data_11225 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SH3 domain of human SLIT-ROBO Rho GTPase-activating protein 2 ; _BMRB_accession_number 11225 _BMRB_flat_file_name bmr11225.str _Entry_type original _Submission_date 2010-07-23 _Accession_date 2010-07-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qin X. . . 2 Hayashi F. . . 3 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 392 "13C chemical shifts" 296 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the SH3 domain of human SLIT-ROBO Rho GTPase-activating protein 2 ; _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 Qin X. . . 2 Hayashi F. . . 3 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SLIT-ROBO Rho GTPase-activating protein 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH3 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 'SH3 domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; GSSGSSGEPIEAIAKFDYVG RTARELSFKKGASLLLYQRA SDDWWEGRHNGIDGLIPHQY IVVQDTSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 PRO 10 ILE 11 GLU 12 ALA 13 ILE 14 ALA 15 LYS 16 PHE 17 ASP 18 TYR 19 VAL 20 GLY 21 ARG 22 THR 23 ALA 24 ARG 25 GLU 26 LEU 27 SER 28 PHE 29 LYS 30 LYS 31 GLY 32 ALA 33 SER 34 LEU 35 LEU 36 LEU 37 TYR 38 GLN 39 ARG 40 ALA 41 SER 42 ASP 43 ASP 44 TRP 45 TRP 46 GLU 47 GLY 48 ARG 49 HIS 50 ASN 51 GLY 52 ILE 53 ASP 54 GLY 55 LEU 56 ILE 57 PRO 58 HIS 59 GLN 60 TYR 61 ILE 62 VAL 63 VAL 64 GLN 65 ASP 66 THR 67 SER 68 GLY 69 PRO 70 SER 71 SER 72 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 2DL8 "Solution Structure Of The Sh3 Domain Of Human Slit-Robo Rho Gtpase-Activating Protein 2" 100.00 72 100.00 100.00 1.14e-43 GB AAC52480 "FBP 27, partial [Mus musculus]" 70.83 51 100.00 100.00 7.42e-29 REF XP_003410318 "PREDICTED: SLIT-ROBO Rho GTPase-activating protein 2 isoform X3 [Loxodonta africana]" 81.94 1071 100.00 100.00 4.86e-33 REF XP_004375268 "PREDICTED: SLIT-ROBO Rho GTPase-activating protein 2 isoform X1 [Trichechus manatus latirostris]" 81.94 1071 100.00 100.00 4.49e-33 REF XP_004375269 "PREDICTED: SLIT-ROBO Rho GTPase-activating protein 2 isoform X3 [Trichechus manatus latirostris]" 81.94 789 100.00 100.00 8.00e-34 REF XP_004610117 "PREDICTED: SLIT-ROBO Rho GTPase-activating protein 2 isoform X1 [Sorex araneus]" 81.94 1068 98.31 98.31 2.12e-32 REF XP_004610118 "PREDICTED: SLIT-ROBO Rho GTPase-activating protein 2 isoform X2 [Sorex araneus]" 81.94 1067 98.31 98.31 2.12e-32 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 P050815-19 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.24mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3, 90% {H2O;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.24 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9296 loop_ _Vendor _Address _Electronic_address 'Kobayashi N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # 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 $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'SH3 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER H H 8.255 0.030 1 2 6 6 SER HA H 4.530 0.030 1 3 6 6 SER HB2 H 3.936 0.030 1 4 6 6 SER HB3 H 3.936 0.030 1 5 6 6 SER C C 174.933 0.300 1 6 6 6 SER CA C 58.760 0.300 1 7 6 6 SER CB C 63.807 0.300 1 8 6 6 SER N N 115.824 0.300 1 9 7 7 GLY H H 8.422 0.030 1 10 7 7 GLY HA2 H 4.060 0.030 1 11 7 7 GLY HA3 H 4.060 0.030 1 12 7 7 GLY C C 173.847 0.300 1 13 7 7 GLY CA C 45.133 0.300 1 14 7 7 GLY N N 110.809 0.300 1 15 8 8 GLU H H 8.246 0.030 1 16 8 8 GLU HA H 4.680 0.030 1 17 8 8 GLU HB2 H 2.109 0.030 2 18 8 8 GLU HB3 H 1.920 0.030 2 19 8 8 GLU HG2 H 2.346 0.030 