data_10122 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the second SH3 domain of human intersectin 2 (KIAA1256) ; _BMRB_accession_number 10122 _BMRB_flat_file_name bmr10122.str _Entry_type new _Submission_date 2007-04-02 _Accession_date 2007-04-03 _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 Nameki N. . . 2 Koshiba S. . . 3 Tochio N. . . 4 Kobayashi N. . . 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" 424 "13C chemical shifts" 313 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-09-02 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the second SH3 domain of human intersectin 2 (KIAA1256)' _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 Nameki N. . . 2 Koshiba S. . . 3 Tochio N. . . 4 Kobayashi N. . . 5 Inoue M. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation 'Not known' _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 'Intersectin 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Intersectin 2' $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 74 _Mol_residue_sequence ; GSSGSSGVENLKAQALCSWT AKKDNHLNFSKHDIITVLEQ QENWWFGEVHGGRGWFPKSY VKIIPGSESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 GLU 10 ASN 11 LEU 12 LYS 13 ALA 14 GLN 15 ALA 16 LEU 17 CYS 18 SER 19 TRP 20 THR 21 ALA 22 LYS 23 LYS 24 ASP 25 ASN 26 HIS 27 LEU 28 ASN 29 PHE 30 SER 31 LYS 32 HIS 33 ASP 34 ILE 35 ILE 36 THR 37 VAL 38 LEU 39 GLU 40 GLN 41 GLN 42 GLU 43 ASN 44 TRP 45 TRP 46 PHE 47 GLY 48 GLU 49 VAL 50 HIS 51 GLY 52 GLY 53 ARG 54 GLY 55 TRP 56 PHE 57 PRO 58 LYS 59 SER 60 TYR 61 VAL 62 LYS 63 ILE 64 ILE 65 PRO 66 GLY 67 SER 68 GLU 69 SER 70 GLY 71 PRO 72 SER 73 SER 74 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1J3T "Solution Structure Of The Second Sh3 Domain Of Human Intersectin 2 (Kiaa1256)" 100.00 74 100.00 100.00 2.32e-45 REF XP_007110328 "PREDICTED: intersectin-2-like [Physeter catodon]" 82.43 964 100.00 100.00 2.24e-35 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' . . . . plasmid P021015-57 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.5 mM '[U-13C; U-15N]' phosphate 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name kujira _Version 0.771 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name OPALp _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 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 6.0 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_ _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 'Intersectin 2' _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 3 3 SER HA H 4.508 0.030 1 2 3 3 SER HB2 H 3.905 0.030 1 3 3 3 SER HB3 H 3.905 0.030 1 4 3 3 SER CA C 58.220 0.300 1 5 3 3 SER CB C 63.484 0.300 1 6 4 4 GLY H H 8.468 0.030 1 7 4 4 GLY HA2 H 4.024 0.030 1 8 4 4 GLY HA3 H 4.024 0.030 1 9 4 4 GLY C C 173.896 0.300 1 10 4 4 GLY CA C 44.923 0.300 1 11 4 4 GLY N N 111.282 0.300 1 12 5 5 SER H H 8.278 0.030 1 13 5 5 SER HA H 4.567 0.030 1 14 5 5 SER HB2 H 3.895 0.030 1 15 5 5 SER HB3 H 3.895 0.030 1 16 5 5 SER C C 174.430 0.300 1 17 5 5 SER CA C 57.891 0.300 1 18 5 5 SER CB C 63.478 0.300 1 19 5 5 SER N N 116.140 0.300 1 20 6 6 SER H H 8.584 0.030 1 21 6 6 SER HA H 4.498 0.030 1 22 6 6 SER HB2 H 3.905 0.030 1 23 6 6 SER HB3 H 3.905 0.030 1 24 6 6 SER C C 174.625 0.300 1 25 6 6 SER CA C 58.178 0.300 1 26 6 6 SER CB C 63.313 0.300 1 27 6 6 SER N N 118.377 0.300 1 28 7 7 GLY H H 8.407 0.030 1 29 7 7 GLY HA2 H 3.984 0.030 1 30 7 7 GLY HA3 H 3.984 0.030 1 31 7 7 GLY C C 173.605 0.300 1 32 7 7 GLY CA C 44.993 0.300 1 33 7 7 GLY N N 111.261 0.300 1 34 8 8 VAL H H 7.914 0.030 1 35 8 8 VAL HA H 4.142 0.030 1 36 8 8 VAL HB H 2.037 0.030 1 37 8 8 VAL HG1 H 0.846 0.030 1 38 8 8 VAL HG2 H 0.846 0.030 1 39 8 8 VAL C C 175.596 0.300 1 40 8 8 VAL CA C 61.563 0.300 1 41 8 8 VAL CB C 32.402 