886 0.030 1 893 82 82 TYR C C 173.524 0.300 1 894 82 82 TYR CA C 57.440 0.300 1 895 82 82 TYR CB C 44.418 0.300 1 896 82 82 TYR CD1 C 132.916 0.300 1 897 82 82 TYR CD2 C 132.916 0.300 1 898 82 82 TYR CE1 C 118.199 0.300 1 899 82 82 TYR CE2 C 118.199 0.300 1 900 82 82 TYR N N 125.289 0.300 1 901 83 83 TYR H H 8.420 0.030 1 902 83 83 TYR HA H 5.498 0.030 1 903 83 83 TYR HB2 H 2.612 0.030 2 904 83 83 TYR HB3 H 2.275 0.030 2 905 83 83 TYR HD1 H 6.823 0.030 1 906 83 83 TYR HD2 H 6.823 0.030 1 907 83 83 TYR HE1 H 6.616 0.030 1 908 83 83 TYR HE2 H 6.616 0.030 1 909 83 83 TYR C C 175.387 0.300 1 910 83 83 TYR CA C 55.966 0.300 1 911 83 83 TYR CB C 41.066 0.300 1 912 83 83 TYR CD1 C 133.381 0.300 1 913 83 83 TYR CD2 C 133.381 0.300 1 914 83 83 TYR CE1 C 117.647 0.300 1 915 83 83 TYR CE2 C 117.647 0.300 1 916 83 83 TYR N N 116.637 0.300 1 917 84 84 PHE H H 9.165 0.030 1 918 84 84 PHE HA H 6.045 0.030 1 919 84 84 PHE HB2 H 2.963 0.030 2 920 84 84 PHE HB3 H 2.835 0.030 2 921 84 84 PHE HD1 H 7.153 0.030 1 922 84 84 PHE HD2 H 7.153 0.030 1 923 84 84 PHE HE1 H 6.834 0.030 1 924 84 84 PHE HE2 H 6.834 0.030 1 925 84 84 PHE HZ H 6.443 0.030 1 926 84 84 PHE C C 176.328 0.300 1 927 84 84 PHE CA C 56.654 0.300 1 928 84 84 PHE CB C 43.718 0.300 1 929 84 84 PHE CD1 C 131.861 0.300 1 930 84 84 PHE CD2 C 131.861 0.300 1 931 84 84 PHE CE1 C 130.996 0.300 1 932 84 84 PHE CE2 C 130.996 0.300 1 933 84 84 PHE CZ C 127.890 0.300 1 934 84 84 PHE N N 117.094 0.300 1 935 85 85 ARG H H 9.785 0.030 1 936 85 85 ARG HA H 4.443 0.030 1 937 85 85 ARG HB2 H 1.889 0.030 2 938 85 85 ARG HB3 H 1.352 0.030 2 939 85 85 ARG HD2 H 2.918 0.030 2 940 85 85 ARG HD3 H 2.205 0.030 2 941 85 85 ARG HE H 7.035 0.030 1 942 85 85 ARG HG2 H 1.929 0.030 2 943 85 85 ARG HG3 H 1.428 0.030 2 944 85 85 ARG C C 172.828 0.300 1 945 85 85 ARG CA C 55.834 0.300 1 946 85 85 ARG CB C 37.453 0.300 1 947 85 85 ARG CD C 44.172 0.300 1 948 85 85 ARG CG C 27.796 0.300 1 949 85 85 ARG N N 117.282 0.300 1 950 85 85 ARG NE N 81.854 0.300 1 951 86 86 ILE H H 8.555 0.030 1 952 86 86 ILE HA H 5.768 0.030 1 953 86 86 ILE HB H 1.393 0.030 1 954 86 86 ILE HD1 H -0.841 0.030 1 955 86 86 ILE HG12 H 1.245 0.030 2 956 86 86 ILE HG13 H 0.663 0.030 2 957 86 86 ILE HG2 H 0.699 0.030 1 958 86 86 ILE C C 172.313 0.300 1 959 86 86 ILE CA C 58.944 0.300 1 960 86 86 ILE CB C 43.316 0.300 1 961 86 86 ILE CD1 C 12.102 0.300 1 962 86 86 ILE CG1 C 28.124 0.300 1 963 86 86 ILE CG2 C 15.704 0.300 1 964 86 86 ILE N N 118.755 0.300 1 965 87 87 GLN H H 8.906 0.030 1 966 87 87 GLN HA H 4.888 0.030 1 967 87 87 GLN HB2 H 1.921 0.030 2 968 87 87 GLN HB3 H 2.056 