data_11156 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SH3 domain of human Nostrin ; _BMRB_accession_number 11156 _BMRB_flat_file_name bmr11156.str _Entry_type original _Submission_date 2010-04-15 _Accession_date 2010-04-15 _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 Abe H. . . 2 Tochio N. . . 3 Miyamoto K. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa 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" 426 "13C chemical shifts" 318 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the SH3 domain of human Nostrin' _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 Abe H. . . 2 Miyamoto K. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa 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 Nostrin _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 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; GSSGSSGRLCKALYSFQARQ DDELNLEKGDIVIIHEKKEE GWWFGSLNGKKGHFPAAYVE ELPSNAGNTATKASGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 LEU 10 CYS 11 LYS 12 ALA 13 LEU 14 TYR 15 SER 16 PHE 17 GLN 18 ALA 19 ARG 20 GLN 21 ASP 22 ASP 23 GLU 24 LEU 25 ASN 26 LEU 27 GLU 28 LYS 29 GLY 30 ASP 31 ILE 32 VAL 33 ILE 34 ILE 35 HIS 36 GLU 37 LYS 38 LYS 39 GLU 40 GLU 41 GLY 42 TRP 43 TRP 44 PHE 45 GLY 46 SER 47 LEU 48 ASN 49 GLY 50 LYS 51 LYS 52 GLY 53 HIS 54 PHE 55 PRO 56 ALA 57 ALA 58 TYR 59 VAL 60 GLU 61 GLU 62 LEU 63 PRO 64 SER 65 ASN 66 ALA 67 GLY 68 ASN 69 THR 70 ALA 71 THR 72 LYS 73 ALA 74 SER 75 GLY 76 PRO 77 SER 78 SER 79 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 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 2YUN "Solution Structure Of The Sh3 Domain Of Human Nostrin" 100.00 79 100.00 100.00 2.28e-49 REF XP_005573448 "PREDICTED: nostrin isoform X4 [Macaca fascicularis]" 56.96 476 97.78 97.78 1.71e-22 REF XP_007963454 "PREDICTED: nostrin isoform X3 [Chlorocebus sabaeus]" 56.96 476 100.00 100.00 4.88e-23 REF XP_010352711 "PREDICTED: nostrin isoform X3 [Rhinopithecus roxellana]" 56.96 476 100.00 100.00 4.88e-23 REF XP_011902294 "PREDICTED: nostrin isoform X3 [Cercocebus atys]" 56.96 476 97.78 97.78 4.47e-22 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 - cell free" . P050620-15 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.1mM {Protein;} 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 1.1 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 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 0.9747 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name '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 HA H 4.437 0.030 1 2 6 6 SER HB2 H 3.885 0.030 2 3 6 6 SER C C 174.882 0.300 1 4 6 6 SER CA C 58.524 0.300 1 5 6 6 SER CB C 63.856 0.300 1 6 7 7 GLY H H 8.427 0.030 1 7 7 7 GLY HA2 H 3.933 0.030 2 8 7 7 GLY HA3 H 3.837 0.030 2 9 7 7 GLY C C 173.533 0.300 1 10 7 7 GLY CA C 45.291 0.300 1 11 7 7 GLY N N 110.791 0.300 1 12 8 8 ARG H H 8.157 0.030 1 13 8 8 ARG HA H 4.391 0.030 1 14 8 8 ARG HB2 H 1.839 0.030 2 15 8 8 ARG HB3 H 1.678 0.030 2 16 8 8 ARG HD2 H 3.126 0.030 2 17 8 8 ARG HD3 H 3.062 0.030 2 18 8 8 ARG HG2 H 1.617 0.030 2 19 8 8 ARG HG3 H 1.541 0.030 2 20 8 8 ARG C C 174.394 0.300 1 21 8 8 ARG CA C 55.372 0.300 1 22 8 8 ARG CB C 31.200 0.300 1 23 8 8 ARG CD C 43.103 0.300 1 24 8 8 ARG CG C 26.852 0.300 1 25 8 8 ARG N N 120.910 0.300 1 26 9 9 LEU H H 8.535 0.030 1 27 9 9 LEU HA H 5.309 0.030 1 28 9 9 LEU HB2 H 1.270 0.030 2 29 9 9 LEU HB3 H 1.696 0.030 2 30 9 9 LEU HD1 H 0.719 0.030 1 31 9 9 LEU HD2 H 0.790 0.030 1 32 9 9 LEU HG H 1.604 0.030 1 33 9 9 LEU C C 177.383 0.300 1 34 9 9 LEU CA C 53.682 0.300 1 35 9 9 LEU CB C 45.727 0.300 1 36 9 9 LEU CD1 C 24.169 0.300 2 37 9 9 LEU CD2 C 25.254 0.300 2 38 9 9 LEU CG C 27.274 0.300 1 39 9 9 LEU N N 121.341 0.300 1 40 10 10 CYS H H 9.046 0.030 1 41 10 10 