0.300 1 42 8 8 VAL CG1 C 19.857 0.300 2 43 8 8 VAL CG2 C 20.829 0.300 2 44 8 8 VAL N N 118.976 0.300 1 45 9 9 GLU H H 8.455 0.030 1 46 9 9 GLU HA H 4.300 0.030 1 47 9 9 GLU HB2 H 1.862 0.030 2 48 9 9 GLU HB3 H 1.973 0.030 2 49 9 9 GLU HG2 H 2.205 0.030 1 50 9 9 GLU HG3 H 2.205 0.030 1 51 9 9 GLU C C 175.504 0.300 1 52 9 9 GLU CA C 55.816 0.300 1 53 9 9 GLU CB C 30.059 0.300 1 54 9 9 GLU CG C 35.496 0.300 1 55 9 9 GLU N N 124.668 0.300 1 56 10 10 ASN H H 8.396 0.030 1 57 10 10 ASN HA H 4.655 0.030 1 58 10 10 ASN HB2 H 2.561 0.030 2 59 10 10 ASN HB3 H 2.808 0.030 2 60 10 10 ASN HD21 H 7.508 0.030 2 61 10 10 ASN HD22 H 6.899 0.030 2 62 10 10 ASN C C 174.175 0.300 1 63 10 10 ASN CA C 52.890 0.300 1 64 10 10 ASN CB C 39.255 0.300 1 65 10 10 ASN N N 120.168 0.300 1 66 10 10 ASN ND2 N 113.109 0.300 1 67 11 11 LEU H H 8.286 0.030 1 68 11 11 LEU HA H 4.354 0.030 1 69 11 11 LEU HB2 H 1.422 0.030 2 70 11 11 LEU HB3 H 1.547 0.030 2 71 11 11 LEU HG H 1.428 0.030 1 72 11 11 LEU HD1 H 0.782 0.030 1 73 11 11 LEU HD2 H 0.658 0.030 1 74 11 11 LEU C C 174.704 0.300 1 75 11 11 LEU CA C 54.653 0.300 1 76 11 11 LEU CB C 43.210 0.300 1 77 11 11 LEU CG C 26.469 0.300 1 78 11 11 LEU CD1 C 24.450 0.300 2 79 11 11 LEU CD2 C 24.024 0.300 2 80 11 11 LEU N N 123.358 0.300 1 81 12 12 LYS H H 8.685 0.030 1 82 12 12 LYS HA H 5.267 0.030 1 83 12 12 LYS HB2 H 1.506 0.030 2 84 12 12 LYS HB3 H 1.694 0.030 2 85 12 12 LYS HG2 H 1.355 0.030 2 86 12 12 LYS HG3 H 1.446 0.030 2 87 12 12 LYS HD2 H 1.591 0.030 2 88 12 12 LYS HD3 H 1.465 0.030 2 89 12 12 LYS HE2 H 2.903 0.030 1 90 12 12 LYS HE3 H 2.903 0.030 1 91 12 12 LYS C C 174.636 0.300 1 92 12 12 LYS CA C 53.489 0.300 1 93 12 12 LYS CB C 35.382 0.300 1 94 12 12 LYS CG C 24.620 0.300 1 95 12 12 LYS CD C 28.492 0.300 1 96 12 12 LYS CE C 41.922 0.300 1 97 12 12 LYS N N 122.752 0.300 1 98 13 13 ALA H H 9.111 0.030 1 99 13 13 ALA HA H 5.149 0.030 1 100 13 13 ALA HB H 1.075 0.030 1 101 13 13 ALA C C 173.848 0.300 1 102 13 13 ALA CA C 49.442 0.300 1 103 13 13 ALA CB C 22.713 0.300 1 104 13 13 ALA N N 121.817 0.300 1 105 14 14 GLN H H 9.154 0.030 1 106 14 14 GLN HA H 5.095 0.030 1 107 14 14 GLN HB2 H 1.717 0.030 2 108 14 14 GLN HB3 H 1.944 0.030 2 109 14 14 GLN HG2 H 2.086 0.030 2 110 14 14 GLN HG3 H 2.144 0.030 2 111 14 14 GLN HE21 H 6.884 0.030 2 112 14 14 GLN HE22 H 7.549 0.030 2 113 14 14 GLN C C 175.377 0.300 1 114 14 14 GLN CA C 53.031 0.300 1 115 14 14 GLN CB C 31.248 0.300 1 116 14 14 GLN CG C 33.504 0.300 1 117 14 14 GLN N N 121.538 0.300 1 118 14 14 GLN NE2 N 111.996 0.300 1 119 15 15 ALA H H 8.963 0.030 1 120 15 15 ALA HA H 4.356 0.030 1 121 15 15 ALA HB H 1.427 0.030 1 122 15 15 ALA C C 178.832 0.300 1 123 15 15 ALA CA C 52.360 0.300 1 124 15 15 ALA CB C 19.975 0.300 1 125 15 15 ALA N N 128.181 0.300 1 126 16 16 LEU H H 9.639 0.030 1 127 16 16 LEU HA H 4.196 0.030 1 128 16 16 LEU HB2 H 1.534 0.030 1 129 16 16 LEU HB3 H 1.534 0.030 1 130 16 16 LEU HG H 1.478 0.030 1 131 16 16 LEU HD1 H 0.739 0.030 1 132 16 16 LEU HD2 H 0.795 0.030 1 133 16 16 LEU C C 175.686 0.300 1 134 16 16 LEU CA C 55.111 0.300 1 135 16 16 LEU CB C 42.303 0.300 1 136 16 16 LEU CG C 26.486 0.300 1 137 16 16 LEU CD1 C 24.999 0.300 2 138 16 16 LEU CD2 C 21.861 0.300 2 139 16 16 LEU N N 127.521 0.300 1 140 17 17 CYS H H 7.828 0.030 1 141 17 17 CYS HA H 4.484 0.030 1 142 17 17 CYS HB2 H 2.866 0.030 2 143 17 17 CYS HB3 H 2.847 0.030 2 144 17 17 CYS C C 171.153 0.300 1 145 17 17 CYS CA C 54.828 0.300 1 146 17 17 CYS CB C 29.706 0.300 1 147 17 17 CYS N N 113.581 0.300 1 148 18 18 SER H H 8.611 0.030 1 149 18 18 SER HA H 4.646 0.030 1 150 18 18 SER HB2 H 4.096 0.030 2 151 18 18 SER HB3 H 3.913 0.030 2 152 18 18 SER C C 172.391 0.300 1 153 18 18 SER CA C 58.076 0.300 1 154 18 18 SER CB C 63.425 0.300 1 