0.030 2 969 87 87 GLN HE21 H 6.605 0.030 2 970 87 87 GLN HE22 H 7.444 0.030 2 971 87 87 GLN HG2 H 2.329 0.030 2 972 87 87 GLN HG3 H 2.058 0.030 2 973 87 87 GLN C C 172.546 0.300 1 974 87 87 GLN CA C 54.038 0.300 1 975 87 87 GLN CB C 33.992 0.300 1 976 87 87 GLN CG C 33.493 0.300 1 977 87 87 GLN N N 124.540 0.300 1 978 87 87 GLN NE2 N 109.453 0.300 1 979 88 88 ALA H H 8.819 0.030 1 980 88 88 ALA HA H 5.133 0.030 1 981 88 88 ALA HB H 1.383 0.030 1 982 88 88 ALA C C 174.253 0.300 1 983 88 88 ALA CA C 50.080 0.300 1 984 88 88 ALA CB C 23.512 0.300 1 985 88 88 ALA N N 123.633 0.300 1 986 89 89 ARG H H 8.625 0.030 1 987 89 89 ARG HA H 5.002 0.030 1 988 89 89 ARG HB2 H 1.677 0.030 2 989 89 89 ARG HB3 H 1.592 0.030 2 990 89 89 ARG HD2 H 3.045 0.030 2 991 89 89 ARG HD3 H 2.889 0.030 2 992 89 89 ARG HG2 H 1.605 0.030 2 993 89 89 ARG HG3 H 1.423 0.030 2 994 89 89 ARG C C 174.889 0.300 1 995 89 89 ARG CA C 54.625 0.300 1 996 89 89 ARG CB C 35.091 0.300 1 997 89 89 ARG CD C 43.752 0.300 1 998 89 89 ARG CG C 27.021 0.300 1 999 89 89 ARG N N 119.444 0.300 1 1000 90 90 ASN H H 8.749 0.030 1 1001 90 90 ASN HA H 5.273 0.030 1 1002 90 90 ASN HB2 H 3.483 0.030 2 1003 90 90 ASN HB3 H 2.500 0.030 2 1004 90 90 ASN HD21 H 6.983 0.030 2 1005 90 90 ASN HD22 H 7.327 0.030 2 1006 90 90 ASN C C 175.779 0.300 1 1007 90 90 ASN CA C 51.637 0.300 1 1008 90 90 ASN CB C 40.806 0.300 1 1009 90 90 ASN N N 121.924 0.300 1 1010 90 90 ASN ND2 N 110.449 0.300 1 1011 91 91 SER HA H 4.188 0.030 1 1012 91 91 SER HB2 H 3.998 0.030 2 1013 91 91 SER HB3 H 3.923 0.030 2 1014 91 91 SER C C 174.934 0.300 1 1015 91 91 SER CA C 61.617 0.300 1 1016 91 91 SER CB C 62.935 0.300 1 1017 92 92 LYS H H 8.285 0.030 1 1018 92 92 LYS HA H 4.417 0.030 1 1019 92 92 LYS HB2 H 1.607 0.030 2 1020 92 92 LYS HB3 H 1.759 0.030 2 1021 92 92 LYS HE2 H 2.967 0.030 2 1022 92 92 LYS HG2 H 1.291 0.030 1 1023 92 92 LYS HG3 H 1.291 0.030 1 1024 92 92 LYS C C 176.843 0.300 1 1025 92 92 LYS CA C 55.530 0.300 1 1026 92 92 LYS CB C 32.991 0.300 1 1027 92 92 LYS CD C 28.209 0.300 1 1028 92 92 LYS CE C 42.361 0.300 1 1029 92 92 LYS CG C 24.662 0.300 1 1030 92 92 LYS N N 119.422 0.300 1 1031 93 93 GLY H H 7.749 0.030 1 1032 93 93 GLY HA2 H 4.300 0.030 2 1033 93 93 GLY HA3 H 4.020 0.030 2 1034 93 93 GLY C C 170.847 0.300 1 1035 93 93 GLY CA C 45.693 0.300 1 1036 93 93 GLY N N 106.556 0.300 1 1037 94 94 VAL H H 8.387 0.030 1 1038 94 94 VAL HA H 4.695 0.030 1 1039 94 94 VAL HB H 2.011 0.030 1 1040 94 94 VAL HG1 H 0.920 0.030 1 1041 94 94 VAL HG2 H 0.898 0.030 1 1042 94 94 VAL C C 176.254 0.300 1 1043 94 94 VAL CA C 60.496 0.300 1 1044 94 94 VAL