data_10281 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the homeobox domain of the human paired box protein Pax-6 ; _BMRB_accession_number 10281 _BMRB_flat_file_name bmr10281.str _Entry_type new _Submission_date 2008-12-17 _Accession_date 2008-12-18 _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 Ohnishi S. . . 2 Kigawa T. . . 3 Tochio N. . . 4 Tomizawa T. . . 5 Koshiba S. . . 6 Inoue M. . . 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" 431 "13C chemical shifts" 316 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-12-17 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the homeobox domain of the human paired box protein Pax-6' _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 Ohnishi S. . . 2 Kigawa T. . . 3 Tochio N. . . 4 Tomizawa T. . . 5 Koshiba S. . . 6 Inoue M. . . 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 'Paired box protein Pax6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'homeobox 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 'homeobox domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; GSSGSSGQRNRTSFTQEQIE ALEKEFERTHYPDVFARERL AAKIDLPEARIQVWFSNRRA KWRREEKLRNQRRQSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 ARG 10 ASN 11 ARG 12 THR 13 SER 14 PHE 15 THR 16 GLN 17 GLU 18 GLN 19 ILE 20 GLU 21 ALA 22 LEU 23 GLU 24 LYS 25 GLU 26 PHE 27 GLU 28 ARG 29 THR 30 HIS 31 TYR 32 PRO 33 ASP 34 VAL 35 PHE 36 ALA 37 ARG 38 GLU 39 ARG 40 LEU 41 ALA 42 ALA 43 LYS 44 ILE 45 ASP 46 LEU 47 PRO 48 GLU 49 ALA 50 ARG 51 ILE 52 GLN 53 VAL 54 TRP 55 PHE 56 SER 57 ASN 58 ARG 59 ARG 60 ALA 61 LYS 62 TRP 63 ARG 64 ARG 65 GLU 66 GLU 67 LYS 68 LEU 69 ARG 70 ASN 71 GLN 72 ARG 73 ARG 74 GLN 75 SER 76 GLY 77 PRO 78 SER 79 SER 80 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-01 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 2CUE "Solution Structure Of The Homeobox Domain Of The Human Paired Box Protein Pax-6" 100.00 80 100.00 100.00 6.71e-49 DBJ BAA20936 "mdkPax-6 [Oryzias sp.]" 85.00 213 98.53 100.00 9.54e-39 DBJ BAA23004 "PAX6 protein [Gallus gallus]" 85.00 436 98.53 100.00 7.72e-38 DBJ BAA24024 "PAX6 LL [Cynops pyrrhogaster]" 85.00 452 98.53 100.00 1.11e-37 DBJ BAB62531 "paired box transcription factor Pax6 [Lethenteron camtschaticum]" 85.00 448 97.06 100.00 5.89e-37 DBJ BAC25729 "unnamed protein product [Mus musculus]" 85.00 422 98.53 100.00 6.18e-38 EMBL CAA04395 "Pax6 [Oryzias latipes]" 85.00 437 98.53 100.00 1.66e-37 EMBL CAA11364 "Pax6 [Branchiostoma floridae]" 78.75 483 100.00 100.00 7.05e-35 EMBL CAA11365 "Pax6 [Branchiostoma floridae]" 78.75 431 100.00 100.00 7.35e-35 EMBL CAA11366 "Pax6 [Branchiostoma floridae]" 78.75 439 100.00 100.00 9.13e-35 EMBL CAA11367 "Pax6 [Branchiostoma floridae]" 78.75 462 98.41 100.00 4.10e-34 GB AAA36416 "paired-box protein [Homo sapiens]" 85.00 422 98.53 100.00 5.81e-38 GB AAA40109 "oculorhombin [Mus musculus]" 85.00 284 98.53 100.00 4.11e-39 GB AAA59962 "oculorhombin [Homo sapiens]" 85.00 422 98.53 100.00 6.05e-38 GB AAB05932 "Xpax6 [Xenopus laevis]" 85.00 422 98.53 100.00 