155 18 18 SER N N 116.415 0.300 1 156 19 19 TRP H H 8.232 0.030 1 157 19 19 TRP HA H 4.712 0.030 1 158 19 19 TRP HB2 H 2.358 0.030 2 159 19 19 TRP HB3 H 1.667 0.030 2 160 19 19 TRP HD1 H 6.945 0.030 1 161 19 19 TRP HE1 H 9.387 0.030 1 162 19 19 TRP HE3 H 7.383 0.030 1 163 19 19 TRP HZ2 H 7.422 0.030 1 164 19 19 TRP HZ3 H 7.283 0.030 1 165 19 19 TRP HH2 H 7.194 0.030 1 166 19 19 TRP C C 173.576 0.300 1 167 19 19 TRP CA C 56.874 0.300 1 168 19 19 TRP CB C 31.914 0.300 1 169 19 19 TRP CD1 C 127.811 0.300 1 170 19 19 TRP CE3 C 121.877 0.300 1 171 19 19 TRP CZ2 C 113.379 0.300 1 172 19 19 TRP CZ3 C 121.619 0.300 1 173 19 19 TRP CH2 C 123.907 0.300 1 174 19 19 TRP N N 124.873 0.300 1 175 19 19 TRP NE1 N 126.847 0.300 1 176 20 20 THR H H 7.255 0.030 1 177 20 20 THR HA H 4.333 0.030 1 178 20 20 THR HB H 3.696 0.030 1 179 20 20 THR HG2 H 1.022 0.030 1 180 20 20 THR C C 172.221 0.300 1 181 20 20 THR CA C 59.412 0.300 1 182 20 20 THR CB C 69.621 0.300 1 183 20 20 THR CG2 C 20.953 0.300 1 184 20 20 THR N N 120.874 0.300 1 185 21 21 ALA H H 7.786 0.030 1 186 21 21 ALA HA H 3.795 0.030 1 187 21 21 ALA HB H 1.242 0.030 1 188 21 21 ALA C C 177.816 0.300 1 189 21 21 ALA CA C 52.220 0.300 1 190 21 21 ALA CB C 19.975 0.300 1 191 21 21 ALA N N 127.113 0.300 1 192 22 22 LYS H H 9.269 0.030 1 193 22 22 LYS HA H 4.384 0.030 1 194 22 22 LYS HB2 H 2.014 0.030 2 195 22 22 LYS HB3 H 1.814 0.030 2 196 22 22 LYS HG2 H 1.473 0.030 2 197 22 22 LYS HG3 H 1.400 0.030 2 198 22 22 LYS HD2 H 1.630 0.030 1 199 22 22 LYS HD3 H 1.630 0.030 1 200 22 22 LYS HE2 H 2.930 0.030 1 201 22 22 LYS HE3 H 2.930 0.030 1 202 22 22 LYS C C 175.631 0.300 1 203 22 22 LYS CA C 55.358 0.300 1 204 22 22 LYS CB C 32.993 0.300 1 205 22 22 LYS CG C 24.421 0.300 1 206 22 22 LYS CD C 28.137 0.300 1 207 22 22 LYS CE C 41.844 0.300 1 208 22 22 LYS N N 122.865 0.300 1 209 23 23 LYS H H 7.438 0.030 1 210 23 23 LYS HA H 4.414 0.030 1 211 23 23 LYS HB2 H 1.505 0.030 2 212 23 23 LYS HB3 H 0.754 0.030 2 213 23 23 LYS HG2 H 1.140 0.030 2 214 23 23 LYS HG3 H 1.169 0.030 2 215 23 23 LYS HD2 H 1.496 0.030 1 216 23 23 LYS HD3 H 1.496 0.030 1 217 23 23 LYS HE2 H 2.874 0.030 1 218 23 23 LYS HE3 H 2.874 0.030 1 219 23 23 LYS C C 176.445 0.300 1 220 23 23 LYS CA C 53.983 0.300 1 221 23 23 LYS CB C 34.888 0.300 1 222 23 23 LYS CG C 24.421 0.300 1 223 23 23 LYS CD C 28.385 0.300 1 224 23 23 LYS CE C 41.679 0.300 1 225 23 23 LYS N N 119.556 0.300 1 226 24 24 ASP H H 8.534 0.030 1 227 24 24 ASP HA H 4.396 0.030 1 228 24 24 ASP HB2 H 2.705 0.030 1 229 24 24 ASP HB3 H 2.705 0.030 1 230 24 24 ASP C C 176.154 0.300 1 231 24 24 ASP CA C 56.028 0.300 1 232 24 24 ASP CB C 40.079 0.300 1 233 24 24 ASP N N 120.816 0.300 1 234 25 25 ASN H H 8.219 0.030 1 235 25 25 ASN HA H 5.106 0.030 1 236 25 25 ASN HB2 H 3.066 0.030 2 237 25 25 ASN HB3 H 3.393 0.030 2 238 25 25 ASN HD21 H 6.697 0.030 2 239 25 25 ASN HD22 H 7.626 0.030 2 240 25 25 ASN C C 175.207 0.300 1 241 25 25 ASN CA C 52.372 0.300 1 242 25 25 ASN CB C 37.195 0.300 1 243 25 25 ASN N N 115.448 0.300 1 244 25 25 ASN ND2 N 110.263 0.300 1 245 26 26 HIS H H 7.869 0.030 1 246 26 26 HIS HA H 5.966 0.030 1 247 26 26 HIS HB2 H 3.587 0.030 1 248 26 26 HIS HB3 H 3.587 0.030 1 249 26 26 HIS HD2 H 6.992 0.030 1 250 26 26 HIS HE1 H 8.044 0.030 1 251 26 26 HIS C C 175.267 0.300 1 252 26 26 HIS CA C 53.912 0.300 1 253 26 26 HIS CB C 33.817 0.300 1 254 26 26 HIS CD2 C 116.384 0.300 1 255 26 26 HIS CE1 C 138.142 0.300 1 256 26 26 HIS N N 118.710 0.300 1 257 27 27 LEU H H 8.924 0.030 1 258 27 27 LEU HA H 4.424 0.030 1 259 27 27 LEU HB2 H 1.916 0.030 2 260 27 27 LEU HB3 H 1.144 0.030 2 261 27 27 LEU HG H 0.655 0.030 1 262 27 27 LEU HD1 H 1.721 0.030 1 263 27 27 LEU HD2 H 0.933 0.030 1 264 27 27 LEU C C 173.423 0.300 1 265 27 27 LEU