CYS HA H 5.356 0.030 1 42 10 10 CYS HB2 H 2.473 0.030 2 43 10 10 CYS HB3 H 3.003 0.030 2 44 10 10 CYS C C 170.187 0.300 1 45 10 10 CYS CA C 55.725 0.300 1 46 10 10 CYS CB C 33.094 0.300 1 47 10 10 CYS N N 114.802 0.300 1 48 11 11 LYS H H 8.820 0.030 1 49 11 11 LYS HA H 5.471 0.030 1 50 11 11 LYS HB2 H 1.404 0.030 2 51 11 11 LYS HB3 H 1.671 0.030 2 52 11 11 LYS HD2 H 1.574 0.030 1 53 11 11 LYS HD3 H 1.574 0.030 1 54 11 11 LYS HE2 H 2.825 0.030 2 55 11 11 LYS HE3 H 2.765 0.030 2 56 11 11 LYS HG2 H 1.157 0.030 1 57 11 11 LYS HG3 H 1.157 0.030 1 58 11 11 LYS C C 176.175 0.300 1 59 11 11 LYS CA C 53.212 0.300 1 60 11 11 LYS CB C 36.531 0.300 1 61 11 11 LYS CD C 29.586 0.300 1 62 11 11 LYS CE C 41.727 0.300 1 63 11 11 LYS CG C 24.267 0.300 1 64 11 11 LYS N N 120.227 0.300 1 65 12 12 ALA H H 9.230 0.030 1 66 12 12 ALA HA H 4.525 0.030 1 67 12 12 ALA HB H 1.405 0.030 1 68 12 12 ALA C C 178.158 0.300 1 69 12 12 ALA CA C 52.752 0.300 1 70 12 12 ALA CB C 18.588 0.300 1 71 12 12 ALA N N 127.306 0.300 1 72 13 13 LEU H H 9.525 0.030 1 73 13 13 LEU HA H 3.886 0.030 1 74 13 13 LEU HB2 H 0.971 0.030 2 75 13 13 LEU HB3 H 0.614 0.030 2 76 13 13 LEU HD1 H 0.633 0.030 1 77 13 13 LEU HD2 H 0.604 0.030 1 78 13 13 LEU HG H 1.300 0.030 1 79 13 13 LEU C C 175.171 0.300 1 80 13 13 LEU CA C 55.505 0.300 1 81 13 13 LEU CB C 43.436 0.300 1 82 13 13 LEU CD1 C 25.291 0.300 2 83 13 13 LEU CD2 C 22.012 0.300 2 84 13 13 LEU CG C 26.775 0.300 1 85 13 13 LEU N N 128.131 0.300 1 86 14 14 TYR H H 7.202 0.030 1 87 14 14 TYR HA H 4.677 0.030 1 88 14 14 TYR HB2 H 2.311 0.030 2 89 14 14 TYR HB3 H 3.153 0.030 2 90 14 14 TYR HD1 H 6.724 0.030 1 91 14 14 TYR HD2 H 6.724 0.030 1 92 14 14 TYR HE1 H 6.584 0.030 1 93 14 14 TYR HE2 H 6.584 0.030 1 94 14 14 TYR C C 173.643 0.300 1 95 14 14 TYR CA C 53.972 0.300 1 96 14 14 TYR CB C 42.163 0.300 1 97 14 14 TYR CD1 C 133.722 0.300 1 98 14 14 TYR CD2 C 133.722 0.300 1 99 14 14 TYR CE1 C 117.635 0.300 1 100 14 14 TYR CE2 C 117.635 0.300 1 101 14 14 TYR N N 113.417 0.300 1 102 15 15 SER H H 8.349 0.030 1 103 15 15 SER HA H 4.358 0.030 1 104 15 15 SER HB2 H 4.009 0.030 2 105 15 15 SER HB3 H 3.916 0.030 2 106 15 15 SER C C 173.524 0.300 1 107 15 15 SER CA C 58.275 0.300 1 108 15 15 SER CB C 63.736 0.300 1 109 15 15 SER N N 113.422 0.300 1 110 16 16 PHE H H 9.052 0.030 1 111 16 16 PHE HA H 4.845 0.030 1 112 16 16 PHE HB2 H 2.566 0.030 2 113 16 16 PHE HB3 H 2.947 0.030 2 114 16 16 PHE HD1 H 7.208 0.030 1 115 16 16 PHE HD2 H 7.208 0.030 1 116 16 16 PHE HE1 H 7.346 0.030 1 117 16 16 PHE HE2 H 7.346 0.030 1 118 16 16 PHE HZ H 7.511 0.030 1 119 16 16 PHE C C 173.210 0.300 1 120 16 16 PHE CA C 57.196 0.300 1 121 16 16 PHE CB C 43.040 0.300 1 122 16 16 PHE CD1 C 132.472 0.300 1 123 16 16 PHE CD2 C 132.472 0.300 1 124 16 16 PHE CE1 C 131.321 0.300 1 125 16 16 PHE CE2 C 131.321 0.300 1 126 16 16 PHE CZ C 130.094 0.300 1 127 16 16 PHE N N 123.507 0.300 1 128 17 17 GLN H H 7.822 0.030 1 129 17 17 GLN HA H 4.450 0.030 1 130 17 17 GLN HB2 H 1.750 0.030 1 131 17 17 GLN HB3 H 1.750 0.030 1 132 17 17 GLN HE21 H 6.763 0.030 2 133 17 17 GLN HE22 H 7.570 0.030 2 134 17 17 GLN HG2 H 2.188 0.030 2 135 17 17 GLN HG3 H 2.137 0.030 2 136 17 17 GLN C C 173.223 0.300 1 137 17 17 GLN CA C 53.835 0.300 1 138 17 17 GLN CB C 29.096 0.300 1 139 17 17 GLN CG C 33.867 0.300 1 140 17 17 GLN N N 128.052 0.300 1 141 17 17 GLN NE2 N 112.806 0.300 1 142 18 18 ALA H H 8.123 0.030 1 143 18 18 ALA HA H 3.954 0.030 1 144 18 18 ALA HB H 1.253 0.030 1 145 18 18 ALA C C 178.656 0.300 1 146 18 18 ALA CA C 52.639 0.300 1 147 18 18 ALA CB C 20.427 0.300 1 148 18 18 ALA N N 127.390 0.300 1 149 19 19 ARG H H 9.298 0.030 1 150 19 19 ARG HA H 4.330 0.030 1 151 19 19 ARG HB2 H 1.846 0.030 1 152 19 19 ARG HB3 H 1.846 0.030 1 153 19 19 ARG HD2 H 3.126 