7.13e-38 GB AAB07733 "XLPAX6 [Xenopus laevis]" 85.00 407 98.53 100.00 1.45e-37 PIR S37689 "paired box transcription factor Pax-6 - quail [Coturnix coturnix]" 85.00 416 98.53 100.00 6.83e-38 PRF 1717390A "pax gene" 85.00 374 98.53 100.00 5.12e-38 PRF 1902328A "PAX6 gene" 85.00 422 98.53 100.00 5.81e-38 PRF 1911405A "PAX-6 gene" 85.00 269 98.53 100.00 8.15e-38 REF NP_000271 "paired box protein Pax-6 isoform a [Homo sapiens]" 85.00 422 98.53 100.00 5.81e-38 REF NP_001006763 "paired box protein Pax-6 [Xenopus (Silurana) tropicalis]" 85.00 424 98.53 100.00 6.01e-38 REF NP_001035735 "paired box protein Pax-6 [Bos taurus]" 85.00 422 98.53 100.00 6.18e-38 REF NP_001075686 "paired box protein Pax-6 [Oryctolagus cuniculus]" 85.00 436 98.53 100.00 7.64e-38 REF NP_001079413 "paired box 6 [Xenopus laevis]" 85.00 453 98.53 100.00 7.80e-38 SP O73917 "RecName: Full=Paired box protein Pax-6" 85.00 437 98.53 100.00 1.66e-37 SP P26367 "RecName: Full=Paired box protein Pax-6; AltName: Full=Aniridia type II protein; AltName: Full=Oculorhombin" 85.00 422 98.53 100.00 5.81e-38 SP P26630 "RecName: Full=Paired box protein Pax-6; AltName: Full=Pax[Zf-a]" 85.00 437 98.53 100.00 1.26e-37 SP P47237 "RecName: Full=Paired box protein Pax-6" 86.25 216 97.10 98.55 5.78e-40 SP P47238 "RecName: Full=Paired box protein Pax-6; AltName: Full=Pax-QNR" 85.00 416 98.53 100.00 6.83e-38 TPG DAA21851 "TPA: paired box protein Pax-6 [Bos taurus]" 85.00 422 98.53 100.00 6.18e-38 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 P040712-10 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 1.50 mM '[U-13C; U-15N]' d-TrisHCl 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 20030801 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 0.9295 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert. P.' . . stop_ loop_ _Task 'structure solution' 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 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 13C-separated NOESY' '3D 15N-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 'homeobox 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 8 8 GLN H H 8.925 0.030 1 2 8 8 GLN HA H 4.398 0.030 1 3 8 8 GLN HB2 H 2.175 0.030 2 4 8 8 GLN HB3 H 2.044 0.030 2 5 8 8 GLN HE21 H 7.498 0.030 2 6 8 8 GLN HE22 H 6.847 0.030 2 7 8 8 GLN HG2 H 2.416 0.030 2 8 8 8 GLN CA C 56.051 0.300 1 9 8 8 GLN CB C 29.491 0.300 1 10 8 8 GLN CG C 33.375 0.300 1 11 8 8 GLN NE2 N 111.848 0.300 1 12 12 12 THR HA H 4.352 0.030 1 13 12 12 THR HB H 4.256 0.030 1 14 12 12 THR HG2 H 1.185 0.030 1 15 12 12 THR CA C 61.819 0.300 1 16 12 12 THR CB C 69.783 0.300 1 17 12 12 THR CG2 C 21.708 0.300 1 18 13 13 SER HA H 4.465 0.030 1 19 13 13 SER HB2 H 3.822 0.030 2 20 13 13 SER HB3 H 3.822 0.030 2 21 13 13 SER C C 173.828 0.300 1 22 13 13 SER CA C 57.973 0.300 1 23 13 13 SER CB C 64.246 0.300 1 24 14 14 PHE H H 8.322 0.030 1 25 14 14 PHE HA H 5.035 0.030 1 26 14 14 PHE HB2 H 3.267 0.030 2 27 14 14 PHE HB3 H 2.864 0.030 2 28 14 14 PHE HD1 H 7.186 0.030 1 29 14 14 PHE HD2 H 7.186 0.030 1 30 14 14 PHE HE1 H 7.274 