CA C 53.525 0.300 1 266 27 27 LEU CB C 44.704 0.300 1 267 27 27 LEU CG C 25.809 0.300 1 268 27 27 LEU CD1 C 26.155 0.300 2 269 27 27 LEU CD2 C 22.522 0.300 2 270 27 27 LEU N N 125.326 0.300 1 271 28 28 ASN H H 7.765 0.030 1 272 28 28 ASN HA H 5.016 0.030 1 273 28 28 ASN HB2 H 2.653 0.030 1 274 28 28 ASN HB3 H 2.653 0.030 1 275 28 28 ASN HD21 H 7.044 0.030 2 276 28 28 ASN HD22 H 7.598 0.030 2 277 28 28 ASN C C 175.097 0.300 1 278 28 28 ASN CA C 52.495 0.300 1 279 28 28 ASN CB C 41.891 0.300 1 280 28 28 ASN N N 118.971 0.300 1 281 28 28 ASN ND2 N 116.050 0.300 1 282 29 29 PHE H H 8.293 0.030 1 283 29 29 PHE HA H 4.936 0.030 1 284 29 29 PHE HB2 H 3.402 0.030 2 285 29 29 PHE HB3 H 3.281 0.030 2 286 29 29 PHE HD1 H 6.716 0.030 1 287 29 29 PHE HD2 H 6.716 0.030 1 288 29 29 PHE HE1 H 7.054 0.030 1 289 29 29 PHE HE2 H 7.054 0.030 1 290 29 29 PHE HZ H 6.623 0.030 1 291 29 29 PHE C C 174.236 0.300 1 292 29 29 PHE CA C 56.518 0.300 1 293 29 29 PHE CB C 39.803 0.300 1 294 29 29 PHE CD1 C 132.302 0.300 1 295 29 29 PHE CD2 C 132.302 0.300 1 296 29 29 PHE CE1 C 130.827 0.300 1 297 29 29 PHE CE2 C 130.827 0.300 1 298 29 29 PHE CZ C 128.066 0.300 1 299 29 29 PHE N N 114.752 0.300 1 300 30 30 SER H H 9.522 0.030 1 301 30 30 SER HA H 5.016 0.030 1 302 30 30 SER HB2 H 3.887 0.030 2 303 30 30 SER HB3 H 3.694 0.030 2 304 30 30 SER C C 172.609 0.300 1 305 30 30 SER CA C 56.280 0.300 1 306 30 30 SER CB C 64.804 0.300 1 307 30 30 SER N N 117.688 0.300 1 308 31 31 LYS H H 8.147 0.030 1 309 31 31 LYS HA H 3.121 0.030 1 310 31 31 LYS HB2 H 1.444 0.030 1 311 31 31 LYS HB3 H 1.444 0.030 1 312 31 31 LYS HG2 H 0.707 0.030 2 313 31 31 LYS HG3 H 0.119 0.030 2 314 31 31 LYS HD2 H 1.493 0.030 1 315 31 31 LYS HD3 H 1.493 0.030 1 316 31 31 LYS HE2 H 2.762 0.030 2 317 31 31 LYS HE3 H 2.815 0.030 2 318 31 31 LYS C C 175.801 0.300 1 319 31 31 LYS CA C 58.946 0.300 1 320 31 31 LYS CB C 32.274 0.300 1 321 31 31 LYS CG C 23.815 0.300 1 322 31 31 LYS CD C 29.376 0.300 1 323 31 31 LYS CE C 41.349 0.300 1 324 31 31 LYS N N 124.261 0.300 1 325 32 32 HIS H H 8.366 0.030 1 326 32 32 HIS HA H 4.211 0.030 1 327 32 32 HIS HB2 H 3.814 0.030 2 328 32 32 HIS HB3 H 3.296 0.030 2 329 32 32 HIS HD2 H 7.034 0.030 1 330 32 32 HIS HE1 H 8.041 0.030 1 331 32 32 HIS C C 175.025 0.300 1 332 32 32 HIS CA C 58.254 0.300 1 333 32 32 HIS CB C 28.132 0.300 1 334 32 32 HIS CD2 C 119.370 0.300 1 335 32 32 HIS CE1 C 137.511 0.300 1 336 32 32 HIS N N 117.177 0.300 1 337 33 33 ASP H H 8.331 0.030 1 338 33 33 ASP HA H 4.620 0.030 1 339 33 33 ASP HB2 H 2.962 0.030 2 340 33 33 ASP HB3 H 2.324 0.030 2 341 33 33 ASP C C 174.631 0.300 1 342 33 33 ASP CA C 55.710 0.300 1 343 33 33 ASP CB C 41.315 0.300 1 344 33 33 ASP N N 122.593 0.300 1 345 34 34 ILE H H 8.323 0.030 1 346 34 34 ILE HA H 4.626 0.030 1 347 34 34 ILE HB H 1.838 0.030 1 348 34 34 ILE HG12 H 1.197 0.030 2 349 34 34 ILE HG13 H 1.597 0.030 2 350 34 34 ILE HG2 H 0.751 0.030 1 351 34 34 ILE HD1 H 0.774 0.030 1 352 34 34 ILE C C 174.770 0.300 1 353 34 34 ILE CA C 59.306 0.300 1 354 34 34 ILE CB C 36.701 0.300 1 355 34 34 ILE CG1 C 26.807 0.300 1 356 34 34 ILE CG2 C 17.197 0.300 1 357 34 34 ILE CD1 C 10.950 0.300 1 358 34 34 ILE N N 119.884 0.300 1 359 35 35 ILE H H 9.304 0.030 1 360 35 35 ILE HA H 3.986 0.030 1 361 35 35 ILE HB H 1.150 0.030 1 362 35 35 ILE HG12 H 0.207 0.030 2 363 35 35 ILE HG13 H 0.758 0.030 2 364 35 35 ILE HG2 H 0.391 0.030 1 365 35 35 ILE HD1 H -0.608 0.030 1 366 35 35 ILE C C 175.996 0.300 1 367 35 35 ILE CA C 59.545 0.300 1 368 35 35 ILE CB C 41.727 0.300 1 369 35 35 ILE CG1 C 27.923 0.300 1 370 35 35 ILE CG2 C 17.815 0.300 1 371 35 35 ILE CD1 C 13.522 0.300 1 372 35 35 ILE N N 130.812 0.300 1 373 36 36 THR H H 8.625 0.030 1 374 36 36 THR HA H 4.541 0.030 1 375 36 36 THR HB H 