2 20 8 8 GLU HG3 H 2.320 0.030 2 21 8 8 GLU C C 174.362 0.300 1 22 8 8 GLU CA C 54.288 0.300 1 23 8 8 GLU CB C 29.649 0.300 1 24 8 8 GLU CG C 35.994 0.300 1 25 8 8 GLU N N 121.851 0.300 1 26 9 9 PRO HA H 4.763 0.030 1 27 9 9 PRO HB2 H 1.945 0.030 2 28 9 9 PRO HB3 H 1.714 0.030 2 29 9 9 PRO HD2 H 3.745 0.030 2 30 9 9 PRO HD3 H 3.902 0.030 2 31 9 9 PRO HG2 H 2.064 0.030 1 32 9 9 PRO HG3 H 2.064 0.030 1 33 9 9 PRO C C 176.174 0.300 1 34 9 9 PRO CA C 62.999 0.300 1 35 9 9 PRO CB C 32.664 0.300 1 36 9 9 PRO CD C 50.546 0.300 1 37 9 9 PRO CG C 27.312 0.300 1 38 10 10 ILE H H 8.501 0.030 1 39 10 10 ILE HA H 4.252 0.030 1 40 10 10 ILE HB H 1.639 0.030 1 41 10 10 ILE HD1 H 0.904 0.030 1 42 10 10 ILE HG12 H 1.575 0.030 2 43 10 10 ILE HG13 H 1.093 0.030 2 44 10 10 ILE HG2 H 0.835 0.030 1 45 10 10 ILE C C 175.114 0.300 1 46 10 10 ILE CA C 60.369 0.300 1 47 10 10 ILE CB C 40.899 0.300 1 48 10 10 ILE CD1 C 13.842 0.300 1 49 10 10 ILE CG1 C 27.413 0.300 1 50 10 10 ILE CG2 C 18.028 0.300 1 51 10 10 ILE N N 121.074 0.300 1 52 11 11 GLU H H 8.492 0.030 1 53 11 11 GLU HA H 4.650 0.030 1 54 11 11 GLU HB2 H 2.001 0.030 2 55 11 11 GLU HB3 H 1.859 0.030 2 56 11 11 GLU HG2 H 2.253 0.030 2 57 11 11 GLU HG3 H 2.121 0.030 2 58 11 11 GLU C C 174.898 0.300 1 59 11 11 GLU CA C 56.252 0.300 1 60 11 11 GLU CB C 30.998 0.300 1 61 11 11 GLU CG C 36.812 0.300 1 62 11 11 GLU N N 125.030 0.300 1 63 12 12 ALA H H 8.557 0.030 1 64 12 12 ALA HA H 4.892 0.030 1 65 12 12 ALA HB H 0.915 0.030 1 66 12 12 ALA C C 174.897 0.300 1 67 12 12 ALA CA C 50.028 0.300 1 68 12 12 ALA CB C 24.022 0.300 1 69 12 12 ALA N N 123.926 0.300 1 70 13 13 ILE H H 8.201 0.030 1 71 13 13 ILE HA H 5.098 0.030 1 72 13 13 ILE HB H 1.486 0.030 1 73 13 13 ILE HD1 H 0.713 0.030 1 74 13 13 ILE HG12 H 1.271 0.030 2 75 13 13 ILE HG13 H 1.040 0.030 2 76 13 13 ILE HG2 H 0.722 0.030 1 77 13 13 ILE C C 176.044 0.300 1 78 13 13 ILE CA C 57.781 0.300 1 79 13 13 ILE CB C 41.209 0.300 1 80 13 13 ILE CD1 C 12.144 0.300 1 81 13 13 ILE CG1 C 27.186 0.300 1 82 13 13 ILE CG2 C 17.144 0.300 1 83 13 13 ILE N N 118.419 0.300 1 84 14 14 ALA H H 8.509 0.030 1 85 14 14 ALA HA H 4.419 0.030 1 86 14 14 ALA HB H 1.582 0.030 1 87 14 14 ALA C C 178.508 0.300 1 88 14 14 ALA CA C 52.380 0.300 1 89 14 14 ALA CB C 21.333 0.300 1 90 14 14 ALA N N 126.677 0.300 1 91 15 15 LYS H H 9.451 0.030 1 92 15 15 LYS HA H 3.830 0.030 1 93 15 15 LYS HB2 H 1.103 0.030 2 94 15 15 LYS HB3 H 1.018 0.030 2 95 15 15 LYS HD2 H 1.271 0.030 1 96 15 15 LYS HD3 H 1.271 0.030 1 97 15 15 LYS HE2 H 2.672 0.030 1 98 15 15 LYS HE3 H 2.672 0.030 1 99 15 15 LYS HG2 H 0.769 0.030 2 100 15 15 LYS HG3 H 0.458 0.030 2 101 15 15 LYS C C 173.961 0.300 1 102 15 15 LYS CA C 57.392 0.300 1 103 15 15 LYS CB C 34.714 0.300 1 104 15 15 LYS CD C 29.399 0.300 1 105 15 15 LYS CE C 41.687 0.300 1 106 15 15 LYS CG C 24.659 0.300 1 107 15 15 LYS N N 128.004 0.300 1 108 16 16 PHE H H 7.395 0.030 1 109 16 16 PHE HA H 4.976 0.030 1 110 16 16 PHE HB2 H 2.836 0.030 2 111 16 16 PHE HB3 H 3.607 0.030 2 112 16 16 PHE HD1 H 7.097 0.030 1 113 16 16 PHE HD2 H 7.097 0.030 1 114 16 16 PHE HE1 H 7.237 0.030 1 115 16 16 PHE HE2 H 7.237 0.030 1 116 16 16 PHE HZ H 7.237 0.030 1 117 16 16 PHE C C 173.556 0.300 1 118 16 16 PHE CA C 54.194 0.300 1 119 16 16 PHE CB C 44.417 0.300 1 120 16 16 PHE CD1 C 132.338 0.300 1 121 16 16 PHE CD2 C 132.338 0.300 1 122 16 16 PHE CE1 C 130.766 0.300 1 123 16 16 PHE CE2 C 130.766 0.300 1 124 16 16 PHE CZ C 129.379 0.300 1 125 16 16 PHE N N 111.644 0.300 1 126 17 17 ASP H H 8.468 0.030 1 127 17 17 ASP HA H 4.744 0.030 1 128 17 17 ASP HB2 