0.030 1 31 14 14 PHE HE2 H 7.274 0.030 1 32 14 14 PHE HZ H 7.400 0.030 1 33 14 14 PHE C C 176.750 0.300 1 34 14 14 PHE CA C 56.624 0.300 1 35 14 14 PHE CB C 41.174 0.300 1 36 14 14 PHE CD1 C 131.476 0.300 1 37 14 14 PHE CD2 C 131.476 0.300 1 38 14 14 PHE CE1 C 131.551 0.300 1 39 14 14 PHE CE2 C 131.551 0.300 1 40 14 14 PHE CZ C 129.210 0.300 1 41 14 14 PHE N N 121.036 0.300 1 42 15 15 THR H H 8.944 0.030 1 43 15 15 THR HA H 4.529 0.030 1 44 15 15 THR HB H 4.812 0.030 1 45 15 15 THR HG2 H 1.325 0.030 1 46 15 15 THR C C 175.433 0.300 1 47 15 15 THR CA C 60.644 0.300 1 48 15 15 THR CB C 70.784 0.300 1 49 15 15 THR CG2 C 21.799 0.300 1 50 15 15 THR N N 113.618 0.300 1 51 16 16 GLN H H 9.086 0.030 1 52 16 16 GLN HA H 4.016 0.030 1 53 16 16 GLN HB2 H 2.212 0.030 2 54 16 16 GLN HB3 H 2.041 0.030 2 55 16 16 GLN HE21 H 6.849 0.030 2 56 16 16 GLN HE22 H 7.833 0.030 2 57 16 16 GLN HG2 H 2.458 0.030 2 58 16 16 GLN HG3 H 2.457 0.030 2 59 16 16 GLN C C 178.149 0.300 1 60 16 16 GLN CA C 59.283 0.300 1 61 16 16 GLN CB C 27.943 0.300 1 62 16 16 GLN CG C 33.384 0.300 1 63 16 16 GLN N N 121.415 0.300 1 64 16 16 GLN NE2 N 112.646 0.300 1 65 17 17 GLU H H 8.837 0.030 1 66 17 17 GLU HA H 4.048 0.030 1 67 17 17 GLU HB2 H 1.947 0.030 2 68 17 17 GLU HB3 H 2.077 0.030 2 69 17 17 GLU HG2 H 2.389 0.030 2 70 17 17 GLU HG3 H 2.328 0.030 2 71 17 17 GLU C C 180.248 0.300 1 72 17 17 GLU CA C 60.156 0.300 1 73 17 17 GLU CB C 29.125 0.300 1 74 17 17 GLU CG C 37.059 0.300 1 75 17 17 GLU N N 117.930 0.300 1 76 18 18 GLN H H 7.738 0.030 1 77 18 18 GLN HA H 3.809 0.030 1 78 18 18 GLN HB2 H 2.698 0.030 2 79 18 18 GLN HB3 H 1.533 0.030 2 80 18 18 GLN HE21 H 6.597 0.030 2 81 18 18 GLN HE22 H 7.547 0.030 2 82 18 18 GLN HG2 H 2.399 0.030 2 83 18 18 GLN HG3 H 2.674 0.030 2 84 18 18 GLN C C 177.079 0.300 1 85 18 18 GLN CA C 59.358 0.300 1 86 18 18 GLN CB C 27.338 0.300 1 87 18 18 GLN CG C 34.874 0.300 1 88 18 18 GLN N N 119.421 0.300 1 89 18 18 GLN NE2 N 110.232 0.300 1 90 19 19 ILE H H 8.265 0.030 1 91 19 19 ILE HA H 3.240 0.030 1 92 19 19 ILE HB H 1.908 0.030 1 93 19 19 ILE HD1 H 0.811 0.030 1 94 19 19 ILE HG12 H 1.656 0.030 2 95 19 19 ILE HG13 H 1.160 0.030 2 96 19 19 ILE HG2 H 1.003 0.030 1 97 19 19 ILE C C 177.409 0.300 1 98 19 19 ILE CA C 64.693 0.300 1 99 19 19 ILE CB C 37.544 0.300 1 100 19 19 ILE CD1 C 12.741 0.300 1 101 19 19 ILE CG1 C 29.123 0.300 1 102 19 19 ILE CG2 C 17.828 0.300 1 103 19 19 ILE N N 118.326 0.300 1 104 20 20 GLU H H 8.304 0.030 1 105 20 20 GLU HA H 3.916 0.030 1 106 20 20 GLU HB2 H 1.980 0.030 2 107 20 20 GLU HB3 H 2.064 0.030 2 108 20 20 GLU HG2 H 2.244 0.030 2 109 20 20 GLU HG3 H 2.487 0.030 2 110 20 20 GLU C C 179.281 0.300 1 111 20 20 GLU CA C 59.674 0.300 1 112 20 20 GLU CB C 29.369 0.300 1 113 20 20 GLU CG C 36.739 0.300 1 114 20 20 GLU N N 117.948 0.300 1 115 21 21 ALA H H 7.335 0.030 1 116 21 21 ALA HA H 4.095 0.030 1 117 21 21 ALA HB H 1.469 0.030 1 118 21 21 ALA C C 180.825 0.300 1 119 21 21 ALA CA C 54.885 0.300 1 120 21 21 ALA CB C 19.190 0.300 1 121 21 21 ALA N N 120.460 0.300 1 122 22 22 