4.145 0.030 1 376 36 36 THR HG2 H 1.102 0.030 1 377 36 36 THR C C 173.249 0.300 1 378 36 36 THR CA C 62.690 0.300 1 379 36 36 THR CB C 68.915 0.300 1 380 36 36 THR CG2 C 21.201 0.300 1 381 36 36 THR N N 124.230 0.300 1 382 37 37 VAL H H 9.063 0.030 1 383 37 37 VAL HA H 3.868 0.030 1 384 37 37 VAL HB H 1.809 0.030 1 385 37 37 VAL HG1 H 0.465 0.030 1 386 37 37 VAL HG2 H 0.928 0.030 1 387 37 37 VAL C C 174.122 0.300 1 388 37 37 VAL CA C 63.889 0.300 1 389 37 37 VAL CB C 31.308 0.300 1 390 37 37 VAL CG1 C 21.223 0.300 2 391 37 37 VAL CG2 C 21.903 0.300 2 392 37 37 VAL N N 130.252 0.300 1 393 38 38 LEU H H 9.226 0.030 1 394 38 38 LEU HA H 4.525 0.030 1 395 38 38 LEU HB2 H 1.604 0.030 2 396 38 38 LEU HB3 H 1.687 0.030 2 397 38 38 LEU HG H 1.534 0.030 1 398 38 38 LEU HD1 H 0.733 0.030 1 399 38 38 LEU HD2 H 0.794 0.030 1 400 38 38 LEU C C 176.759 0.300 1 401 38 38 LEU CA C 55.181 0.300 1 402 38 38 LEU CB C 43.792 0.300 1 403 38 38 LEU CG C 26.898 0.300 1 404 38 38 LEU CD1 C 24.641 0.300 2 405 38 38 LEU CD2 C 22.357 0.300 2 406 38 38 LEU N N 128.084 0.300 1 407 39 39 GLU H H 7.920 0.030 1 408 39 39 GLU HA H 4.501 0.030 1 409 39 39 GLU HB2 H 1.934 0.030 2 410 39 39 GLU HB3 H 1.809 0.030 2 411 39 39 GLU HG2 H 2.151 0.030 2 412 39 39 GLU HG3 H 2.228 0.030 2 413 39 39 GLU C C 173.920 0.300 1 414 39 39 GLU CA C 55.673 0.300 1 415 39 39 GLU CB C 33.076 0.300 1 416 39 39 GLU CG C 35.899 0.300 1 417 39 39 GLU N N 117.644 0.300 1 418 40 40 GLN H H 8.894 0.030 1 419 40 40 GLN HA H 4.564 0.030 1 420 40 40 GLN HB2 H 1.611 0.030 2 421 40 40 GLN HB3 H 1.683 0.030 2 422 40 40 GLN HG2 H 1.265 0.030 2 423 40 40 GLN HG3 H -0.063 0.030 2 424 40 40 GLN HE21 H 4.976 0.030 2 425 40 40 GLN HE22 H 6.446 0.030 2 426 40 40 GLN C C 175.322 0.300 1 427 40 40 GLN CA C 55.181 0.300 1 428 40 40 GLN CB C 31.671 0.300 1 429 40 40 GLN CG C 32.321 0.300 1 430 40 40 GLN N N 122.830 0.300 1 431 40 40 GLN NE2 N 110.531 0.300 1 432 41 41 GLN H H 8.309 0.030 1 433 41 41 GLN HA H 4.808 0.030 1 434 41 41 GLN HB2 H 2.521 0.030 1 435 41 41 GLN HB3 H 2.521 0.030 1 436 41 41 GLN HG2 H 2.585 0.030 1 437 41 41 GLN HG3 H 2.585 0.030 1 438 41 41 GLN HE21 H 7.749 0.030 2 439 41 41 GLN HE22 H 6.622 0.030 2 440 41 41 GLN C C 174.886 0.300 1 441 41 41 GLN CA C 54.723 0.300 1 442 41 41 GLN CB C 28.593 0.300 1 443 41 41 GLN CG C 33.835 0.300 1 444 41 41 GLN N N 123.533 0.300 1 445 41 41 GLN NE2 N 112.402 0.300 1 446 42 42 GLU H H 8.644 0.030 1 447 42 42 GLU HA H 4.000 0.030 1 448 42 42 GLU HB2 H 2.201 0.030 2 449 42 42 GLU HB3 H 2.067 0.030 2 450 42 42 GLU HG2 H 2.285 0.030 1 451 42 42 GLU HG3 H 2.285 0.030 1 452 42 42 GLU C C 176.421 0.300 1 453 42 42 GLU CA C 60.259 0.300 1 454 42 42 GLU CB C 28.861 0.300 1 455 42 42 GLU CG C 35.550 0.300 1 456 42 42 GLU N N 120.361 0.300 1 457 43 43 ASN H H 8.972 0.030 1 458 43 43 ASN HA H 4.738 0.030 1 459 43 43 ASN HB2 H 2.740 0.030 2 460 43 43 ASN HB3 H 2.638 0.030 2 461 43 43 ASN HD21 H 7.093 0.030 2 462 43 43 ASN HD22 H 7.574 0.030 2 463 43 43 ASN C C 173.896 0.300 1 464 43 43 ASN CA C 53.508 0.300 1 465 43 43 ASN CB C 40.398 0.300 1 466 43 43 ASN N N 113.179 0.300 1 467 43 43 ASN ND2 N 115.210 0.300 1 468 44 44 TRP H H 7.623 0.030 1 469 44 44 TRP HA H 4.844 0.030 1 470 44 44 TRP HB2 H 3.296 0.030 2 471 44 44 TRP HB3 H 2.934 0.030 2 472 44 44 TRP HD1 H 7.240 0.030 1 473 44 44 TRP HE1 H 10.157 0.030 1 474 44 44 TRP HE3 H 7.287 0.030 1 475 44 44 TRP HZ2 H 7.507 0.030 1 476 44 44 TRP HZ3 H 6.412 0.030 1 477 44 44 TRP HH2 H 7.226 0.030 1 478 44 44 TRP C C 173.213 0.300 1 479 44 44 TRP CA C 55.992 0.300 1 480 44 44 TRP CB C 31.454 0.300 1 481 44 44 TRP CD1 C 126.748 0.300 1 482 44 44 TRP CE3 C 119.135 0.300 1 483 44 44 TRP CZ2 C 114.264 0.300 1 484 44 44 TRP CZ3 C 120.363 0.300 1 485 44 44 TRP CH2 C 124.242 