0.030 1 154 19 19 ARG HD3 H 3.126 0.030 1 155 19 19 ARG HG2 H 1.613 0.030 1 156 19 19 ARG HG3 H 1.613 0.030 1 157 19 19 ARG C C 176.016 0.300 1 158 19 19 ARG CA C 56.494 0.300 1 159 19 19 ARG CB C 31.127 0.300 1 160 19 19 ARG CD C 43.088 0.300 1 161 19 19 ARG CG C 26.908 0.300 1 162 19 19 ARG N N 121.271 0.300 1 163 20 20 GLN H H 7.481 0.030 1 164 20 20 GLN HA H 4.634 0.030 1 165 20 20 GLN HB2 H 1.846 0.030 2 166 20 20 GLN HB3 H 2.286 0.030 2 167 20 20 GLN HE21 H 6.642 0.030 2 168 20 20 GLN HE22 H 7.931 0.030 2 169 20 20 GLN HG2 H 2.293 0.030 2 170 20 20 GLN HG3 H 2.162 0.030 2 171 20 20 GLN C C 176.827 0.300 1 172 20 20 GLN CA C 53.767 0.300 1 173 20 20 GLN CB C 31.626 0.300 1 174 20 20 GLN CG C 32.876 0.300 1 175 20 20 GLN N N 114.634 0.300 1 176 20 20 GLN NE2 N 113.333 0.300 1 177 21 21 ASP H H 8.769 0.030 1 178 21 21 ASP HA H 4.430 0.030 1 179 21 21 ASP HB2 H 2.707 0.030 1 180 21 21 ASP HB3 H 2.707 0.030 1 181 21 21 ASP C C 176.109 0.300 1 182 21 21 ASP CA C 56.954 0.300 1 183 21 21 ASP CB C 40.686 0.300 1 184 21 21 ASP N N 119.765 0.300 1 185 22 22 ASP H H 8.176 0.030 1 186 22 22 ASP HA H 4.926 0.030 1 187 22 22 ASP HB2 H 2.715 0.030 2 188 22 22 ASP HB3 H 3.136 0.030 2 189 22 22 ASP C C 176.568 0.300 1 190 22 22 ASP CA C 53.374 0.300 1 191 22 22 ASP CB C 40.098 0.300 1 192 22 22 ASP N N 115.685 0.300 1 193 23 23 GLU H H 7.742 0.030 1 194 23 23 GLU HA H 5.305 0.030 1 195 23 23 GLU HB2 H 2.380 0.030 1 196 23 23 GLU HB3 H 2.380 0.030 1 197 23 23 GLU HG2 H 2.391 0.030 1 198 23 23 GLU HG3 H 2.391 0.030 1 199 23 23 GLU C C 175.138 0.300 1 200 23 23 GLU CA C 55.055 0.300 1 201 23 23 GLU CB C 32.956 0.300 1 202 23 23 GLU CG C 36.900 0.300 1 203 23 23 GLU N N 120.532 0.300 1 204 24 24 LEU H H 8.757 0.030 1 205 24 24 LEU HA H 4.407 0.030 1 206 24 24 LEU HB2 H 0.993 0.030 2 207 24 24 LEU HB3 H 1.522 0.030 2 208 24 24 LEU HD1 H 0.596 0.030 1 209 24 24 LEU HD2 H 0.554 0.030 1 210 24 24 LEU HG H 1.294 0.030 1 211 24 24 LEU C C 174.520 0.300 1 212 24 24 LEU CA C 53.321 0.300 1 213 24 24 LEU CB C 45.020 0.300 1 214 24 24 LEU CD1 C 24.787 0.300 2 215 24 24 LEU CD2 C 24.109 0.300 2 216 24 24 LEU CG C 26.337 0.300 1 217 24 24 LEU N N 123.138 0.300 1 218 25 25 ASN H H 7.871 0.030 1 219 25 25 ASN HA H 4.851 0.030 1 220 25 25 ASN HB2 H 2.667 0.030 2 221 25 25 ASN HB3 H 2.591 0.030 2 222 25 25 ASN HD21 H 7.044 0.030 2 223 25 25 ASN HD22 H 7.730 0.030 2 224 25 25 ASN C C 175.734 0.300 1 225 25 25 ASN CA C 53.354 0.300 1 226 25 25 ASN CB C 40.239 0.300 1 227 25 25 ASN N N 118.742 0.300 1 228 25 25 ASN ND2 N 116.263 0.300 1 229 26 26 LEU H H 9.195 0.030 1 230 26 26 LEU HA H 4.815 0.030 1 231 26 26 LEU HB2 H 1.137 0.030 2 232 26 26 LEU HB3 H 1.873 0.030 2 233 26 26 LEU HD1 H 0.511 0.030 1 234 26 26 LEU HD2 H 0.429 0.030 1 235 26 26 LEU HG H 1.768 0.030 1 236 26 26 LEU C C 176.608 0.300 1 237 26 26 LEU CA C 53.646 0.300 1 238 26 26 LEU CB C 45.787 0.300 1 239 26 26 LEU CD1 C 24.888 0.300 2 240 26 26 LEU CD2 C 24.305 0.300 2 241 26 26 LEU CG C 26.151 0.300 1 242 26 26 LEU N N 120.725 0.300 1 243 27 27 GLU H H 9.215 0.030 1 244 27 27 GLU HA H 4.529 0.030 1 245 27 27 GLU HB2 H 1.864 0.030 2 246 27 27 GLU HB3 H 1.768 0.030 2 247 27 27 GLU HG2 H 2.263 0.030 2 248 27 27 GLU HG3 H 2.148 0.030 2 249 27 27 GLU C C 175.349 0.300 1 250 27 27 GLU CA C 53.681 0.300 1 251 27 27 GLU CB C 31.164 0.300 1 252 27 27 GLU CG C 35.958 0.300 1 253 27 27 GLU N N 124.103 0.300 1 254 28 28 LYS H H 8.270 0.030 1 255 28 28 LYS HA H 3.178 0.030 1 256 28 28 LYS HB2 H 1.575 0.030 2 257 28 28 LYS HB3 H 1.473 0.030 2 258 28 28 LYS HD2 H 1.590 0.030 1 259 28 28 LYS HD3 H 1.590 0.030 1 260 28 28 LYS HE2 H 2.910 0.030 1 261 28 28 LYS HE3 H 2.910 0.030 1 262 28 28 LYS HG2 H 1.145 0.030 2 263 28 28 LYS HG3 H 1.059 0.030 2 264 28 28 LYS C C 