LEU H H 8.100 0.030 1 123 22 22 LEU HA H 3.490 0.030 1 124 22 22 LEU HB2 H 0.570 0.030 2 125 22 22 LEU HB3 H -1.225 0.030 2 126 22 22 LEU HD1 H -0.667 0.030 1 127 22 22 LEU HD2 H 0.453 0.030 1 128 22 22 LEU HG H 1.099 0.030 1 129 22 22 LEU C C 177.861 0.300 1 130 22 22 LEU CA C 58.530 0.300 1 131 22 22 LEU CB C 37.691 0.300 1 132 22 22 LEU CD1 C 23.520 0.300 2 133 22 22 LEU CD2 C 23.694 0.300 2 134 22 22 LEU CG C 25.973 0.300 1 135 22 22 LEU N N 122.412 0.300 1 136 23 23 GLU H H 8.534 0.030 1 137 23 23 GLU HA H 4.360 0.030 1 138 23 23 GLU HB2 H 2.059 0.030 2 139 23 23 GLU HB3 H 2.101 0.030 2 140 23 23 GLU HG2 H 2.520 0.030 2 141 23 23 GLU HG3 H 2.421 0.030 2 142 23 23 GLU C C 180.413 0.300 1 143 23 23 GLU CA C 59.072 0.300 1 144 23 23 GLU CB C 28.905 0.300 1 145 23 23 GLU CG C 35.158 0.300 1 146 23 23 GLU N N 118.309 0.300 1 147 24 24 LYS H H 7.898 0.030 1 148 24 24 LYS HA H 4.170 0.030 1 149 24 24 LYS HB2 H 1.936 0.030 2 150 24 24 LYS HB3 H 1.999 0.030 2 151 24 24 LYS HD2 H 1.724 0.030 2 152 24 24 LYS HD3 H 1.726 0.030 2 153 24 24 LYS HE2 H 2.995 0.030 2 154 24 24 LYS HG2 H 1.548 0.030 2 155 24 24 LYS HG3 H 1.626 0.030 2 156 24 24 LYS C C 179.672 0.300 1 157 24 24 LYS CA C 59.144 0.300 1 158 24 24 LYS CB C 32.082 0.300 1 159 24 24 LYS CD C 28.924 0.300 1 160 24 24 LYS CE C 42.197 0.300 1 161 24 24 LYS CG C 25.262 0.300 1 162 24 24 LYS N N 119.449 0.300 1 163 25 25 GLU H H 7.887 0.030 1 164 25 25 GLU HA H 4.596 0.030 1 165 25 25 GLU HB2 H 2.379 0.030 2 166 25 25 GLU HB3 H 2.250 0.030 2 167 25 25 GLU HG2 H 2.368 0.030 2 168 25 25 GLU HG3 H 2.498 0.030 2 169 25 25 GLU C C 177.923 0.300 1 170 25 25 GLU CA C 58.799 0.300 1 171 25 25 GLU CB C 28.787 0.300 1 172 25 25 GLU CG C 34.913 0.300 1 173 25 25 GLU N N 121.941 0.300 1 174 26 26 PHE H H 8.843 0.030 1 175 26 26 PHE HA H 4.865 0.030 1 176 26 26 PHE HB2 H 3.353 0.030 2 177 26 26 PHE HB3 H 3.169 0.030 2 178 26 26 PHE HD1 H 7.230 0.030 1 179 26 26 PHE HD2 H 7.230 0.030 1 180 26 26 PHE HE1 H 6.725 0.030 1 181 26 26 PHE HE2 H 6.725 0.030 1 182 26 26 PHE HZ H 5.891 0.030 1 183 26 26 PHE C C 176.380 0.300 1 184 26 26 PHE CA C 60.798 0.300 1 185 26 26 PHE CB C 38.969 0.300 1 186 26 26 PHE CD1 C 132.104 0.300 1 187 26 26 PHE CD2 C 132.104 0.300 1 188 26 26 PHE CE1 C 130.244 0.300 1 189 26 26 PHE CE2 C 130.244 0.300 1 190 26 26 PHE CZ C 127.485 0.300 1 191 26 26 PHE N N 121.919 0.300 1 192 27 27 GLU H H 7.839 0.030 1 193 27 27 GLU HA H 3.952 0.030 1 194 27 27 GLU HB2 H 2.257 0.030 2 195 27 27 GLU HB3 H 2.169 0.030 2 196 27 27 GLU HG2 H 2.625 0.030 2 197 27 27 GLU HG3 H 2.368 0.030 2 198 27 27 GLU C C 178.335 0.300 1 199 27 27 GLU CA C 58.650 0.300 1 200 27 27 GLU CB C 29.772 0.300 1 201 27 27 GLU CG C 36.839 0.300 1 202 27 27 GLU N N 115.144 0.300 1 203 28 28 ARG H H 7.573 0.030 1 204 28 28 ARG HA H 4.109 0.030 1 205 28 28 ARG HB2 H 2.293 0.030 2 206 28 28 ARG HB3 H 1.909 0.030 2 207 28 28 ARG HD2 H 3.128 0.030 2 208 28 28 ARG HD3 H 3.405 0.030 2 209 28 28 ARG HG2 H 1.462 0.030 2 210 28 28 ARG HG3 H 1.718 0.030 2 211 28 28 ARG C C 177.059 0.300 1 