CB C 34.026 0.300 1 1045 94 94 VAL CG1 C 20.921 0.300 2 1046 94 94 VAL CG2 C 20.244 0.300 2 1047 94 94 VAL N N 115.798 0.300 1 1048 95 95 GLY H H 8.637 0.030 1 1049 95 95 GLY HA2 H 3.756 0.030 2 1050 95 95 GLY HA3 H 4.625 0.030 2 1051 95 95 GLY C C 171.557 0.300 1 1052 95 95 GLY CA C 45.543 0.300 1 1053 95 95 GLY N N 112.309 0.300 1 1054 96 96 PRO HA H 4.440 0.030 1 1055 96 96 PRO HB2 H 2.255 0.030 2 1056 96 96 PRO HB3 H 1.750 0.030 2 1057 96 96 PRO HD2 H 3.448 0.030 2 1058 96 96 PRO HD3 H 2.977 0.030 2 1059 96 96 PRO HG2 H 1.814 0.030 2 1060 96 96 PRO HG3 H 1.524 0.030 2 1061 96 96 PRO C C 177.526 0.300 1 1062 96 96 PRO CA C 62.158 0.300 1 1063 96 96 PRO CB C 32.625 0.300 1 1064 96 96 PRO CD C 49.479 0.300 1 1065 96 96 PRO CG C 27.001 0.300 1 1066 97 97 LEU H H 8.401 0.030 1 1067 97 97 LEU HA H 4.370 0.030 1 1068 97 97 LEU HB2 H 1.496 0.030 2 1069 97 97 LEU HB3 H 1.300 0.030 2 1070 97 97 LEU HD1 H 0.420 0.030 1 1071 97 97 LEU HD2 H 0.308 0.030 1 1072 97 97 LEU HG H 1.440 0.030 1 1073 97 97 LEU C C 178.782 0.300 1 1074 97 97 LEU CA C 54.889 0.300 1 1075 97 97 LEU CB C 44.097 0.300 1 1076 97 97 LEU CD1 C 25.520 0.300 2 1077 97 97 LEU CD2 C 25.128 0.300 2 1078 97 97 LEU CG C 27.337 0.300 1 1079 97 97 LEU N N 120.428 0.300 1 1080 98 98 SER H H 9.098 0.030 1 1081 98 98 SER HA H 4.264 0.030 1 1082 98 98 SER HB2 H 4.610 0.030 2 1083 98 98 SER HB3 H 3.998 0.030 2 1084 98 98 SER C C 173.889 0.300 1 1085 98 98 SER CA C 58.432 0.300 1 1086 98 98 SER CB C 65.391 0.300 1 1087 98 98 SER N N 117.183 0.300 1 1088 99 99 ASP H H 8.981 0.030 1 1089 99 99 ASP HA H 4.851 0.030 1 1090 99 99 ASP HB2 H 2.883 0.030 2 1091 99 99 ASP HB3 H 2.614 0.030 2 1092 99 99 ASP C C 175.129 0.300 1 1093 99 99 ASP CA C 54.166 0.300 1 1094 99 99 ASP CB C 39.031 0.300 1 1095 99 99 ASP N N 123.538 0.300 1 1096 100 100 PRO HA H 5.427 0.030 1 1097 100 100 PRO HB2 H 2.184 0.030 2 1098 100 100 PRO HB3 H 2.099 0.030 2 1099 100 100 PRO HD2 H 3.864 0.030 2 1100 100 100 PRO HD3 H 3.725 0.030 2 1101 100 100 PRO HG2 H 2.083 0.030 2 1102 100 100 PRO HG3 H 2.362 0.030 2 1103 100 100 PRO C C 176.915 0.300 1 1104 100 100 PRO CA C 62.654 0.300 1 1105 100 100 PRO CB C 32.155 0.300 1 1106 100 100 PRO CD C 50.294 0.300 1 1107 100 100 PRO CG C 27.491 0.300 1 1108 101 101 ILE H H 9.195 0.030 1 1109 101 101 ILE HA H 4.774 0.030 1 1110 101 101 ILE HB H 2.018 0.030 1 1111 101 101 ILE HD1 H 0.911 0.030 1 1112 101 101 ILE HG12 H 1.507 0.030 2 1113 101 101 ILE HG2 H 1.008 0.030 1 1114 101 101 ILE C C 174.405 0.300 1 1115 101 101 ILE CA C 58.373 0.300 1 1116 101 101 ILE CB C 40.137 0.300 1 1117 101 101 ILE CD1 C 12.382 0.300 