H 2.699 0.030 2 129 17 17 ASP HB3 H 2.638 0.030 2 130 17 17 ASP C C 175.882 0.300 1 131 17 17 ASP CA C 54.705 0.300 1 132 17 17 ASP CB C 41.789 0.300 1 133 17 17 ASP N N 117.937 0.300 1 134 18 18 TYR H H 8.694 0.030 1 135 18 18 TYR HA H 4.318 0.030 1 136 18 18 TYR HB2 H 2.088 0.030 2 137 18 18 TYR HB3 H 0.979 0.030 2 138 18 18 TYR HD1 H 6.534 0.030 1 139 18 18 TYR HD2 H 6.534 0.030 1 140 18 18 TYR HE1 H 6.759 0.030 1 141 18 18 TYR HE2 H 6.759 0.030 1 142 18 18 TYR C C 173.683 0.300 1 143 18 18 TYR CA C 58.855 0.300 1 144 18 18 TYR CB C 42.612 0.300 1 145 18 18 TYR CD1 C 133.011 0.300 1 146 18 18 TYR CD2 C 133.011 0.300 1 147 18 18 TYR CE1 C 117.318 0.300 1 148 18 18 TYR CE2 C 117.318 0.300 1 149 18 18 TYR N N 120.107 0.300 1 150 19 19 VAL H H 6.847 0.030 1 151 19 19 VAL HA H 3.788 0.030 1 152 19 19 VAL HB H 1.527 0.030 1 153 19 19 VAL HG1 H 0.720 0.030 1 154 19 19 VAL HG2 H 0.729 0.030 1 155 19 19 VAL C C 174.257 0.300 1 156 19 19 VAL CA C 60.437 0.300 1 157 19 19 VAL CB C 32.588 0.300 1 158 19 19 VAL CG1 C 20.653 0.300 2 159 19 19 VAL CG2 C 20.778 0.300 2 160 19 19 VAL N N 128.552 0.300 1 161 20 20 GLY H H 8.431 0.030 1 162 20 20 GLY HA2 H 3.373 0.030 2 163 20 20 GLY HA3 H 3.985 0.030 2 164 20 20 GLY C C 175.071 0.300 1 165 20 20 GLY CA C 46.594 0.300 1 166 20 20 GLY N N 113.506 0.300 1 167 21 21 ARG H H 8.796 0.030 1 168 21 21 ARG HA H 4.237 0.030 1 169 21 21 ARG HB2 H 2.027 0.030 1 170 21 21 ARG HB3 H 2.027 0.030 1 171 21 21 ARG HD2 H 3.317 0.030 1 172 21 21 ARG HD3 H 3.317 0.030 1 173 21 21 ARG HG2 H 1.720 0.030 2 174 21 21 ARG HG3 H 1.904 0.030 2 175 21 21 ARG C C 176.834 0.300 1 176 21 21 ARG CA C 56.899 0.300 1 177 21 21 ARG CB C 31.937 0.300 1 178 21 21 ARG CD C 43.421 0.300 1 179 21 21 ARG CG C 27.264 0.300 1 180 21 21 ARG N N 123.345 0.300 1 181 22 22 THR H H 7.165 0.030 1 182 22 22 THR HA H 4.568 0.030 1 183 22 22 THR HB H 4.376 0.030 1 184 22 22 THR HG2 H 1.145 0.030 1 185 22 22 THR C C 175.485 0.300 1 186 22 22 THR CA C 59.560 0.300 1 187 22 22 THR CB C 72.187 0.300 1 188 22 22 THR CG2 C 21.183 0.300 1 189 22 22 THR N N 106.931 0.300 1 190 23 23 ALA H H 8.620 0.030 1 191 23 23 ALA HA H 4.149 0.030 1 192 23 23 ALA HB H 1.466 0.030 1 193 23 23 ALA C C 178.246 0.300 1 194 23 23 ALA CA C 54.884 0.300 1 195 23 23 ALA CB C 18.832 0.300 1 196 24 24 ARG H H 7.987 0.030 1 197 24 24 ARG HA H 4.361 0.030 1 198 24 24 ARG HB2 H 1.707 0.030 2 199 24 24 ARG HB3 H 1.952 0.030 2 200 24 24 ARG HD2 H 3.266 0.030 2 201 24 24 ARG HD3 H 3.131 0.030 2 202 24 24 ARG HG2 H 1.629 0.030 2 203 24 24 ARG HG3 H 1.717 0.030 2 204 24 24 ARG C C 176.799 0.300 1 205 24 24 ARG CA C 56.752 0.300 1 206 24 24 ARG CB C 30.687 0.300 1 207 24 24 ARG CD C 43.062 0.300 1 208 24 24 ARG CG C 28.316 0.300 1 209 24 24 ARG N N 113.582 0.300 1 210 25 25 GLU H H 7.497 0.030 1 211 25 25 GLU HA H 4.588 0.030 1 212 25 25 GLU HB2 H 2.032 0.030 2 213 25 25 GLU HB3 H 2.624 0.030 2 214 25 25 GLU HG2 H 2.178 0.030 2 215 25 25 GLU HG3 H 2.049 0.030 2 216 25 25 GLU C C 176.250 0.300 1 217 25 25 GLU CA C 56.179 0.300 1 218 25 25 GLU CB C 32.427 0.300 1 219 25 25 GLU CG C 36.940 0.300 1 220 25 25 GLU N N 118.578 0.300 1 221 26 26 LEU H H 8.775 0.030 1 222 26 26 LEU HA H 4.571 0.030 1 223 26 26 LEU HB2 H 1.608 0.030 2 224 26 26 LEU HB3 H 1.922 0.030 2 225 26 26 LEU HD1 H 0.953 0.030 1 226 26 26 LEU HD2 H 0.978 0.030 1 227 26 26 LEU HG H 1.636 0.030 1 228 26 26 LEU C C 174.666 0.300 1 229 26 26 LEU CA C 54.452 0.300 1 230 26 26 LEU CB C 43.084 0.300 1 231 26 26 LEU CD1 C 26.054 0.300 2 232 26 26 LEU CD2 C 22.615 0.300 2 233 26 26 LEU CG C 27.350 0.300 