212 28 28 ARG CA C 58.740 0.300 1 213 28 28 ARG CB C 30.995 0.300 1 214 28 28 ARG CD C 43.303 0.300 1 215 28 28 ARG CG C 27.933 0.300 1 216 28 28 ARG N N 120.497 0.300 1 217 29 29 THR H H 8.786 0.030 1 218 29 29 THR HA H 4.291 0.030 1 219 29 29 THR HB H 4.173 0.030 1 220 29 29 THR HG2 H 0.933 0.030 1 221 29 29 THR C C 170.391 0.300 1 222 29 29 THR CA C 59.674 0.300 1 223 29 29 THR CB C 68.880 0.300 1 224 29 29 THR CG2 C 18.735 0.300 1 225 29 29 THR N N 114.915 0.300 1 226 30 30 HIS H H 8.292 0.030 1 227 30 30 HIS HA H 4.420 0.030 1 228 30 30 HIS HB2 H 2.645 0.030 2 229 30 30 HIS HB3 H 2.391 0.030 2 230 30 30 HIS HD2 H 5.870 0.030 1 231 30 30 HIS HE1 H 5.654 0.030 1 232 30 30 HIS C C 174.569 0.300 1 233 30 30 HIS CA C 54.798 0.300 1 234 30 30 HIS CB C 30.629 0.300 1 235 30 30 HIS CD2 C 117.619 0.300 1 236 30 30 HIS CE1 C 135.112 0.300 1 237 30 30 HIS N N 122.126 0.300 1 238 31 31 TYR H H 8.179 0.030 1 239 31 31 TYR HA H 4.731 0.030 1 240 31 31 TYR HB2 H 3.010 0.030 2 241 31 31 TYR HB3 H 2.546 0.030 2 242 31 31 TYR HD1 H 7.065 0.030 1 243 31 31 TYR HD2 H 7.065 0.030 1 244 31 31 TYR HE1 H 6.828 0.030 1 245 31 31 TYR HE2 H 6.828 0.030 1 246 31 31 TYR C C 172.551 0.300 1 247 31 31 TYR CA C 55.259 0.300 1 248 31 31 TYR CB C 39.362 0.300 1 249 31 31 TYR CD1 C 133.664 0.300 1 250 31 31 TYR CD2 C 133.664 0.300 1 251 31 31 TYR CE1 C 118.130 0.300 1 252 31 31 TYR CE2 C 118.130 0.300 1 253 31 31 TYR N N 115.063 0.300 1 254 32 32 PRO HA H 4.256 0.030 1 255 32 32 PRO HB2 H 1.832 0.030 2 256 32 32 PRO HB3 H 1.564 0.030 2 257 32 32 PRO HD2 H 2.943 0.030 2 258 32 32 PRO HD3 H 3.055 0.030 2 259 32 32 PRO HG2 H 0.323 0.030 2 260 32 32 PRO HG3 H 1.096 0.030 2 261 32 32 PRO C C 177.388 0.300 1 262 32 32 PRO CA C 62.903 0.300 1 263 32 32 PRO CB C 30.896 0.300 1 264 32 32 PRO CD C 50.576 0.300 1 265 32 32 PRO CG C 26.004 0.300 1 266 33 33 ASP H H 8.457 0.030 1 267 33 33 ASP HA H 4.495 0.030 1 268 33 33 ASP HB2 H 3.280 0.030 2 269 33 33 ASP HB3 H 2.864 0.030 2 270 33 33 ASP C C 175.824 0.300 1 271 33 33 ASP CA C 52.776 0.300 1 272 33 33 ASP CB C 41.174 0.300 1 273 33 33 ASP N N 124.636 0.300 1 274 34 34 VAL H H 8.331 0.030 1 275 34 34 VAL HA H 3.488 0.030 1 276 34 34 VAL HB H 1.881 0.030 1 277 34 34 VAL HG1 H 0.482 0.030 1 278 34 34 VAL HG2 H 0.839 0.030 1 279 34 34 VAL C C 176.133 0.300 1 280 34 34 VAL CA C 66.176 0.300 1 281 34 34 VAL CB C 31.401 0.300 1 282 34 34 VAL CG1 C 19.202 0.300 2 283 34 34 VAL CG2 C 21.762 0.300 2 284 34 34 VAL N N 117.908 0.300 1 285 35 35 PHE H H 7.127 0.030 1 286 35 35 PHE HA H 4.339 0.030 1 287 35 35 PHE HB2 H 3.137 0.030 2 288 35 35 PHE HB3 H 3.242 0.030 2 289 35 35 PHE HD1 H 7.361 0.030 1 290 35 35 PHE HD2 H 7.361 0.030 1 291 35 35 PHE HE1 H 7.391 0.030 1 292 35 35 PHE HE2 H 7.391 0.030 1 293 35 35 PHE HZ H 7.306 0.030 1 294 35 35 PHE C C 178.808 0.300 1 295 35 35 PHE CA C 60.335 0.300 1 296 35 35 PHE CB C 37.927 0.300 1 297 35 35 PHE CD1 C 131.766 0.300 1 298 35 35 PHE CD2 C 131.766 0.300 1 299 35 35 PHE CE1 C 131.680 0.300 1 300 35 35 PHE CE2 C 131.680 0.300 1 301 35 35 PHE