177.291 0.300 1 265 28 28 LYS CA C 58.967 0.300 1 266 28 28 LYS CB C 32.149 0.300 1 267 28 28 LYS CD C 29.574 0.300 1 268 28 28 LYS CE C 41.898 0.300 1 269 28 28 LYS CG C 24.647 0.300 1 270 28 28 LYS N N 122.422 0.300 1 271 29 29 GLY H H 8.921 0.030 1 272 29 29 GLY HA2 H 3.307 0.030 2 273 29 29 GLY HA3 H 4.410 0.030 2 274 29 29 GLY C C 174.117 0.300 1 275 29 29 GLY CA C 44.739 0.300 1 276 29 29 GLY N N 115.210 0.300 1 277 30 30 ASP H H 8.271 0.030 1 278 30 30 ASP HA H 4.382 0.030 1 279 30 30 ASP HB2 H 2.312 0.030 2 280 30 30 ASP HB3 H 2.535 0.030 2 281 30 30 ASP C C 175.104 0.300 1 282 30 30 ASP CA C 56.031 0.300 1 283 30 30 ASP CB C 42.194 0.300 1 284 30 30 ASP N N 122.415 0.300 1 285 31 31 ILE H H 8.168 0.030 1 286 31 31 ILE HA H 4.943 0.030 1 287 31 31 ILE HB H 1.854 0.030 1 288 31 31 ILE HD1 H 0.746 0.030 1 289 31 31 ILE HG12 H 1.564 0.030 2 290 31 31 ILE HG13 H 1.259 0.030 2 291 31 31 ILE HG2 H 0.799 0.030 1 292 31 31 ILE C C 175.015 0.300 1 293 31 31 ILE CA C 58.947 0.300 1 294 31 31 ILE CB C 37.106 0.300 1 295 31 31 ILE CD1 C 11.124 0.300 1 296 31 31 ILE CG1 C 26.775 0.300 1 297 31 31 ILE CG2 C 18.006 0.300 1 298 31 31 ILE N N 121.027 0.300 1 299 32 32 VAL H H 8.801 0.030 1 300 32 32 VAL HA H 4.085 0.030 1 301 32 32 VAL HB H 1.617 0.030 1 302 32 32 VAL HG1 H 0.241 0.030 1 303 32 32 VAL HG2 H 0.323 0.030 1 304 32 32 VAL C C 175.124 0.300 1 305 32 32 VAL CA C 60.652 0.300 1 306 32 32 VAL CB C 34.535 0.300 1 307 32 32 VAL CG1 C 21.156 0.300 2 308 32 32 VAL CG2 C 21.815 0.300 2 309 32 32 VAL N N 129.070 0.300 1 310 33 33 ILE H H 8.189 0.030 1 311 33 33 ILE HA H 4.300 0.030 1 312 33 33 ILE HB H 1.682 0.030 1 313 33 33 ILE HD1 H 0.806 0.030 1 314 33 33 ILE HG12 H 1.607 0.030 2 315 33 33 ILE HG13 H 0.891 0.030 2 316 33 33 ILE HG2 H 0.630 0.030 1 317 33 33 ILE C C 176.120 0.300 1 318 33 33 ILE CA C 60.709 0.300 1 319 33 33 ILE CB C 39.089 0.300 1 320 33 33 ILE CD1 C 13.815 0.300 1 321 33 33 ILE CG1 C 27.726 0.300 1 322 33 33 ILE CG2 C 17.563 0.300 1 323 33 33 ILE N N 125.774 0.300 1 324 34 34 ILE H H 8.995 0.030 1 325 34 34 ILE HA H 3.751 0.030 1 326 34 34 ILE HB H 1.591 0.030 1 327 34 34 ILE HD1 H 0.567 0.030 1 328 34 34 ILE HG12 H 1.746 0.030 2 329 34 34 ILE HG13 H 0.941 0.030 2 330 34 34 ILE HG2 H 0.394 0.030 1 331 34 34 ILE C C 175.959 0.300 1 332 34 34 ILE CA C 63.006 0.300 1 333 34 34 ILE CB C 38.994 0.300 1 334 34 34 ILE CD1 C 14.954 0.300 1 335 34 34 ILE CG1 C 29.364 0.300 1 336 34 34 ILE CG2 C 17.770 0.300 1 337 34 34 ILE N N 127.231 0.300 1 338 35 35 HIS H H 9.508 0.030 1 339 35 35 HIS HA H 4.973 0.030 1 340 35 35 HIS HB2 H 3.330 0.030 2 341 35 35 HIS HB3 H 3.014 0.030 2 342 35 35 HIS HD2 H 6.421 0.030 1 343 35 35 HIS HE1 H 7.616 0.030 1 344 35 35 HIS C C 175.728 0.300 1 345 35 35 HIS CA C 57.118 0.300 1 346 35 35 HIS CB C 31.544 0.300 1 347 35 35 HIS CD2 C 122.927 0.300 1 348 35 35 HIS CE1 C 139.068 0.300 1 349 35 35 HIS N N 126.179 0.300 1 350 36 36 GLU H H 8.332 0.030 1 351 36 36 GLU HA H 4.465 0.030 1 352 36 36 GLU HB2 H 1.999 0.030 1 353 36 36 GLU HB3 H 1.999 0.030 1 354 36 36 GLU HG2 H 2.176 0.030 2 355 36 36 GLU HG3 H 2.085 0.030 2 356 36 36 GLU C C 174.150 0.300 1 357 36 36 GLU CA C 55.991 0.300 1 358 36 36 GLU CB C 34.239 0.300 1 359 36 36 GLU CG C 36.120 0.300 1 360 36 36 GLU N N 116.491 0.300 1 361 37 37 LYS H H 8.774 0.030 1 362 37 37 LYS HA H 4.182 0.030 1 363 37 37 LYS HB2 H 1.271 0.030 2 364 37 37 LYS HB3 H 1.449 0.030 2 365 37 37 LYS HD2 H 1.007 0.030 2 366 37 37 LYS HD3 H 1.159 0.030 2 367 37 37 LYS HE2 H 2.093 0.030 1 368 37 37 LYS HE3 H 2.093 0.030 1 369 37 37 LYS HG2 H 0.527 0.030 2 370 37 37 LYS HG3 H -0.867 0.030 2 371 37 37 LYS C C 175.778 0.300 1 372 37 37 LYS CA C 55.914 0.300 1 373 37 37 LYS CB C 32.640 0.300 1 374 37 37 LYS CD C 30.188 0.300 1 375 37 37 