0.300 1 486 44 44 TRP N N 122.313 0.300 1 487 44 44 TRP NE1 N 130.166 0.300 1 488 45 45 TRP H H 9.092 0.030 1 489 45 45 TRP HA H 5.453 0.030 1 490 45 45 TRP HB2 H 2.777 0.030 2 491 45 45 TRP HB3 H 2.174 0.030 2 492 45 45 TRP HD1 H 7.361 0.030 1 493 45 45 TRP HE1 H 10.484 0.030 1 494 45 45 TRP HE3 H 7.300 0.030 1 495 45 45 TRP HZ2 H 7.424 0.030 1 496 45 45 TRP HZ3 H 6.682 0.030 1 497 45 45 TRP HH2 H 7.146 0.030 1 498 45 45 TRP C C 171.820 0.300 1 499 45 45 TRP CA C 52.326 0.300 1 500 45 45 TRP CB C 33.779 0.300 1 501 45 45 TRP CD1 C 122.759 0.300 1 502 45 45 TRP CE3 C 120.239 0.300 1 503 45 45 TRP CZ2 C 114.540 0.300 1 504 45 45 TRP CZ3 C 120.684 0.300 1 505 45 45 TRP CH2 C 124.245 0.300 1 506 45 45 TRP N N 123.789 0.300 1 507 45 45 TRP NE1 N 129.908 0.300 1 508 46 46 PHE H H 8.768 0.030 1 509 46 46 PHE HA H 4.686 0.030 1 510 46 46 PHE HB2 H 2.064 0.030 2 511 46 46 PHE HB3 H 0.305 0.030 2 512 46 46 PHE HD1 H 5.751 0.030 1 513 46 46 PHE HD2 H 5.751 0.030 1 514 46 46 PHE HE1 H 7.084 0.030 1 515 46 46 PHE HE2 H 7.084 0.030 1 516 46 46 PHE C C 175.777 0.300 1 517 46 46 PHE CA C 54.829 0.300 1 518 46 46 PHE CB C 40.883 0.300 1 519 46 46 PHE CD1 C 131.101 0.300 1 520 46 46 PHE CD2 C 131.101 0.300 1 521 46 46 PHE CE1 C 130.156 0.300 1 522 46 46 PHE CE2 C 130.156 0.300 1 523 46 46 PHE N N 122.273 0.300 1 524 47 47 GLY H H 8.514 0.030 1 525 47 47 GLY HA2 H 4.624 0.030 2 526 47 47 GLY HA3 H 3.885 0.030 2 527 47 47 GLY C C 168.798 0.300 1 528 47 47 GLY CA C 45.732 0.300 1 529 47 47 GLY N N 114.383 0.300 1 530 48 48 GLU H H 8.685 0.030 1 531 48 48 GLU HA H 5.557 0.030 1 532 48 48 GLU HB2 H 1.777 0.030 2 533 48 48 GLU HB3 H 1.848 0.030 2 534 48 48 GLU HG2 H 2.045 0.030 2 535 48 48 GLU HG3 H 2.107 0.030 2 536 48 48 GLU C C 175.389 0.300 1 537 48 48 GLU CA C 53.534 0.300 1 538 48 48 GLU CB C 34.553 0.300 1 539 48 48 GLU CG C 35.734 0.300 1 540 48 48 GLU N N 117.859 0.300 1 541 49 49 VAL H H 8.523 0.030 1 542 49 49 VAL HA H 4.329 0.030 1 543 49 49 VAL HB H 2.205 0.030 1 544 49 49 VAL HG1 H 0.516 0.030 1 545 49 49 VAL HG2 H 0.897 0.030 1 546 49 49 VAL C C 173.576 0.300 1 547 49 49 VAL CA C 61.739 0.300 1 548 49 49 VAL CB C 32.993 0.300 1 549 49 49 VAL CG1 C 21.180 0.300 2 550 49 49 VAL CG2 C 19.219 0.300 2 551 49 49 VAL N N 122.640 0.300 1 552 50 50 HIS H H 9.423 0.030 1 553 50 50 HIS HA H 4.513 0.030 1 554 50 50 HIS HB2 H 3.464 0.030 1 555 50 50 HIS HB3 H 3.464 0.030 1 556 50 50 HIS HD2 H 7.332 0.030 1 557 50 50 HIS HE1 H 8.514 0.030 1 558 50 50 HIS C C 174.667 0.300 1 559 50 50 HIS CA C 56.033 0.300 1 560 50 50 HIS CB C 27.137 0.300 1 561 50 50 HIS CD2 C 119.929 0.300 1 562 50 50 HIS CE1 C 136.749 0.300 1 563 50 50 HIS N N 124.905 0.300 1 564 51 51 GLY H H 9.085 0.030 1 565 51 51 GLY HA2 H 4.209 0.030 2 566 51 51 GLY HA3 H 3.688 0.030 2 567 51 51 GLY C C 173.685 0.300 1 568 51 51 GLY CA C 45.381 0.300 1 569 51 51 GLY N N 106.472 0.300 1 570 52 52 GLY H H 8.032 0.030 1 571 52 52 GLY HA2 H 4.628 0.030 2 572 52 52 GLY HA3 H 3.745 0.030 2 573 52 52 GLY C C 171.104 0.300 1 574 52 52 GLY CA C 43.477 0.300 1 575 52 52 GLY N N 109.764 0.300 1 576 53 53 ARG H H 8.285 0.030 1 577 53 53 ARG HA H 5.574 0.030 1 578 53 53 ARG HB2 H 1.559 0.030 1 579 53 53 ARG HB3 H 1.559 0.030 1 580 53 53 ARG HG2 H 1.328 0.030 2 581 53 53 ARG HG3 H 1.572 0.030 2 582 53 53 ARG HD2 H 3.183 0.030 2 583 53 53 ARG HD3 H 3.021 0.030 2 584 53 53 ARG HE H 7.434 0.030 1 585 53 53 ARG C C 176.130 0.300 1 586 53 53 ARG CA C 53.825 0.300 1 587 53 53 ARG CB C 33.938 0.300 1 588 53 53 ARG CG C 27.273 0.300 1 589 53 53 ARG CD C 43.478 0.300 1 590 53 53 ARG N N 117.353 0.300 1 591 53 53 ARG NE N 108.017 0.300 1 592 54 54 GLY H H 7.945 0.030 1 593 54 54 GLY HA2 H 4.019 0.030 1 594 54 54 GLY HA3 H 4.019 0.030 1 595 54 54 GLY C C 170.976 