CZ C 130.028 0.300 1 302 35 35 PHE N N 120.263 0.300 1 303 36 36 ALA H H 8.428 0.030 1 304 36 36 ALA HA H 4.094 0.030 1 305 36 36 ALA HB H 1.509 0.030 1 306 36 36 ALA C C 181.812 0.300 1 307 36 36 ALA CA C 55.062 0.300 1 308 36 36 ALA CB C 18.484 0.300 1 309 36 36 ALA N N 123.569 0.300 1 310 37 37 ARG H H 8.695 0.030 1 311 37 37 ARG HA H 3.920 0.030 1 312 37 37 ARG HB2 H 2.177 0.030 2 313 37 37 ARG HB3 H 1.668 0.030 2 314 37 37 ARG HD2 H 2.856 0.030 2 315 37 37 ARG HD3 H 3.279 0.030 2 316 37 37 ARG HE H 8.762 0.030 1 317 37 37 ARG HG2 H 2.033 0.030 2 318 37 37 ARG HG3 H 0.839 0.030 2 319 37 37 ARG C C 178.232 0.300 1 320 37 37 ARG CA C 61.034 0.300 1 321 37 37 ARG CB C 31.263 0.300 1 322 37 37 ARG CD C 43.854 0.300 1 323 37 37 ARG CG C 29.273 0.300 1 324 37 37 ARG N N 117.907 0.300 1 325 37 37 ARG NE N 81.194 0.300 1 326 38 38 GLU H H 8.531 0.030 1 327 38 38 GLU HA H 4.051 0.030 1 328 38 38 GLU HB2 H 2.231 0.030 2 329 38 38 GLU HB3 H 2.072 0.030 2 330 38 38 GLU HG2 H 2.558 0.030 2 331 38 38 GLU HG3 H 2.237 0.030 2 332 38 38 GLU C C 179.940 0.300 1 333 38 38 GLU CA C 59.765 0.300 1 334 38 38 GLU CB C 29.456 0.300 1 335 38 38 GLU CG C 36.766 0.300 1 336 38 38 GLU N N 119.688 0.300 1 337 39 39 ARG H H 8.096 0.030 1 338 39 39 ARG HA H 4.130 0.030 1 339 39 39 ARG HB2 H 1.901 0.030 2 340 39 39 ARG HB3 H 1.868 0.030 2 341 39 39 ARG HD2 H 3.227 0.030 2 342 39 39 ARG HG2 H 1.556 0.030 2 343 39 39 ARG HG3 H 1.805 0.030 2 344 39 39 ARG C C 179.425 0.300 1 345 39 39 ARG CA C 59.368 0.300 1 346 39 39 ARG CB C 30.300 0.300 1 347 39 39 ARG CD C 43.447 0.300 1 348 39 39 ARG CG C 27.441 0.300 1 349 39 39 ARG N N 120.527 0.300 1 350 40 40 LEU H H 7.933 0.030 1 351 40 40 LEU HA H 4.121 0.030 1 352 40 40 LEU HB2 H 1.791 0.030 2 353 40 40 LEU HB3 H 1.747 0.030 2 354 40 40 LEU HD1 H 0.954 0.030 1 355 40 40 LEU HD2 H 0.940 0.030 1 356 40 40 LEU HG H 1.627 0.030 1 357 40 40 LEU C C 177.861 0.300 1 358 40 40 LEU CA C 57.807 0.300 1 359 40 40 LEU CB C 42.446 0.300 1 360 40 40 LEU CD1 C 24.248 0.300 2 361 40 40 LEU CD2 C 25.792 0.300 2 362 40 40 LEU CG C 26.985 0.300 1 363 40 40 LEU N N 121.371 0.300 1 364 41 41 ALA H H 8.537 0.030 1 365 41 41 ALA HA H 4.102 0.030 1 366 41 41 ALA HB H 1.638 0.030 1 367 41 41 ALA C C 180.372 0.300 1 368 41 41 ALA CA C 56.060 0.300 1 369 41 41 ALA CB C 18.892 0.300 1 370 41 41 ALA N N 121.892 0.300 1 371 42 42 ALA H H 7.400 0.030 1 372 42 42 ALA HA H 4.242 0.030 1 373 42 42 ALA HB H 1.528 0.030 1 374 42 42 ALA C C 179.631 0.300 1 375 42 42 ALA CA C 53.951 0.300 1 376 42 42 ALA CB C 18.484 0.300 1 377 42 42 ALA N N 116.807 0.300 1 378 43 43 LYS H H 7.781 0.030 1 379 43 43 LYS HA H 4.229 0.030 1 380 43 43 LYS HB2 H 2.028 0.030 2 381 43 43 LYS HB3 H 2.006 0.030 2 382 43 43 LYS HD2 H 1.657 0.030 2 383 43 43 LYS HD3 H 1.748 0.030 2 384 43 43 LYS HE2 H 2.965 0.030 2 385 43 43 LYS HG2 H 1.560 0.030 2 386 43 43 LYS HG3 H 1.450 0.030 2 387 43 43 LYS C C 178.746 0.300 1 388 43 43 LYS CA C 58.710 0.300 1 389 43 43 LYS CB C 33.610 0.300 1 390 43 43 LYS CD C 29.087 0.300 1 391 43 43 LYS CE C 