1 234 26 26 LEU N N 123.619 0.300 1 235 27 27 SER H H 7.762 0.030 1 236 27 27 SER HA H 4.865 0.030 1 237 27 27 SER HB2 H 3.942 0.030 2 238 27 27 SER HB3 H 3.727 0.030 2 239 27 27 SER C C 173.606 0.300 1 240 27 27 SER CA C 57.156 0.300 1 241 27 27 SER CB C 65.167 0.300 1 242 27 27 SER N N 111.132 0.300 1 243 28 28 PHE H H 8.291 0.030 1 244 28 28 PHE HA H 4.696 0.030 1 245 28 28 PHE HB2 H 2.300 0.030 2 246 28 28 PHE HB3 H 2.400 0.030 2 247 28 28 PHE HD1 H 6.640 0.030 1 248 28 28 PHE HD2 H 6.640 0.030 1 249 28 28 PHE HE1 H 7.351 0.030 1 250 28 28 PHE HE2 H 7.351 0.030 1 251 28 28 PHE HZ H 6.705 0.030 1 252 28 28 PHE C C 173.509 0.300 1 253 28 28 PHE CA C 55.688 0.300 1 254 28 28 PHE CB C 39.179 0.300 1 255 28 28 PHE CD1 C 132.794 0.300 1 256 28 28 PHE CD2 C 132.794 0.300 1 257 28 28 PHE CE1 C 130.854 0.300 1 258 28 28 PHE CE2 C 130.854 0.300 1 259 28 28 PHE CZ C 128.386 0.300 1 260 28 28 PHE N N 117.181 0.300 1 261 29 29 LYS H H 8.503 0.030 1 262 29 29 LYS HA H 4.883 0.030 1 263 29 29 LYS HB2 H 1.763 0.030 2 264 29 29 LYS HB3 H 1.926 0.030 2 265 29 29 LYS HD2 H 1.699 0.030 2 266 29 29 LYS HD3 H 1.653 0.030 2 267 29 29 LYS HE2 H 3.050 0.030 2 268 29 29 LYS HE3 H 3.001 0.030 2 269 29 29 LYS HG2 H 1.479 0.030 2 270 29 29 LYS HG3 H 1.531 0.030 2 271 29 29 LYS C C 175.888 0.300 1 272 29 29 LYS CA C 53.446 0.300 1 273 29 29 LYS CB C 34.732 0.300 1 274 29 29 LYS CD C 28.455 0.300 1 275 29 29 LYS CE C 42.156 0.300 1 276 29 29 LYS CG C 24.625 0.300 1 277 29 29 LYS N N 119.271 0.300 1 278 30 30 LYS H H 9.304 0.030 1 279 30 30 LYS HA H 3.312 0.030 1 280 30 30 LYS HB2 H 1.703 0.030 1 281 30 30 LYS HB3 H 1.703 0.030 1 282 30 30 LYS HD2 H 1.708 0.030 2 283 30 30 LYS HD3 H 1.764 0.030 2 284 30 30 LYS HE2 H 3.027 0.030 1 285 30 30 LYS HE3 H 3.027 0.030 1 286 30 30 LYS HG2 H 1.183 0.030 1 287 30 30 LYS HG3 H 1.183 0.030 1 288 30 30 LYS C C 177.001 0.300 1 289 30 30 LYS CA C 58.759 0.300 1 290 30 30 LYS CB C 32.686 0.300 1 291 30 30 LYS CD C 29.623 0.300 1 292 30 30 LYS CE C 42.068 0.300 1 293 30 30 LYS CG C 24.333 0.300 1 294 30 30 LYS N N 120.596 0.300 1 295 31 31 GLY H H 8.844 0.030 1 296 31 31 GLY HA2 H 3.471 0.030 2 297 31 31 GLY HA3 H 4.380 0.030 2 298 31 31 GLY C C 173.727 0.300 1 299 31 31 GLY CA C 44.694 0.300 1 300 31 31 GLY N N 115.264 0.300 1 301 32 32 ALA H H 8.276 0.030 1 302 32 32 ALA HA H 4.295 0.030 1 303 32 32 ALA HB H 1.585 0.030 1 304 32 32 ALA C C 176.591 0.300 1 305 32 32 ALA CA C 52.767 0.300 1 306 32 32 ALA CB C 20.565 0.300 1 307 32 32 ALA N N 123.498 0.300 1 308 33 33 SER H H 8.547 0.030 1 309 33 33 SER HA H 4.793 0.030 1 310 33 33 SER HB2 H 3.939 0.030 2 311 33 33 SER HB3 H 3.876 0.030 2 312 33 33 SER C C 173.751 0.300 1 313 33 33 SER CA C 58.545 0.300 1 314 33 33 SER CB C 63.407 0.300 1 315 33 33 SER N N 115.295 0.300 1 316 34 34 LEU H H 8.646 0.030 1 317 34 34 LEU HA H 4.818 0.030 1 318 34 34 LEU HB2 H 1.063 0.030 2 319 34 34 LEU HB3 H 1.028 0.030 2 320 34 34 LEU HD1 H -0.052 0.030 1 321 34 34 LEU HD2 H 0.150 0.030 1 322 34 34 LEU HG H 1.200 0.030 1 323 34 34 LEU C C 174.936 0.300 1 324 34 34 LEU CA C 53.200 0.300 1 325 34 34 LEU CB C 45.187 0.300 1 326 34 34 LEU CD1 C 25.789 0.300 2 327 34 34 LEU CD2 C 23.766 0.300 2 328 34 34 LEU CG C 26.286 0.300 1 329 34 34 LEU N N 125.948 0.300 1 330 35 35 LEU H H 8.032 0.030 1 331 35 35 LEU HA H 4.894 0.030 1 332 35 35 LEU HB2 H 1.452 0.030 2 333 35 35 LEU HB3 H 1.215 0.030 2 334 35 35 LEU HD1 H 0.822 0.030 1 335 35 35 LEU HD2 H 0.764 0.030 1 336 35 35 LEU HG H 1.416 0.030 1 337 35 35 LEU C C 174.971 0.300 1 338 35 35 LEU CA C 53.054 0.300 1 339 35 