LYS CE C 41.369 0.300 1 376 37 37 LYS CG C 23.939 0.300 1 377 37 37 LYS N N 125.870 0.300 1 378 38 38 LYS H H 7.769 0.030 1 379 38 38 LYS HA H 4.491 0.030 1 380 38 38 LYS HB2 H 2.107 0.030 1 381 38 38 LYS HB3 H 2.107 0.030 1 382 38 38 LYS HD2 H 1.674 0.030 1 383 38 38 LYS HD3 H 1.674 0.030 1 384 38 38 LYS HE2 H 2.668 0.030 2 385 38 38 LYS HE3 H 2.850 0.030 2 386 38 38 LYS HG2 H 1.479 0.030 2 387 38 38 LYS HG3 H 1.368 0.030 2 388 38 38 LYS C C 176.262 0.300 1 389 38 38 LYS CA C 56.647 0.300 1 390 38 38 LYS CB C 33.270 0.300 1 391 38 38 LYS CD C 29.365 0.300 1 392 38 38 LYS CE C 41.751 0.300 1 393 38 38 LYS CG C 25.703 0.300 1 394 38 38 LYS N N 123.539 0.300 1 395 39 39 GLU H H 8.428 0.030 1 396 39 39 GLU HA H 4.450 0.030 1 397 39 39 GLU HB2 H 2.248 0.030 2 398 39 39 GLU HB3 H 2.044 0.030 2 399 39 39 GLU HG2 H 2.319 0.030 2 400 39 39 GLU HG3 H 1.746 0.030 2 401 39 39 GLU C C 176.648 0.300 1 402 39 39 GLU CA C 56.015 0.300 1 403 39 39 GLU CB C 31.354 0.300 1 404 39 39 GLU CG C 36.345 0.300 1 405 40 40 GLU H H 8.921 0.030 1 406 40 40 GLU HA H 4.104 0.030 1 407 40 40 GLU HB2 H 2.194 0.030 2 408 40 40 GLU HB3 H 2.100 0.030 2 409 40 40 GLU HG2 H 2.258 0.030 1 410 40 40 GLU HG3 H 2.258 0.030 1 411 40 40 GLU C C 177.149 0.300 1 412 40 40 GLU CA C 57.865 0.300 1 413 40 40 GLU CB C 28.494 0.300 1 414 40 40 GLU CG C 36.483 0.300 1 415 40 40 GLU N N 117.421 0.300 1 416 41 41 GLY H H 8.540 0.030 1 417 41 41 GLY HA2 H 3.665 0.030 2 418 41 41 GLY HA3 H 3.897 0.030 2 419 41 41 GLY C C 174.309 0.300 1 420 41 41 GLY CA C 45.678 0.300 1 421 41 41 GLY N N 105.192 0.300 1 422 42 42 TRP H H 7.481 0.030 1 423 42 42 TRP HA H 4.821 0.030 1 424 42 42 TRP HB2 H 2.995 0.030 2 425 42 42 TRP HB3 H 2.893 0.030 2 426 42 42 TRP HD1 H 7.039 0.030 1 427 42 42 TRP HE1 H 10.049 0.030 1 428 42 42 TRP HE3 H 7.153 0.030 1 429 42 42 TRP HH2 H 7.216 0.030 1 430 42 42 TRP HZ2 H 7.444 0.030 1 431 42 42 TRP HZ3 H 6.644 0.030 1 432 42 42 TRP C C 174.216 0.300 1 433 42 42 TRP CA C 56.727 0.300 1 434 42 42 TRP CB C 31.239 0.300 1 435 42 42 TRP CD1 C 127.367 0.300 1 436 42 42 TRP CE3 C 119.490 0.300 1 437 42 42 TRP CH2 C 124.560 0.300 1 438 42 42 TRP CZ2 C 114.346 0.300 1 439 42 42 TRP CZ3 C 120.365 0.300 1 440 42 42 TRP N N 122.052 0.300 1 441 42 42 TRP NE1 N 130.013 0.300 1 442 43 43 TRP H H 8.569 0.030 1 443 43 43 TRP HA H 5.269 0.030 1 444 43 43 TRP HB2 H 2.077 0.030 2 445 43 43 TRP HB3 H 2.727 0.030 2 446 43 43 TRP HD1 H 7.072 0.030 1 447 43 43 TRP HE1 H 10.109 0.030 1 448 43 43 TRP HE3 H 7.418 0.030 1 449 43 43 TRP HH2 H 7.156 0.030 1 450 43 43 TRP HZ2 H 7.444 0.030 1 451 43 43 TRP HZ3 H 6.783 0.030 1 452 43 43 TRP C C 172.879 0.300 1 453 43 43 TRP CA C 53.097 0.300 1 454 43 43 TRP CB C 33.076 0.300 1 455 43 43 TRP CD1 C 122.956 0.300 1 456 43 43 TRP CE3 C 120.321 0.300 1 457 43 43 TRP CH2 C 124.474 0.300 1 458 43 43 TRP CZ2 C 114.361 0.300 1 459 43 43 TRP CZ3 C 122.257 0.300 1 460 43 43 TRP N N 124.490 0.300 1 461 43 43 TRP NE1 N 128.388 0.300 1 462 44 44 PHE H H 8.866 0.030 1 463 44 44 PHE HA H 5.125 0.030 1 464 44 44 PHE HB2 H 2.755 0.030 2 465 44 44 PHE HB3 H 2.986 0.030 2 466 44 44 PHE HD1 H 6.312 0.030 1 467 44 44 PHE HD2 H 6.312 0.030 1 468 44 44 PHE HE1 H 7.125 0.030 1 469 44 44 PHE HE2 H 7.125 0.030 1 470 44 44 PHE HZ H 7.126 0.030 1 471 44 44 PHE C C 175.828 0.300 1 472 44 44 PHE CA C 56.039 0.300 1 473 44 44 PHE CB C 43.085 0.300 1 474 44 44 PHE CD1 C 131.220 0.300 1 475 44 44 PHE CD2 C 131.220 0.300 1 476 44 44 PHE CE1 C 131.064 0.300 1 477 44 44 PHE CE2 C 131.064 0.300 1 478 44 44 PHE CZ C 129.667 0.300 1 479 44 44 PHE N N 119.703 0.300 1 480 45 45 GLY H H 8.653 0.030 1 481 45 45 GLY HA2 H 4.159 0.030 2 482 45 45 GLY HA3 H 4.399 0.030 2 483 45 45 GLY C C 169.649 0.300 1 484 45 45 GLY CA C 46.674 0.300 1 485 45 45 