42.136 0.300 1 392 43 43 LYS CG C 24.884 0.300 1 393 43 43 LYS N N 118.433 0.300 1 394 44 44 ILE H H 8.094 0.030 1 395 44 44 ILE HA H 4.655 0.030 1 396 44 44 ILE HB H 2.259 0.030 1 397 44 44 ILE HD1 H 0.636 0.030 1 398 44 44 ILE HG12 H 1.530 0.030 2 399 44 44 ILE HG13 H 1.163 0.030 2 400 44 44 ILE HG2 H 0.806 0.030 1 401 44 44 ILE C C 175.042 0.300 1 402 44 44 ILE CA C 60.606 0.300 1 403 44 44 ILE CB C 38.341 0.300 1 404 44 44 ILE CD1 C 14.687 0.300 1 405 44 44 ILE CG1 C 24.354 0.300 1 406 44 44 ILE CG2 C 17.226 0.300 1 407 44 44 ILE N N 108.112 0.300 1 408 45 45 ASP H H 7.811 0.030 1 409 45 45 ASP HA H 4.333 0.030 1 410 45 45 ASP HB2 H 3.190 0.030 2 411 45 45 ASP HB3 H 2.399 0.030 2 412 45 45 ASP C C 173.848 0.300 1 413 45 45 ASP CA C 55.065 0.300 1 414 45 45 ASP CB C 39.031 0.300 1 415 45 45 ASP N N 121.798 0.300 1 416 46 46 LEU H H 7.550 0.030 1 417 46 46 LEU HA H 4.990 0.030 1 418 46 46 LEU HB2 H 1.356 0.030 2 419 46 46 LEU HB3 H 1.223 0.030 2 420 46 46 LEU HD1 H 0.898 0.030 1 421 46 46 LEU HD2 H 0.695 0.030 1 422 46 46 LEU HG H 1.579 0.030 1 423 46 46 LEU C C 173.536 0.300 1 424 46 46 LEU CA C 51.364 0.300 1 425 46 46 LEU CB C 47.443 0.300 1 426 46 46 LEU CD1 C 25.354 0.300 2 427 46 46 LEU CD2 C 25.680 0.300 2 428 46 46 LEU CG C 26.758 0.300 1 429 46 46 LEU N N 118.454 0.300 1 430 47 47 PRO HA H 4.548 0.030 1 431 47 47 PRO HB2 H 2.574 0.030 2 432 47 47 PRO HB3 H 1.924 0.030 2 433 47 47 PRO HD2 H 3.442 0.030 2 434 47 47 PRO HD3 H 4.001 0.030 2 435 47 47 PRO HG2 H 2.134 0.030 2 436 47 47 PRO HG3 H 2.136 0.030 2 437 47 47 PRO C C 178.417 0.300 1 438 47 47 PRO CA C 62.268 0.300 1 439 47 47 PRO CB C 32.600 0.300 1 440 47 47 PRO CD C 50.803 0.300 1 441 47 47 PRO CG C 27.928 0.300 1 442 48 48 GLU H H 9.253 0.030 1 443 48 48 GLU HA H 3.799 0.030 1 444 48 48 GLU HB2 H 2.043 0.030 2 445 48 48 GLU HB3 H 2.178 0.030 2 446 48 48 GLU HG2 H 2.363 0.030 2 447 48 48 GLU HG3 H 2.198 0.030 2 448 48 48 GLU C C 178.273 0.300 1 449 48 48 GLU CA C 61.083 0.300 1 450 48 48 GLU CB C 28.815 0.300 1 451 48 48 GLU CG C 36.355 0.300 1 452 48 48 GLU N N 126.081 0.300 1 453 49 49 ALA H H 8.923 0.030 1 454 49 49 ALA HA H 4.128 0.030 1 455 49 49 ALA HB H 1.500 0.030 1 456 49 49 ALA C C 181.277 0.300 1 457 49 49 ALA CA C 55.569 0.300 1 458 49 49 ALA CB C 18.681 0.300 1 459 49 49 ALA N N 119.313 0.300 1 460 50 50 ARG H H 7.417 0.030 1 461 50 50 ARG HA H 4.348 0.030 1 462 50 50 ARG HB2 H 2.156 0.030 2 463 50 50 ARG HB3 H 2.084 0.030 2 464 50 50 ARG HD2 H 3.241 0.030 2 465 50 50 ARG HD3 H 3.352 0.030 2 466 50 50 ARG HG2 H 1.961 0.030 2 467 50 50 ARG HG3 H 1.869 0.030 2 468 50 50 ARG C C 179.425 0.300 1 469 50 50 ARG CA C 57.978 0.300 1 470 50 50 ARG CB C 29.723 0.300 1 471 50 50 ARG CD C 42.745 0.300 1 472 50 50 ARG CG C 27.208 0.300 1 473 50 50 ARG N N 114.567 0.300 1 474 51 51 ILE H H 7.785 0.030 1 475 51 51 ILE HA H 3.816 0.030 1 476 51 51 ILE HB H 2.387 0.030 1 477 51 51 ILE HD1 H 0.883 0.030 1 478 51 51 ILE HG12 H 1.045 0.030 2 479 51 51 ILE HG13 H 1.770 0.030 2 480 51 51 ILE HG2 H 1.088 0.030 1 481 51 51 ILE C