35 LEU CB C 44.877 0.300 1 340 35 35 LEU CD1 C 24.788 0.300 2 341 35 35 LEU CD2 C 24.164 0.300 2 342 35 35 LEU CG C 26.755 0.300 1 343 35 35 LEU N N 122.095 0.300 1 344 36 36 LEU H H 9.164 0.030 1 345 36 36 LEU HA H 4.450 0.030 1 346 36 36 LEU HB2 H 1.031 0.030 2 347 36 36 LEU HB3 H 1.433 0.030 2 348 36 36 LEU HD1 H -0.722 0.030 1 349 36 36 LEU HD2 H 0.011 0.030 1 350 36 36 LEU HG H 1.021 0.030 1 351 36 36 LEU C C 176.238 0.300 1 352 36 36 LEU CA C 53.312 0.300 1 353 36 36 LEU CB C 41.732 0.300 1 354 36 36 LEU CD1 C 23.623 0.300 2 355 36 36 LEU CD2 C 22.054 0.300 2 356 36 36 LEU CG C 25.436 0.300 1 357 36 36 LEU N N 121.462 0.300 1 358 37 37 TYR H H 9.509 0.030 1 359 37 37 TYR HA H 4.911 0.030 1 360 37 37 TYR HB2 H 2.875 0.030 2 361 37 37 TYR HB3 H 3.259 0.030 2 362 37 37 TYR HD1 H 7.011 0.030 1 363 37 37 TYR HD2 H 7.011 0.030 1 364 37 37 TYR HE1 H 6.707 0.030 1 365 37 37 TYR HE2 H 6.707 0.030 1 366 37 37 TYR C C 177.179 0.300 1 367 37 37 TYR CA C 58.054 0.300 1 368 37 37 TYR CB C 39.584 0.300 1 369 37 37 TYR CD1 C 131.879 0.300 1 370 37 37 TYR CD2 C 131.879 0.300 1 371 37 37 TYR CE1 C 117.769 0.300 1 372 37 37 TYR CE2 C 117.769 0.300 1 373 37 37 TYR N N 120.943 0.300 1 374 38 38 GLN H H 7.971 0.030 1 375 38 38 GLN HA H 4.784 0.030 1 376 38 38 GLN HB2 H 2.271 0.030 2 377 38 38 GLN HB3 H 2.107 0.030 2 378 38 38 GLN HE21 H 6.790 0.030 2 379 38 38 GLN HE22 H 7.644 0.030 2 380 38 38 GLN HG2 H 2.286 0.030 2 381 38 38 GLN HG3 H 2.227 0.030 2 382 38 38 GLN C C 173.583 0.300 1 383 38 38 GLN CA C 55.197 0.300 1 384 38 38 GLN CB C 31.414 0.300 1 385 38 38 GLN CG C 32.698 0.300 1 386 38 38 GLN N N 112.642 0.300 1 387 38 38 GLN NE2 N 111.623 0.300 1 388 39 39 ARG H H 9.051 0.030 1 389 39 39 ARG HA H 3.660 0.030 1 390 39 39 ARG HB2 H 1.517 0.030 2 391 39 39 ARG HB3 H 0.339 0.030 2 392 39 39 ARG HD2 H 2.099 0.030 2 393 39 39 ARG HD3 H 1.464 0.030 2 394 39 39 ARG HE H 5.870 0.030 1 395 39 39 ARG HG2 H 0.853 0.030 2 396 39 39 ARG HG3 H 0.449 0.030 2 397 39 39 ARG C C 174.986 0.300 1 398 39 39 ARG CA C 55.592 0.300 1 399 39 39 ARG CB C 29.679 0.300 1 400 39 39 ARG CD C 42.270 0.300 1 401 39 39 ARG CG C 25.850 0.300 1 402 39 39 ARG N N 128.677 0.300 1 403 39 39 ARG NE N 83.350 0.300 1 404 40 40 ALA H H 8.623 0.030 1 405 40 40 ALA HA H 4.356 0.030 1 406 40 40 ALA HB H 1.403 0.030 1 407 40 40 ALA C C 177.339 0.300 1 408 40 40 ALA CA C 53.815 0.300 1 409 40 40 ALA CB C 19.761 0.300 1 410 40 40 ALA N N 133.677 0.300 1 411 41 41 SER H H 8.527 0.030 1 412 41 41 SER HA H 4.544 0.030 1 413 41 41 SER HB2 H 4.169 0.030 2 414 41 41 SER HB3 H 4.241 0.030 2 415 41 41 SER C C 174.114 0.300 1 416 41 41 SER CA C 56.959 0.300 1 417 41 41 SER CB C 64.475 0.300 1 418 41 41 SER N N 110.686 0.300 1 419 42 42 ASP H H 8.799 0.030 1 420 42 42 ASP HA H 4.101 0.030 1 421 42 42 ASP HB2 H 2.526 0.030 1 422 42 42 ASP HB3 H 2.526 0.030 1 423 42 42 ASP C C 177.878 0.300 1 424 42 42 ASP CA C 57.531 0.300 1 425 42 42 ASP CB C 40.023 0.300 1 426 42 42 ASP N N 118.404 0.300 1 427 43 43 ASP H H 7.928 0.030 1 428 43 43 ASP HA H 4.749 0.030 1 429 43 43 ASP HB2 H 2.397 0.030 1 430 43 43 ASP HB3 H 2.397 0.030 1 431 43 43 ASP C C 176.802 0.300 1 432 43 43 ASP CA C 54.921 0.300 1 433 43 43 ASP CB C 42.937 0.300 1 434 43 43 ASP N N 112.634 0.300 1 435 44 44 TRP H H 7.379 0.030 1 436 44 44 TRP HA H 5.509 0.030 1 437 44 44 TRP HB2 H 3.200 0.030 2 438 44 44 TRP HB3 H 2.975 0.030 2 439 44 44 TRP HD1 H 7.125 0.030 1 440 44 44 TRP HE1 H 10.199 0.030 1 441 44 44 TRP HE3 H 7.464 0.030 1 442 44 44 TRP HH2 H 7.250 0.030 1 443 44 44 TRP HZ2 H 7.477 0.030 1 444 44 44 TRP