GLY N N 116.696 0.300 1 486 46 46 SER H H 8.721 0.030 1 487 46 46 SER HA H 5.496 0.030 1 488 46 46 SER HB2 H 3.535 0.030 2 489 46 46 SER HB3 H 3.474 0.030 2 490 46 46 SER C C 172.779 0.300 1 491 46 46 SER CA C 56.817 0.300 1 492 46 46 SER CB C 66.686 0.300 1 493 46 46 SER N N 112.084 0.300 1 494 47 47 LEU H H 8.748 0.030 1 495 47 47 LEU HA H 4.605 0.030 1 496 47 47 LEU HB2 H 1.293 0.030 2 497 47 47 LEU HB3 H 1.688 0.030 2 498 47 47 LEU HD1 H 0.836 0.030 1 499 47 47 LEU HD2 H 0.848 0.030 1 500 47 47 LEU HG H 1.349 0.030 1 501 47 47 LEU C C 176.158 0.300 1 502 47 47 LEU CA C 54.533 0.300 1 503 47 47 LEU CB C 45.986 0.300 1 504 47 47 LEU CD1 C 23.623 0.300 2 505 47 47 LEU CD2 C 26.777 0.300 2 506 47 47 LEU CG C 27.700 0.300 1 507 47 47 LEU N N 123.739 0.300 1 508 48 48 ASN H H 9.659 0.030 1 509 48 48 ASN HA H 4.379 0.030 1 510 48 48 ASN HB2 H 2.733 0.030 2 511 48 48 ASN HB3 H 3.021 0.030 2 512 48 48 ASN HD21 H 7.116 0.030 2 513 48 48 ASN HD22 H 7.764 0.030 2 514 48 48 ASN C C 175.009 0.300 1 515 48 48 ASN CA C 54.277 0.300 1 516 48 48 ASN CB C 37.386 0.300 1 517 48 48 ASN N N 127.281 0.300 1 518 48 48 ASN ND2 N 114.553 0.300 1 519 49 49 GLY H H 8.734 0.030 1 520 49 49 GLY HA2 H 3.551 0.030 2 521 49 49 GLY HA3 H 4.173 0.030 2 522 49 49 GLY C C 173.662 0.300 1 523 49 49 GLY CA C 45.387 0.300 1 524 49 49 GLY N N 104.155 0.300 1 525 50 50 LYS H H 7.772 0.030 1 526 50 50 LYS HA H 4.552 0.030 1 527 50 50 LYS HB2 H 1.818 0.030 2 528 50 50 LYS HB3 H 1.744 0.030 2 529 50 50 LYS HD2 H 1.715 0.030 1 530 50 50 LYS HD3 H 1.715 0.030 1 531 50 50 LYS HE2 H 3.044 0.030 1 532 50 50 LYS HE3 H 3.044 0.030 1 533 50 50 LYS HG2 H 1.433 0.030 2 534 50 50 LYS HG3 H 1.343 0.030 2 535 50 50 LYS C C 174.593 0.300 1 536 50 50 LYS CA C 54.883 0.300 1 537 50 50 LYS CB C 34.408 0.300 1 538 50 50 LYS CD C 29.050 0.300 1 539 50 50 LYS CE C 42.377 0.300 1 540 50 50 LYS CG C 25.213 0.300 1 541 50 50 LYS N N 122.516 0.300 1 542 51 51 LYS H H 8.403 0.030 1 543 51 51 LYS HA H 5.277 0.030 1 544 51 51 LYS HB2 H 1.563 0.030 2 545 51 51 LYS HB3 H 1.495 0.030 2 546 51 51 LYS HD2 H 1.573 0.030 1 547 51 51 LYS HD3 H 1.573 0.030 1 548 51 51 LYS HE2 H 2.820 0.030 1 549 51 51 LYS HE3 H 2.820 0.030 1 550 51 51 LYS HG2 H 1.140 0.030 2 551 51 51 LYS HG3 H 1.312 0.030 2 552 51 51 LYS C C 176.932 0.300 1 553 51 51 LYS CA C 54.202 0.300 1 554 51 51 LYS CB C 35.153 0.300 1 555 51 51 LYS CD C 29.612 0.300 1 556 51 51 LYS CE C 41.955 0.300 1 557 51 51 LYS CG C 24.954 0.300 1 558 51 51 LYS N N 120.749 0.300 1 559 52 52 GLY H H 8.362 0.030 1 560 52 52 GLY HA2 H 3.991 0.030 2 561 52 52 GLY HA3 H 3.812 0.030 2 562 52 52 GLY C C 170.846 0.300 1 563 52 52 GLY CA C 45.788 0.300 1 564 52 52 GLY N N 107.194 0.300 1 565 53 53 HIS H H 9.371 0.030 1 566 53 53 HIS HA H 5.963 0.030 1 567 53 53 HIS HB2 H 2.926 0.030 2 568 53 53 HIS HB3 H 3.062 0.030 2 569 53 53 HIS HD2 H 6.682 0.030 1 570 53 53 HIS HE1 H 7.698 0.030 1 571 53 53 HIS C C 175.657 0.300 1 572 53 53 HIS CA C 56.834 0.300 1 573 53 53 HIS CB C 31.906 0.300 1 574 53 53 HIS CD2 C 125.162 0.300 1 575 53 53 HIS CE1 C 138.804 0.300 1 576 53 53 HIS N N 117.833 0.300 1 577 54 54 PHE H H 8.713 0.030 1 578 54 54 PHE HA H 4.785 0.030 1 579 54 54 PHE HB2 H 3.076 0.030 2 580 54 54 PHE HB3 H 2.377 0.030 2 581 54 54 PHE HD1 H 6.742 0.030 1 582 54 54 PHE HD2 H 6.742 0.030 1 583 54 54 PHE HE1 H 6.909 0.030 1 584 54 54 PHE HE2 H 6.909 0.030 1 585 54 54 PHE HZ H 7.011 0.030 1 586 54 54 PHE C C 170.358 0.300 1 587 54 54 PHE CA C 54.775 0.300 1 588 54 54 PHE CB C 38.125 0.300 1 589 54 54 PHE CD1 C 133.497 0.300 1 590 54 54 PHE CD2 C 133.497 0.300 1 591 54 54 PHE CE1 C 130.325 0.300 1 592 54 54 PHE CE2 C 130.325 0.300 1 593 54 54 PHE CZ C 128.703 0.300 1 594 54 54 PHE N N 116.503 0.300 1 595 55 55 PRO HA H 3.778 0.030 1 