0.300 1 596 54 54 GLY CA C 45.381 0.300 1 597 54 54 GLY N N 107.656 0.300 1 598 55 55 TRP H H 9.400 0.030 1 599 55 55 TRP HA H 5.954 0.030 1 600 55 55 TRP HB2 H 3.525 0.030 2 601 55 55 TRP HB3 H 3.171 0.030 2 602 55 55 TRP HD1 H 7.752 0.030 1 603 55 55 TRP HE1 H 10.264 0.030 1 604 55 55 TRP HE3 H 6.929 0.030 1 605 55 55 TRP HZ2 H 7.181 0.030 1 606 55 55 TRP HZ3 H 7.503 0.030 1 607 55 55 TRP HH2 H 7.026 0.030 1 608 55 55 TRP C C 177.767 0.300 1 609 55 55 TRP CA C 56.838 0.300 1 610 55 55 TRP CB C 31.675 0.300 1 611 55 55 TRP CD1 C 127.752 0.300 1 612 55 55 TRP CE3 C 121.109 0.300 1 613 55 55 TRP CZ2 C 114.790 0.300 1 614 55 55 TRP CZ3 C 120.314 0.300 1 615 55 55 TRP CH2 C 124.143 0.300 1 616 55 55 TRP N N 120.991 0.300 1 617 55 55 TRP NE1 N 131.712 0.300 1 618 56 56 PHE H H 9.602 0.030 1 619 56 56 PHE HA H 4.870 0.030 1 620 56 56 PHE HB2 H 3.270 0.030 2 621 56 56 PHE HB3 H 2.412 0.030 2 622 56 56 PHE HD1 H 6.984 0.030 1 623 56 56 PHE HD2 H 6.984 0.030 1 624 56 56 PHE HE1 H 6.806 0.030 1 625 56 56 PHE HE2 H 6.806 0.030 1 626 56 56 PHE HZ H 6.980 0.030 1 627 56 56 PHE C C 170.012 0.300 1 628 56 56 PHE CA C 55.462 0.300 1 629 56 56 PHE CB C 38.746 0.300 1 630 56 56 PHE CD1 C 134.089 0.300 1 631 56 56 PHE CD2 C 134.089 0.300 1 632 56 56 PHE CE1 C 129.540 0.300 1 633 56 56 PHE CE2 C 129.540 0.300 1 634 56 56 PHE CZ C 127.665 0.300 1 635 56 56 PHE N N 117.108 0.300 1 636 57 57 PRO HA H 3.368 0.030 1 637 57 57 PRO HB2 H 0.949 0.030 2 638 57 57 PRO HB3 H 1.125 0.030 2 639 57 57 PRO HG2 H 0.045 0.030 2 640 57 57 PRO HG3 H 0.450 0.030 2 641 57 57 PRO HD2 H 1.721 0.030 2 642 57 57 PRO HD3 H 1.793 0.030 2 643 57 57 PRO C C 177.690 0.300 1 644 57 57 PRO CA C 60.868 0.300 1 645 57 57 PRO CB C 30.147 0.300 1 646 57 57 PRO CG C 26.535 0.300 1 647 57 57 PRO CD C 49.111 0.300 1 648 58 58 LYS H H 7.315 0.030 1 649 58 58 LYS HA H 2.876 0.030 1 650 58 58 LYS HB2 H -0.102 0.030 1 651 58 58 LYS HB3 H -0.102 0.030 1 652 58 58 LYS HG2 H 0.457 0.030 2 653 58 58 LYS HG3 H 0.846 0.030 2 654 58 58 LYS HD2 H 1.375 0.030 2 655 58 58 LYS HD3 H 1.478 0.030 2 656 58 58 LYS HE2 H 2.894 0.030 2 657 58 58 LYS HE3 H 2.945 0.030 2 658 58 58 LYS C C 176.104 0.300 1 659 58 58 LYS CA C 57.914 0.300 1 660 58 58 LYS CB C 29.259 0.300 1 661 58 58 LYS CG C 23.088 0.300 1 662 58 58 LYS CD C 29.395 0.300 1 663 58 58 LYS CE C 42.177 0.300 1 664 58 58 LYS N N 124.948 0.300 1 665 59 59 SER H H 7.745 0.030 1 666 59 59 SER HA H 4.026 0.030 1 667 59 59 SER HB2 H 3.822 0.030 2 668 59 59 SER HB3 H 3.646 0.030 2 669 59 59 SER C C 175.340 0.300 1 670 59 59 SER CA C 59.158 0.300 1 671 59 59 SER CB C 62.407 0.300 1 672 59 59 SER N N 112.354 0.300 1 673 60 60 TYR H H 7.484 0.030 1 674 60 60 TYR HA H 4.395 0.030 1 675 60 60 TYR HB2 H 3.044 0.030 2 676 60 60 TYR HB3 H 3.540 0.030 2 677 60 60 TYR HD1 H 6.857 0.030 1 678 60 60 TYR HD2 H 6.857 0.030 1 679 60 60 TYR HE1 H 6.664 0.030 1 680 60 60 TYR HE2 H 6.664 0.030 1 681 60 60 TYR C C 174.806 0.300 1 682 60 60 TYR CA C 57.825 0.300 1 683 60 60 TYR CB C 37.525 0.300 1 684 60 60 TYR CD1 C 131.292 0.300 1 685 60 60 TYR CD2 C 131.292 0.300 1 686 60 60 TYR CE1 C 117.985 0.300 1 687 60 60 TYR CE2 C 117.985 0.300 1 688 60 60 TYR N N 120.930 0.300 1 689 61 61 VAL H H 7.524 0.030 1 690 61 61 VAL HA H 5.300 0.030 1 691 61 61 VAL HB H 1.691 0.030 1 692 61 61 VAL HG1 H 0.256 0.030 1 693 61 61 VAL HG2 H 0.709 0.030 1 694 61 61 VAL C C 173.095 0.300 1 695 61 61 VAL CA C 57.811 0.300 1 696 61 61 VAL CB C 35.300 0.300 1 697 61 61 VAL CG1 C 21.162 0.300 2 698 61 61 VAL CG2 C 19.588 0.300 2 699 61 61 VAL N N 109.811 0.300 1 700 62 62 LYS H H 8.476 0.030 1 701 62 62 LYS HA H 4.837 0.030 1 702 62 62 LYS HB2 H 1.757 0.030 1 703 62 62 LYS HB3 H 1.757 0.030 1 704 62 62 LYS HG2 H 1.441 0.030 1 705 62 62 LYS HG3 H 1.441 