HZ3 H 6.716 0.030 1 445 44 44 TRP C C 174.536 0.300 1 446 44 44 TRP CA C 57.107 0.300 1 447 44 44 TRP CB C 34.327 0.300 1 448 44 44 TRP CD1 C 127.403 0.300 1 449 44 44 TRP CE3 C 120.467 0.300 1 450 44 44 TRP CH2 C 124.721 0.300 1 451 44 44 TRP CZ2 C 114.627 0.300 1 452 44 44 TRP CZ3 C 120.500 0.300 1 453 44 44 TRP N N 119.496 0.300 1 454 44 44 TRP NE1 N 128.604 0.300 1 455 45 45 TRP H H 9.973 0.030 1 456 45 45 TRP HA H 5.126 0.030 1 457 45 45 TRP HB2 H 2.994 0.030 2 458 45 45 TRP HB3 H 3.277 0.030 2 459 45 45 TRP HD1 H 6.937 0.030 1 460 45 45 TRP HE1 H 13.490 0.030 1 461 45 45 TRP HE3 H 7.232 0.030 1 462 45 45 TRP HH2 H 7.178 0.030 1 463 45 45 TRP HZ2 H 7.463 0.030 1 464 45 45 TRP HZ3 H 6.926 0.030 1 465 45 45 TRP C C 176.721 0.300 1 466 45 45 TRP CA C 56.634 0.300 1 467 45 45 TRP CB C 31.957 0.300 1 468 45 45 TRP CD1 C 125.457 0.300 1 469 45 45 TRP CE3 C 120.169 0.300 1 470 45 45 TRP CH2 C 124.285 0.300 1 471 45 45 TRP CZ2 C 114.725 0.300 1 472 45 45 TRP CZ3 C 121.669 0.300 1 473 45 45 TRP N N 121.842 0.300 1 474 45 45 TRP NE1 N 138.872 0.300 1 475 46 46 GLU H H 9.308 0.030 1 476 46 46 GLU HA H 5.027 0.030 1 477 46 46 GLU HB2 H 2.453 0.030 2 478 46 46 GLU HB3 H 2.187 0.030 2 479 46 46 GLU HG2 H 2.420 0.030 2 480 46 46 GLU HG3 H 2.313 0.030 2 481 46 46 GLU C C 177.280 0.300 1 482 46 46 GLU CA C 56.123 0.300 1 483 46 46 GLU CB C 30.684 0.300 1 484 46 46 GLU CG C 35.607 0.300 1 485 46 46 GLU N N 120.208 0.300 1 486 47 47 GLY H H 9.402 0.030 1 487 47 47 GLY HA2 H 4.080 0.030 2 488 47 47 GLY HA3 H 4.285 0.030 2 489 47 47 GLY C C 170.749 0.300 1 490 47 47 GLY CA C 47.239 0.300 1 491 47 47 GLY N N 113.732 0.300 1 492 48 48 ARG H H 9.144 0.030 1 493 48 48 ARG HA H 5.641 0.030 1 494 48 48 ARG HB2 H 2.062 0.030 2 495 48 48 ARG HB3 H 1.424 0.030 2 496 48 48 ARG HD2 H 3.137 0.030 2 497 48 48 ARG HD3 H 3.080 0.030 2 498 48 48 ARG HG2 H 1.457 0.030 2 499 48 48 ARG HG3 H 1.371 0.030 2 500 48 48 ARG C C 174.916 0.300 1 501 48 48 ARG CA C 55.084 0.300 1 502 48 48 ARG CB C 35.339 0.300 1 503 48 48 ARG CD C 43.967 0.300 1 504 48 48 ARG CG C 27.327 0.300 1 505 48 48 ARG N N 122.415 0.300 1 506 49 49 HIS H H 8.824 0.030 1 507 49 49 HIS HA H 4.915 0.030 1 508 49 49 HIS HB2 H 3.126 0.030 2 509 49 49 HIS HB3 H 3.056 0.030 2 510 49 49 HIS HD2 H 7.251 0.030 1 511 49 49 HIS HE1 H 7.993 0.030 1 512 49 49 HIS C C 174.923 0.300 1 513 49 49 HIS CA C 56.031 0.300 1 514 49 49 HIS CB C 32.641 0.300 1 515 49 49 HIS CE1 C 139.081 0.300 1 516 49 49 HIS N N 123.904 0.300 1 517 50 50 ASN H H 9.151 0.030 1 518 50 50 ASN HA H 4.187 0.030 1 519 50 50 ASN HB2 H 1.792 0.030 2 520 50 50 ASN HB3 H 2.984 0.030 2 521 50 50 ASN HD21 H 7.538 0.030 2 522 50 50 ASN HD22 H 6.738 0.030 2 523 50 50 ASN C C 174.769 0.300 1 524 50 50 ASN CA C 53.149 0.300 1 525 50 50 ASN CB C 37.272 0.300 1 526 50 50 ASN N N 128.721 0.300 1 527 50 50 ASN ND2 N 111.101 0.300 1 528 51 51 GLY H H 8.625 0.030 1 529 51 51 GLY HA2 H 3.503 0.030 2 530 51 51 GLY HA3 H 4.104 0.030 2 531 51 51 GLY C C 173.049 0.300 1 532 51 51 GLY CA C 45.372 0.300 1 533 51 51 GLY N N 101.971 0.300 1 534 52 52 ILE H H 7.779 0.030 1 535 52 52 ILE HA H 4.341 0.030 1 536 52 52 ILE HB H 2.055 0.030 1 537 52 52 ILE HD1 H 0.952 0.030 1 538 52 52 ILE HG12 H 1.600 0.030 2 539 52 52 ILE HG13 H 1.213 0.030 2 540 52 52 ILE HG2 H 1.035 0.030 1 541 52 52 ILE C C 174.236 0.300 1 542 52 52 ILE CA C 59.938 0.300 1 543 52 52 ILE CB C 39.829 0.300 1 544 52 52 ILE CD1 C 12.200 0.300 1 545 52 52 ILE CG1 C 26.777 0.300 1 546 52 52 ILE CG2 C 17.662 0.300 1 547 52 52 ILE N N 121.664 0.300 1 548 53 53 ASP H H 8.404 0.030 1 