596 55 55 PRO HB2 H 1.252 0.030 1 597 55 55 PRO HB3 H 1.252 0.030 1 598 55 55 PRO HD2 H 2.131 0.030 2 599 55 55 PRO HD3 H 2.058 0.030 2 600 55 55 PRO HG2 H 0.351 0.030 2 601 55 55 PRO HG3 H 0.730 0.030 2 602 55 55 PRO CA C 61.230 0.300 1 603 55 55 PRO CB C 30.565 0.300 1 604 55 55 PRO CD C 49.426 0.300 1 605 55 55 PRO CG C 27.371 0.300 1 606 56 56 ALA H H 7.578 0.030 1 607 56 56 ALA HA H 2.688 0.030 1 608 56 56 ALA HB H -0.086 0.030 1 609 56 56 ALA C C 177.337 0.300 1 610 56 56 ALA CA C 54.083 0.300 1 611 56 56 ALA CB C 16.589 0.300 1 612 56 56 ALA N N 128.215 0.300 1 613 57 57 ALA H H 8.109 0.030 1 614 57 57 ALA HA H 4.019 0.030 1 615 57 57 ALA HB H 1.157 0.030 1 616 57 57 ALA CA C 53.087 0.300 1 617 57 57 ALA CB C 17.887 0.300 1 618 58 58 TYR H H 7.615 0.030 1 619 58 58 TYR HA H 4.525 0.030 1 620 58 58 TYR HB2 H 3.331 0.030 2 621 58 58 TYR HB3 H 2.963 0.030 2 622 58 58 TYR HD1 H 6.914 0.030 1 623 58 58 TYR HD2 H 6.914 0.030 1 624 58 58 TYR HE1 H 6.947 0.030 1 625 58 58 TYR HE2 H 6.947 0.030 1 626 58 58 TYR C C 175.037 0.300 1 627 58 58 TYR CA C 58.203 0.300 1 628 58 58 TYR CB C 37.817 0.300 1 629 58 58 TYR CD1 C 131.879 0.300 1 630 58 58 TYR CD2 C 131.879 0.300 1 631 58 58 TYR CE1 C 118.447 0.300 1 632 58 58 TYR CE2 C 118.447 0.300 1 633 58 58 TYR N N 116.112 0.300 1 634 59 59 VAL H H 7.520 0.030 1 635 59 59 VAL HA H 5.344 0.030 1 636 59 59 VAL HB H 1.657 0.030 1 637 59 59 VAL HG1 H 0.596 0.030 1 638 59 59 VAL HG2 H 0.924 0.030 1 639 59 59 VAL C C 173.555 0.300 1 640 59 59 VAL CA C 58.493 0.300 1 641 59 59 VAL CB C 36.316 0.300 1 642 59 59 VAL CG1 C 20.252 0.300 2 643 59 59 VAL CG2 C 18.672 0.300 2 644 59 59 VAL N N 110.267 0.300 1 645 60 60 GLU H H 8.640 0.030 1 646 60 60 GLU HA H 4.786 0.030 1 647 60 60 GLU HB2 H 1.902 0.030 2 648 60 60 GLU HB3 H 1.870 0.030 2 649 60 60 GLU HG2 H 2.205 0.030 2 650 60 60 GLU HG3 H 2.116 0.030 2 651 60 60 GLU C C 176.322 0.300 1 652 60 60 GLU CA C 53.943 0.300 1 653 60 60 GLU CB C 33.573 0.300 1 654 60 60 GLU CG C 35.930 0.300 1 655 60 60 GLU N N 118.491 0.300 1 656 61 61 GLU H H 9.328 0.030 1 657 61 61 GLU HA H 4.268 0.030 1 658 61 61 GLU HB2 H 2.082 0.030 2 659 61 61 GLU HB3 H 2.029 0.030 2 660 61 61 GLU HG2 H 2.428 0.030 2 661 61 61 GLU HG3 H 2.207 0.030 2 662 61 61 GLU C C 175.992 0.300 1 663 61 61 GLU CA C 58.110 0.300 1 664 61 61 GLU CB C 30.609 0.300 1 665 61 61 GLU CG C 37.843 0.300 1 666 61 61 GLU N N 127.296 0.300 1 667 62 62 LEU H H 8.373 0.030 1 668 62 62 LEU HA H 4.656 0.030 1 669 62 62 LEU HB2 H 1.507 0.030 1 670 62 62 LEU HB3 H 1.507 0.030 1 671 62 62 LEU HD1 H 0.809 0.030 1 672 62 62 LEU HD2 H 0.840 0.030 1 673 62 62 LEU HG H 1.556 0.030 1 674 62 62 LEU C C 175.066 0.300 1 675 62 62 LEU CA C 52.848 0.300 1 676 62 62 LEU CB C 41.033 0.300 1 677 62 62 LEU CD1 C 25.492 0.300 2 678 62 62 LEU CD2 C 23.062 0.300 2 679 62 62 LEU CG C 27.717 0.300 1 680 62 62 LEU N N 126.480 0.300 1 681 63 63 PRO HA H 4.457 0.030 1 682 63 63 PRO HB2 H 2.294 0.030 1 683 63 63 PRO HB3 H 2.294 0.030 1 684 63 63 PRO HD2 H 3.823 0.030 2 685 63 63 PRO HD3 H 3.590 0.030 2 686 63 63 PRO HG2 H 2.002 0.030 1 687 63 63 PRO HG3 H 2.002 0.030 1 688 63 63 PRO C C 176.993 0.300 1 689 63 63 PRO CA C 62.970 0.300 1 690 63 63 PRO CB C 32.131 0.300 1 691 63 63 PRO CD C 50.488 0.300 1 692 63 63 PRO CG C 27.414 0.300 1 693 64 64 SER C C 176.968 0.300 1 694 65 65 ASN HA H 4.746 0.030 1 695 65 65 ASN HB2 H 2.798 0.030 2 696 65 65 ASN HB3 H 2.734 0.030 2 697 65 65 ASN HD21 H 7.598 0.030 2 698 65 65 ASN HD22 H 6.894 0.030 2 699 65 65 ASN C C 175.135 0.300 1 700 65 65 ASN CA C 53.090 0.300 1 701 65 65 ASN CB C 38.718 0.300 1 702 65 65 ASN ND2 N 112.694 0.300 1 703 66 66 ALA H H 8.217 0.030 1 704 66 66 ALA HA H 4.233 0.030 1 705 66 66 ALA HB H 1.354 0.030 1 706 66 66 ALA C C 178.155 