0.030 1 706 62 62 LYS HD2 H 1.691 0.030 1 707 62 62 LYS HD3 H 1.691 0.030 1 708 62 62 LYS HE2 H 2.944 0.030 1 709 62 62 LYS HE3 H 2.944 0.030 1 710 62 62 LYS C C 175.499 0.300 1 711 62 62 LYS CA C 53.842 0.300 1 712 62 62 LYS CB C 35.959 0.300 1 713 62 62 LYS CG C 23.843 0.300 1 714 62 62 LYS CD C 29.219 0.300 1 715 62 62 LYS CE C 41.762 0.300 1 716 62 62 LYS N N 118.626 0.300 1 717 63 63 ILE H H 8.967 0.030 1 718 63 63 ILE HA H 4.250 0.030 1 719 63 63 ILE HB H 1.942 0.030 1 720 63 63 ILE HG12 H 1.804 0.030 2 721 63 63 ILE HG13 H 1.451 0.030 2 722 63 63 ILE HG2 H 0.978 0.030 1 723 63 63 ILE HD1 H 0.930 0.030 1 724 63 63 ILE C C 175.704 0.300 1 725 63 63 ILE CA C 61.527 0.300 1 726 63 63 ILE CB C 37.723 0.300 1 727 63 63 ILE CG1 C 27.846 0.300 1 728 63 63 ILE CG2 C 17.367 0.300 1 729 63 63 ILE CD1 C 12.158 0.300 1 730 63 63 ILE N N 127.087 0.300 1 731 64 64 ILE H H 8.544 0.030 1 732 64 64 ILE HA H 4.591 0.030 1 733 64 64 ILE HB H 1.767 0.030 1 734 64 64 ILE HG12 H 0.986 0.030 2 735 64 64 ILE HG13 H 1.478 0.030 2 736 64 64 ILE HG2 H 0.913 0.030 1 737 64 64 ILE HD1 H 0.762 0.030 1 738 64 64 ILE C C 173.540 0.300 1 739 64 64 ILE CA C 57.931 0.300 1 740 64 64 ILE CB C 38.424 0.300 1 741 64 64 ILE CG1 C 26.486 0.300 1 742 64 64 ILE CG2 C 17.070 0.300 1 743 64 64 ILE CD1 C 13.547 0.300 1 744 64 64 ILE N N 127.765 0.300 1 745 65 65 PRO HA H 4.454 0.030 1 746 65 65 PRO HB2 H 2.333 0.030 2 747 65 65 PRO HB3 H 1.964 0.030 2 748 65 65 PRO HG2 H 1.984 0.030 2 749 65 65 PRO HG3 H 2.074 0.030 2 750 65 65 PRO HD2 H 3.724 0.030 2 751 65 65 PRO HD3 H 3.993 0.030 2 752 65 65 PRO C C 177.670 0.300 1 753 65 65 PRO CA C 62.858 0.300 1 754 65 65 PRO CB C 31.861 0.300 1 755 65 65 PRO CG C 27.108 0.300 1 756 65 65 PRO CD C 50.704 0.300 1 757 66 66 GLY H H 8.545 0.030 1 758 66 66 GLY HA2 H 4.024 0.030 2 759 66 66 GLY HA3 H 3.974 0.030 2 760 66 66 GLY C C 174.163 0.300 1 761 66 66 GLY CA C 45.064 0.300 1 762 66 66 GLY N N 109.918 0.300 1 763 67 67 SER H H 8.244 0.030 1 764 67 67 SER HA H 4.426 0.030 1 765 67 67 SER HB2 H 3.831 0.030 2 766 67 67 SER HB3 H 3.937 0.030 2 767 67 67 SER C C 174.285 0.300 1 768 67 67 SER CA C 58.234 0.300 1 769 67 67 SER CB C 63.313 0.300 1 770 67 67 SER N N 115.475 0.300 1 771 68 68 GLU H H 8.653 0.030 1 772 68 68 GLU HA H 4.369 0.030 1 773 68 68 GLU HB2 H 1.942 0.030 2 774 68 68 GLU HB3 H 2.096 0.030 2 775 68 68 GLU HG2 H 2.248 0.030 1 776 68 68 GLU HG3 H 2.248 0.030 1 777 68 68 GLU C C 176.140 0.300 1 778 68 68 GLU CA C 56.415 0.300 1 779 68 68 GLU CB C 29.596 0.300 1 780 68 68 GLU CG C 35.651 0.300 1 781 68 68 GLU N N 123.005 0.300 1 782 69 69 SER H H 8.287 0.030 1 783 69 69 SER HA H 4.501 0.030 1 784 69 69 SER HB2 H 3.860 0.030 1 785 69 69 SER HB3 H 3.860 0.030 1 786 69 69 SER C C 174.139 0.300 1 787 69 69 SER CA C 57.997 0.300 1 788 69 69 SER CB C 63.478 0.300 1 789 69 69 SER N N 116.780 0.300 1 790 70 70 GLY H H 8.203 0.030 1 791 70 70 GLY HA2 H 4.149 0.030 2 792 70 70 GLY HA3 H 4.071 0.030 2 793 70 70 GLY C C 171.347 0.300 1 794 70 70 GLY CA C 44.253 0.300 1 795 70 70 GLY N N 110.968 0.300 1 796 71 71 PRO HA H 4.475 0.030 1 797 71 71 PRO HB2 H 1.948 0.030 2 798 71 71 PRO HB3 H 2.264 0.030 2 799 71 71 PRO HG2 H 1.985 0.030 1 800 71 71 PRO HG3 H 1.985 0.030 1 801 71 71 PRO HD2 H 3.599 0.030 1 802 71 71 PRO HD3 H 3.599 0.030 1 803 71 71 PRO C C 177.211 0.300 1 804 71 71 PRO CA C 62.752 0.300 1 805 71 71 PRO CB C 31.771 0.300 1 806 71 71 PRO CG C 26.700 0.300 1 807 71 71 PRO CD C 49.360 0.300 1 808 72 72 SER H H 8.513 0.030 1 809 72 72 SER HA H 4.541 0.030 1 810 72 72 SER HB2 H 3.879 0.030 1 811 72 72 SER HB3 H 3.879 0.030 1 812 72 72 SER C C 174.309 0.300 1 813 72 72 SER CA C 57.970 0.300 1 814 72 72 SER CB C 63.642 0.300 1 815 72 72 SER N N 116.744 0.300 1 stop_ save_