549 53 53 ASP HA H 5.858 0.030 1 550 53 53 ASP HB2 H 3.003 0.030 2 551 53 53 ASP HB3 H 2.645 0.030 2 552 53 53 ASP C C 177.286 0.300 1 553 53 53 ASP CA C 53.314 0.300 1 554 53 53 ASP CB C 42.190 0.300 1 555 53 53 ASP N N 126.108 0.300 1 556 54 54 GLY H H 9.086 0.030 1 557 54 54 GLY HA2 H 4.172 0.030 2 558 54 54 GLY HA3 H 4.255 0.030 2 559 54 54 GLY C C 170.996 0.300 1 560 54 54 GLY CA C 46.238 0.300 1 561 54 54 GLY N N 110.567 0.300 1 562 55 55 LEU H H 8.718 0.030 1 563 55 55 LEU HA H 5.508 0.030 1 564 55 55 LEU HB2 H 1.636 0.030 2 565 55 55 LEU HB3 H 1.435 0.030 2 566 55 55 LEU HD1 H 0.381 0.030 1 567 55 55 LEU HD2 H 0.753 0.030 1 568 55 55 LEU HG H 1.554 0.030 1 569 55 55 LEU C C 177.652 0.300 1 570 55 55 LEU CA C 54.343 0.300 1 571 55 55 LEU CB C 45.176 0.300 1 572 55 55 LEU CD1 C 25.487 0.300 2 573 55 55 LEU CD2 C 22.971 0.300 2 574 55 55 LEU CG C 27.067 0.300 1 575 55 55 LEU N N 120.139 0.300 1 576 56 56 ILE H H 9.684 0.030 1 577 56 56 ILE HA H 4.930 0.030 1 578 56 56 ILE HB H 1.590 0.030 1 579 56 56 ILE HD1 H 0.632 0.030 1 580 56 56 ILE HG12 H 1.731 0.030 2 581 56 56 ILE HG13 H 0.844 0.030 2 582 56 56 ILE HG2 H 0.655 0.030 1 583 56 56 ILE C C 173.800 0.300 1 584 56 56 ILE CA C 57.931 0.300 1 585 56 56 ILE CB C 44.511 0.300 1 586 56 56 ILE CD1 C 15.525 0.300 1 587 56 56 ILE CG1 C 29.026 0.300 1 588 56 56 ILE CG2 C 17.924 0.300 1 589 56 56 ILE N N 121.100 0.300 1 590 57 57 PRO HA H 4.180 0.030 1 591 57 57 PRO HB2 H 1.507 0.030 2 592 57 57 PRO HB3 H 1.000 0.030 2 593 57 57 PRO HD2 H 3.542 0.030 2 594 57 57 PRO HD3 H 3.835 0.030 2 595 57 57 PRO HG2 H 1.243 0.030 2 596 57 57 PRO HG3 H 0.199 0.030 2 597 57 57 PRO C C 177.493 0.300 1 598 57 57 PRO CA C 61.862 0.300 1 599 57 57 PRO CB C 30.579 0.300 1 600 57 57 PRO CD C 51.318 0.300 1 601 57 57 PRO CG C 25.587 0.300 1 602 58 58 HIS H H 8.231 0.030 1 603 58 58 HIS HA H 4.271 0.030 1 604 58 58 HIS HB2 H 2.971 0.030 2 605 58 58 HIS HB3 H 2.881 0.030 2 606 58 58 HIS HD2 H 6.923 0.030 1 607 58 58 HIS HE1 H 7.880 0.030 1 608 58 58 HIS C C 176.876 0.300 1 609 58 58 HIS CA C 60.239 0.300 1 610 58 58 HIS CB C 32.652 0.300 1 611 58 58 HIS CD2 C 117.153 0.300 1 612 58 58 HIS CE1 C 138.007 0.300 1 613 58 58 HIS N N 125.183 0.300 1 614 59 59 GLN H H 8.948 0.030 1 615 59 59 GLN HA H 4.018 0.030 1 616 59 59 GLN HB2 H 2.025 0.030 2 617 59 59 GLN HB3 H 1.909 0.030 2 618 59 59 GLN HE21 H 7.562 0.030 2 619 59 59 GLN HE22 H 6.902 0.030 2 620 59 59 GLN HG2 H 2.376 0.030 1 621 59 59 GLN HG3 H 2.376 0.030 1 622 59 59 GLN C C 175.963 0.300 1 623 59 59 GLN CA C 57.696 0.300 1 624 59 59 GLN CB C 27.895 0.300 1 625 59 59 GLN CG C 34.043 0.300 1 626 59 59 GLN N N 112.328 0.300 1 627 59 59 GLN NE2 N 112.389 0.300 1 628 60 60 TYR H H 7.516 0.030 1 629 60 60 TYR HA H 4.538 0.030 1 630 60 60 TYR HB2 H 2.861 0.030 2 631 60 60 TYR HB3 H 3.717 0.030 2 632 60 60 TYR HD1 H 6.971 0.030 1 633 60 60 TYR HD2 H 6.971 0.030 1 634 60 60 TYR HE1 H 6.954 0.030 1 635 60 60 TYR HE2 H 6.954 0.030 1 636 60 60 TYR C C 174.775 0.300 1 637 60 60 TYR CA C 58.571 0.300 1 638 60 60 TYR CB C 38.772 0.300 1 639 60 60 TYR CD1 C 132.778 0.300 1 640 60 60 TYR CD2 C 132.778 0.300 1 641 60 60 TYR CE1 C 118.391 0.300 1 642 60 60 TYR CE2 C 118.391 0.300 1 643 60 60 TYR N N 115.474 0.300 1 644 61 61 ILE H H 7.198 0.030 1 645 61 61 ILE HA H 4.947 0.030 1 646 61 61 ILE HB H 1.343 0.030 1 647 61 61 ILE HD1 H 0.200 0.030 1 648 61 61 ILE HG12 H 1.054 0.030 2 649 61 61 ILE HG13 H 1.017 0.030 2 650 61 61 ILE HG2 H 0.369 0.030 1 651 61 61 ILE C C 174.243 0.300 1 652 61 61 ILE CA C 59.530 0.300 1 653 61 61 ILE CB C 42.184 0.300 