0.300 1 707 66 66 ALA CA C 52.990 0.300 1 708 66 66 ALA CB C 19.228 0.300 1 709 66 66 ALA N N 123.942 0.300 1 710 67 67 GLY H H 8.355 0.030 1 711 67 67 GLY HA2 H 3.891 0.030 1 712 67 67 GLY HA3 H 3.891 0.030 1 713 67 67 GLY C C 174.046 0.300 1 714 67 67 GLY CA C 45.349 0.300 1 715 67 67 GLY N N 107.566 0.300 1 716 68 68 ASN H H 8.240 0.030 1 717 68 68 ASN HA H 4.784 0.030 1 718 68 68 ASN HB2 H 2.799 0.030 1 719 68 68 ASN HB3 H 2.799 0.030 1 720 68 68 ASN C C 175.633 0.300 1 721 68 68 ASN CA C 53.286 0.300 1 722 68 68 ASN CB C 38.790 0.300 1 723 68 68 ASN N N 118.710 0.300 1 724 69 69 THR H H 8.136 0.030 1 725 69 69 THR HA H 4.817 0.030 1 726 69 69 THR HB H 4.212 0.030 1 727 69 69 THR HG2 H 1.155 0.030 1 728 69 69 THR C C 174.415 0.300 1 729 69 69 THR CA C 61.932 0.300 1 730 69 69 THR CB C 69.693 0.300 1 731 69 69 THR CG2 C 21.595 0.300 1 732 69 69 THR N N 114.366 0.300 1 733 70 70 ALA H H 8.298 0.030 1 734 70 70 ALA HA H 4.330 0.030 1 735 70 70 ALA HB H 1.354 0.030 1 736 70 70 ALA C C 177.914 0.300 1 737 70 70 ALA CA C 52.690 0.300 1 738 70 70 ALA CB C 19.223 0.300 1 739 70 70 ALA N N 126.332 0.300 1 740 71 71 THR H H 8.093 0.030 1 741 71 71 THR HA H 4.251 0.030 1 742 71 71 THR HB H 4.130 0.030 1 743 71 71 THR HG2 H 1.151 0.030 1 744 71 71 THR C C 174.482 0.300 1 745 71 71 THR CA C 61.953 0.300 1 746 71 71 THR CB C 69.874 0.300 1 747 71 71 THR CG2 C 21.575 0.300 1 748 71 71 THR N N 113.989 0.300 1 749 72 72 LYS H H 8.296 0.030 1 750 72 72 LYS HA H 4.274 0.030 1 751 72 72 LYS HB2 H 1.788 0.030 2 752 72 72 LYS HB3 H 1.711 0.030 2 753 72 72 LYS HD2 H 1.738 0.030 1 754 72 72 LYS HD3 H 1.738 0.030 1 755 72 72 LYS HE2 H 3.037 0.030 1 756 72 72 LYS HE3 H 3.037 0.030 1 757 72 72 LYS HG2 H 1.388 0.030 1 758 72 72 LYS HG3 H 1.388 0.030 1 759 72 72 LYS C C 176.188 0.300 1 760 72 72 LYS CA C 56.183 0.300 1 761 72 72 LYS CB C 33.083 0.300 1 762 72 72 LYS CD C 29.252 0.300 1 763 72 72 LYS CE C 42.171 0.300 1 764 72 72 LYS CG C 24.500 0.300 1 765 72 72 LYS N N 124.283 0.300 1 766 73 73 ALA H H 8.388 0.030 1 767 73 73 ALA HA H 4.329 0.030 1 768 73 73 ALA HB H 1.355 0.030 1 769 73 73 ALA C C 177.702 0.300 1 770 73 73 ALA CA C 52.689 0.300 1 771 73 73 ALA CB C 19.194 0.300 1 772 73 73 ALA N N 125.996 0.300 1 773 74 74 SER H H 8.297 0.030 1 774 74 74 SER HA H 4.440 0.030 1 775 74 74 SER HB2 H 3.869 0.030 2 776 74 74 SER HB3 H 3.818 0.030 2 777 74 74 SER C C 174.564 0.300 1 778 74 74 SER CA C 58.346 0.300 1 779 74 74 SER CB C 63.907 0.300 1 780 74 74 SER N N 115.448 0.300 1 781 75 75 GLY H H 8.190 0.030 1 782 75 75 GLY HA2 H 4.103 0.030 2 783 75 75 GLY HA3 H 4.065 0.030 2 784 75 75 GLY C C 171.773 0.300 1 785 75 75 GLY CA C 44.618 0.300 1 786 75 75 GLY N N 110.598 0.300 1 787 76 76 PRO HA H 4.434 0.030 1 788 76 76 PRO HB2 H 2.294 0.030 2 789 76 76 PRO HB3 H 1.909 0.030 2 790 76 76 PRO HD2 H 3.578 0.030 1 791 76 76 PRO HD3 H 3.578 0.030 1 792 76 76 PRO HG2 H 2.004 0.030 1 793 76 76 PRO HG3 H 2.004 0.030 1 794 76 76 PRO CA C 63.201 0.300 1 795 76 76 PRO CB C 32.150 0.300 1 796 76 76 PRO CD C 49.766 0.300 1 797 76 76 PRO CG C 27.419 0.300 1 798 77 77 SER H H 8.512 0.030 1 799 77 77 SER HA H 4.443 0.030 1 800 77 77 SER HB2 H 3.856 0.030 1 801 77 77 SER HB3 H 3.856 0.030 1 802 77 77 SER C C 174.628 0.300 1 803 77 77 SER CA C 58.349 0.300 1 804 77 77 SER CB C 63.648 0.300 1 805 77 77 SER N N 116.266 0.300 1 806 78 78 SER H H 8.301 0.030 1 807 78 78 SER HA H 4.442 0.030 1 808 78 78 SER HB2 H 3.865 0.030 2 809 78 78 SER HB3 H 3.827 0.030 2 810 78 78 SER C C 173.922 0.300 1 811 78 78 SER CA C 58.351 0.300 1 812 78 78 SER CB C 63.853 0.300 1 813 78 78 SER N N 117.765 0.300 1 814 79 79 GLY H H 8.031 0.030 1 815 79 79 GLY C C 178.994 0.300 1 816 79 79 GLY CA C 46.191 0.300 1 817 79 79 GLY N N 116.858 0.300 1 stop_ save_