1 1118 101 101 ILE CG1 C 27.304 0.300 1 1119 101 101 ILE CG2 C 18.266 0.300 1 1120 101 101 ILE N N 121.595 0.300 1 1121 102 102 LEU H H 8.472 0.030 1 1122 102 102 LEU HA H 5.111 0.030 1 1123 102 102 LEU HB2 H 1.825 0.030 2 1124 102 102 LEU HB3 H 1.492 0.030 2 1125 102 102 LEU HD1 H 0.898 0.030 1 1126 102 102 LEU HD2 H 0.830 0.030 1 1127 102 102 LEU HG H 1.484 0.030 1 1128 102 102 LEU C C 176.669 0.300 1 1129 102 102 LEU CA C 54.737 0.300 1 1130 102 102 LEU CB C 43.644 0.300 1 1131 102 102 LEU CD1 C 26.170 0.300 2 1132 102 102 LEU CD2 C 23.674 0.300 2 1133 102 102 LEU CG C 29.183 0.300 1 1134 102 102 LEU N N 127.445 0.300 1 1135 103 103 PHE H H 9.341 0.030 1 1136 103 103 PHE HA H 4.506 0.030 1 1137 103 103 PHE HB2 H 2.805 0.030 1 1138 103 103 PHE HB3 H 2.805 0.030 1 1139 103 103 PHE HD1 H 6.980 0.030 1 1140 103 103 PHE HD2 H 6.980 0.030 1 1141 103 103 PHE HE1 H 7.113 0.030 1 1142 103 103 PHE HE2 H 7.113 0.030 1 1143 103 103 PHE HZ H 7.222 0.030 1 1144 103 103 PHE C C 171.671 0.300 1 1145 103 103 PHE CA C 58.620 0.300 1 1146 103 103 PHE CB C 43.812 0.300 1 1147 103 103 PHE CD1 C 131.226 0.300 1 1148 103 103 PHE CD2 C 131.226 0.300 1 1149 103 103 PHE CE1 C 131.439 0.300 1 1150 103 103 PHE CE2 C 131.439 0.300 1 1151 103 103 PHE CZ C 129.629 0.300 1 1152 103 103 PHE N N 126.028 0.300 1 1153 104 104 ARG H H 7.646 0.030 1 1154 104 104 ARG HA H 5.150 0.030 1 1155 104 104 ARG HB2 H 1.474 0.030 2 1156 104 104 ARG HB3 H 1.330 0.030 2 1157 104 104 ARG HD2 H 3.050 0.030 2 1158 104 104 ARG HD3 H 2.977 0.030 2 1159 104 104 ARG HG2 H 1.051 0.030 2 1160 104 104 ARG HG3 H 1.672 0.030 2 1161 104 104 ARG C C 175.227 0.300 1 1162 104 104 ARG CA C 53.578 0.300 1 1163 104 104 ARG CB C 31.957 0.300 1 1164 104 104 ARG CD C 43.636 0.300 1 1165 104 104 ARG CG C 28.058 0.300 1 1166 104 104 ARG N N 129.661 0.300 1 1167 105 105 THR H H 8.608 0.030 1 1168 105 105 THR HA H 4.287 0.030 1 1169 105 105 THR HB H 4.624 0.030 1 1170 105 105 THR HG2 H 1.492 0.030 1 1171 105 105 THR C C 175.323 0.300 1 1172 105 105 THR CA C 60.673 0.300 1 1173 105 105 THR CB C 70.668 0.300 1 1174 105 105 THR CG2 C 23.743 0.300 1 1175 105 105 THR N N 116.333 0.300 1 1176 106 106 LEU H H 8.467 0.030 1 1177 106 106 LEU HA H 4.161 0.030 1 1178 106 106 LEU HB2 H 1.676 0.030 1 1179 106 106 LEU HB3 H 1.676 0.030 1 1180 106 106 LEU HD1 H 0.995 0.030 1 1181 106 106 LEU HD2 H 0.920 0.030 1 1182 106 106 LEU HG H 1.852 0.030 1 1183 106 106 LEU C C 176.450 0.300 1 1184 106 106 LEU CA C 55.210 0.300 1 1185 106 106 LEU CB C 43.134 0.300 1 1186 106 106 LEU CD1 C 25.404 0.300 2 1187 106 106 LEU CD2 C 23.193 0.300 2 1188 106 106 