1 654 61 61 ILE CD1 C 14.929 0.300 1 655 61 61 ILE CG1 C 24.709 0.300 1 656 61 61 ILE CG2 C 18.770 0.300 1 657 61 61 ILE N N 113.031 0.300 1 658 62 62 VAL H H 8.737 0.030 1 659 62 62 VAL HA H 4.157 0.030 1 660 62 62 VAL HB H 1.838 0.030 1 661 62 62 VAL HG1 H 0.780 0.030 1 662 62 62 VAL HG2 H 0.750 0.030 1 663 62 62 VAL C C 175.594 0.300 1 664 62 62 VAL CA C 61.479 0.300 1 665 62 62 VAL CB C 33.648 0.300 1 666 62 62 VAL CG1 C 20.645 0.300 2 667 62 62 VAL CG2 C 20.868 0.300 2 668 62 62 VAL N N 121.134 0.300 1 669 63 63 VAL H H 8.616 0.030 1 670 63 63 VAL HA H 3.868 0.030 1 671 63 63 VAL HB H 1.943 0.030 1 672 63 63 VAL HG1 H 0.846 0.030 1 673 63 63 VAL HG2 H 0.759 0.030 1 674 63 63 VAL C C 175.826 0.300 1 675 63 63 VAL CA C 62.813 0.300 1 676 63 63 VAL CB C 32.563 0.300 1 677 63 63 VAL CG1 C 21.384 0.300 2 678 63 63 VAL CG2 C 21.212 0.300 2 679 63 63 VAL N N 128.281 0.300 1 680 64 64 GLN H H 8.516 0.030 1 681 64 64 GLN HA H 4.322 0.030 1 682 64 64 GLN HB2 H 2.033 0.030 2 683 64 64 GLN HB3 H 1.913 0.030 2 684 64 64 GLN HE21 H 7.201 0.030 2 685 64 64 GLN HE22 H 6.880 0.030 2 686 64 64 GLN HG2 H 2.186 0.030 2 687 64 64 GLN HG3 H 2.259 0.030 2 688 64 64 GLN C C 175.119 0.300 1 689 64 64 GLN CA C 55.479 0.300 1 690 64 64 GLN CB C 29.437 0.300 1 691 64 64 GLN CG C 33.813 0.300 1 692 64 64 GLN N N 126.278 0.300 1 693 64 64 GLN NE2 N 112.500 0.300 1 694 65 65 ASP H H 8.394 0.030 1 695 65 65 ASP HA H 4.719 0.030 1 696 65 65 ASP HB2 H 2.741 0.030 2 697 65 65 ASP HB3 H 2.667 0.030 2 698 65 65 ASP C C 176.680 0.300 1 699 65 65 ASP CA C 54.214 0.300 1 700 65 65 ASP CB C 41.413 0.300 1 701 65 65 ASP N N 122.810 0.300 1 702 66 66 THR H H 8.287 0.030 1 703 66 66 THR HA H 4.419 0.030 1 704 66 66 THR HB H 4.380 0.030 1 705 66 66 THR HG2 H 1.212 0.030 1 706 66 66 THR C C 174.901 0.300 1 707 66 66 THR CA C 61.652 0.300 1 708 66 66 THR CB C 69.446 0.300 1 709 66 66 THR CG2 C 21.607 0.300 1 710 66 66 THR N N 114.854 0.300 1 711 67 67 SER H H 8.434 0.030 1 712 67 67 SER HA H 4.488 0.030 1 713 67 67 SER HB2 H 3.922 0.030 1 714 67 67 SER HB3 H 3.922 0.030 1 715 67 67 SER C C 174.665 0.300 1 716 67 67 SER CA C 58.805 0.300 1 717 67 67 SER CB C 64.011 0.300 1 718 67 67 SER N N 118.334 0.300 1 719 68 68 GLY H H 8.249 0.030 1 720 68 68 GLY HA2 H 4.175 0.030 2 721 68 68 GLY HA3 H 4.084 0.030 2 722 68 68 GLY C C 171.799 0.300 1 723 68 68 GLY CA C 44.655 0.300 1 724 68 68 GLY N N 110.668 0.300 1 725 69 69 PRO HA H 4.491 0.030 1 726 69 69 PRO HB2 H 1.983 0.030 2 727 69 69 PRO HB3 H 2.300 0.030 2 728 69 69 PRO HD2 H 3.634 0.030 1 729 69 69 PRO HD3 H 3.634 0.030 1 730 69 69 PRO HG2 H 2.031 0.030 1 731 69 69 PRO HG3 H 2.031 0.030 1 732 69 69 PRO C C 177.432 0.300 1 733 69 69 PRO CA C 63.180 0.300 1 734 69 69 PRO CB C 32.144 0.300 1 735 69 69 PRO CD C 49.823 0.300 1 736 69 69 PRO CG C 27.115 0.300 1 737 70 70 SER H H 8.527 0.030 1 738 70 70 SER HA H 4.520 0.030 1 739 70 70 SER HB2 H 3.922 0.030 1 740 70 70 SER HB3 H 3.922 0.030 1 741 70 70 SER C C 174.731 0.300 1 742 70 70 SER CA C 58.422 0.300 1 743 70 70 SER CB C 63.807 0.300 1 744 70 70 SER N N 116.494 0.300 1 745 71 71 SER H H 8.348 0.030 1 746 71 71 SER HA H 4.505 0.030 1 747 71 71 SER HB2 H 3.906 0.030 1 748 71 71 SER HB3 H 3.906 0.030 1 749 71 71 SER C C 173.963 0.300 1 750 71 71 SER CA C 58.422 0.300 1 751 71 71 SER CB C 63.943 0.300 1 752 71 71 SER N N 117.953 0.300 1 753 72 72 GLY H H 8.055 0.030 1 754 72 72 GLY HA2 H 3.801 0.030 2 755 72 72 GLY HA3 H 3.767 0.030 2 756 72 72 GLY C C 178.995 0.300 1 757 72 72 GLY CA C 46.163 0.300 1 758 72 72 GLY N N 116.888 0.300 1 stop_ save_