LEU CG C 27.247 0.300 1 1189 106 106 LEU N N 119.249 0.300 1 1190 107 107 LYS H H 7.926 0.030 1 1191 107 107 LYS HA H 4.380 0.030 1 1192 107 107 LYS HB2 H 1.809 0.030 2 1193 107 107 LYS HB3 H 1.648 0.030 2 1194 107 107 LYS HD2 H 1.619 0.030 2 1195 107 107 LYS HE2 H 2.931 0.030 1 1196 107 107 LYS HE3 H 2.931 0.030 1 1197 107 107 LYS HG2 H 1.370 0.030 2 1198 107 107 LYS HG3 H 1.294 0.030 2 1199 107 107 LYS C C 176.398 0.300 1 1200 107 107 LYS CA C 56.311 0.300 1 1201 107 107 LYS CB C 34.295 0.300 1 1202 107 107 LYS CD C 29.523 0.300 1 1203 107 107 LYS CE C 42.141 0.300 1 1204 107 107 LYS CG C 25.222 0.300 1 1205 107 107 LYS N N 118.132 0.300 1 1206 108 108 VAL H H 7.993 0.030 1 1207 108 108 VAL HA H 4.185 0.030 1 1208 108 108 VAL HB H 2.058 0.030 1 1209 108 108 VAL HG1 H 0.919 0.030 1 1210 108 108 VAL C C 175.619 0.300 1 1211 108 108 VAL CA C 61.805 0.300 1 1212 108 108 VAL CB C 33.441 0.300 1 1213 108 108 VAL CG1 C 20.925 0.300 2 1214 108 108 VAL N N 119.774 0.300 1 1215 109 109 SER H H 8.436 0.030 1 1216 109 109 SER HA H 4.493 0.030 1 1217 109 109 SER HB2 H 3.845 0.030 1 1218 109 109 SER HB3 H 3.845 0.030 1 1219 109 109 SER C C 174.435 0.300 1 1220 109 109 SER CA C 58.180 0.300 1 1221 109 109 SER CB C 64.105 0.300 1 1222 109 109 SER N N 119.611 0.300 1 1223 110 110 GLY H H 8.247 0.030 1 1224 110 110 GLY HA2 H 4.153 0.030 2 1225 110 110 GLY HA3 H 4.109 0.030 2 1226 110 110 GLY C C 171.647 0.300 1 1227 110 110 GLY CA C 44.670 0.300 1 1228 110 110 GLY N N 110.962 0.300 1 1229 111 111 PRO HA H 4.476 0.030 1 1230 111 111 PRO HB2 H 2.297 0.030 2 1231 111 111 PRO HB3 H 1.974 0.030 2 1232 111 111 PRO HD2 H 3.624 0.030 1 1233 111 111 PRO HD3 H 3.624 0.030 1 1234 111 111 PRO HG2 H 2.016 0.030 1 1235 111 111 PRO HG3 H 2.016 0.030 1 1236 111 111 PRO C C 177.384 0.300 1 1237 111 111 PRO CA C 63.204 0.300 1 1238 111 111 PRO CB C 32.205 0.300 1 1239 111 111 PRO CD C 49.765 0.300 1 1240 111 111 PRO CG C 27.178 0.300 1 1241 112 112 SER H H 8.537 0.030 1 1242 112 112 SER HA H 4.506 0.030 1 1243 112 112 SER HB2 H 3.911 0.030 2 1244 112 112 SER C C 174.566 0.300 1 1245 112 112 SER CA C 58.371 0.300 1 1246 112 112 SER CB C 63.789 0.300 1 1247 112 112 SER N N 116.420 0.300 1 1248 113 113 SER H H 8.336 0.030 1 1249 113 113 SER HA H 4.517 0.030 1 1250 113 113 SER HB2 H 3.878 0.030 2 1251 113 113 SER C C 173.928 0.300 1 1252 113 113 SER CA C 58.404 0.300 1 1253 113 113 SER CB C 64.037 0.300 1 1254 113 113 SER N N 117.819 0.300 1 1255 114 114 GLY H H 8.050 0.030 1 1256 114 114 GLY C C 178.998 0.300 1 1257 114 114 GLY CA C 46.221 0.300 1 1258 114 114 GLY N N 116.855 0.300 1 stop_ save_