C 178.088 0.300 1 482 51 51 ILE CA C 65.848 0.300 1 483 51 51 ILE CB C 37.785 0.300 1 484 51 51 ILE CD1 C 13.520 0.300 1 485 51 51 ILE CG1 C 29.590 0.300 1 486 51 51 ILE CG2 C 17.912 0.300 1 487 51 51 ILE N N 121.669 0.300 1 488 52 52 GLN H H 8.478 0.030 1 489 52 52 GLN HA H 4.423 0.030 1 490 52 52 GLN HB2 H 2.277 0.030 2 491 52 52 GLN HE21 H 7.978 0.030 2 492 52 52 GLN HE22 H 6.752 0.030 2 493 52 52 GLN HG2 H 2.553 0.030 2 494 52 52 GLN HG3 H 2.277 0.030 2 495 52 52 GLN C C 179.364 0.300 1 496 52 52 GLN CA C 60.232 0.300 1 497 52 52 GLN CB C 28.945 0.300 1 498 52 52 GLN CG C 33.835 0.300 1 499 52 52 GLN N N 118.943 0.300 1 500 52 52 GLN NE2 N 112.228 0.300 1 501 53 53 VAL H H 7.582 0.030 1 502 53 53 VAL HA H 3.842 0.030 1 503 53 53 VAL HB H 2.300 0.030 1 504 53 53 VAL HG1 H 1.104 0.030 1 505 53 53 VAL HG2 H 1.242 0.030 1 506 53 53 VAL C C 177.800 0.300 1 507 53 53 VAL CA C 66.633 0.300 1 508 53 53 VAL CB C 32.241 0.300 1 509 53 53 VAL CG1 C 21.355 0.300 2 510 53 53 VAL CG2 C 22.938 0.300 2 511 53 53 VAL N N 120.375 0.300 1 512 54 54 TRP H H 8.390 0.030 1 513 54 54 TRP HA H 4.050 0.030 1 514 54 54 TRP HB2 H 3.475 0.030 2 515 54 54 TRP HB3 H 3.236 0.030 2 516 54 54 TRP HD1 H 6.542 0.030 1 517 54 54 TRP HE1 H 9.593 0.030 1 518 54 54 TRP HE3 H 6.530 0.030 1 519 54 54 TRP HH2 H 6.371 0.030 1 520 54 54 TRP HZ2 H 7.167 0.030 1 521 54 54 TRP HZ3 H 5.556 0.030 1 522 54 54 TRP C C 180.084 0.300 1 523 54 54 TRP CA C 63.229 0.300 1 524 54 54 TRP CB C 28.726 0.300 1 525 54 54 TRP CD1 C 127.140 0.300 1 526 54 54 TRP CE3 C 121.276 0.300 1 527 54 54 TRP CH2 C 123.849 0.300 1 528 54 54 TRP CZ2 C 114.147 0.300 1 529 54 54 TRP CZ3 C 121.234 0.300 1 530 54 54 TRP N N 121.414 0.300 1 531 54 54 TRP NE1 N 128.412 0.300 1 532 55 55 PHE H H 9.127 0.030 1 533 55 55 PHE HA H 3.771 0.030 1 534 55 55 PHE HB2 H 3.431 0.030 2 535 55 55 PHE HB3 H 3.251 0.030 2 536 55 55 PHE HD1 H 7.747 0.030 1 537 55 55 PHE HD2 H 7.747 0.030 1 538 55 55 PHE HE1 H 7.600 0.030 1 539 55 55 PHE HE2 H 7.600 0.030 1 540 55 55 PHE HZ H 7.327 0.030 1 541 55 55 PHE C C 178.170 0.300 1 542 55 55 PHE CA C 63.826 0.300 1 543 55 55 PHE CB C 39.195 0.300 1 544 55 55 PHE CD1 C 131.930 0.300 1 545 55 55 PHE CD2 C 131.930 0.300 1 546 55 55 PHE CE1 C 131.905 0.300 1 547 55 55 PHE CE2 C 131.905 0.300 1 548 55 55 PHE CZ C 129.690 0.300 1 549 55 55 PHE N N 118.358 0.300 1 550 56 56 SER H H 8.267 0.030 1 551 56 56 SER HA H 4.148 0.030 1 552 56 56 SER HB2 H 4.172 0.030 2 553 56 56 SER HB3 H 4.103 0.030 2 554 56 56 SER C C 178.376 0.300 1 555 56 56 SER CA C 62.578 0.300 1 556 56 56 SER CB C 62.412 0.300 1 557 56 56 SER N N 115.049 0.300 1 558 57 57 ASN H H 8.231 0.030 1 559 57 57 ASN HA H 4.411 0.030 1 560 57 57 ASN HB2 H 2.702 0.030 2 561 57 57 ASN HB3 H 2.512 0.030 2 562 57 57 ASN HD21 H 7.592 0.030 2 563 57 57 ASN HD22 H 6.991 0.030 2 564 57 57 ASN C C 177.573 0.300 1 565 57 57 ASN CA C 55.698 0.300 1 566 57 57 ASN CB C 37.827 0.300 1 567 57 57 ASN N N 120.846 0.300 1 568 57 57 ASN ND2 N 113.579 0.300 1 569 58 58 ARG H H 8.531 0.030 1 570 58 58 ARG HA H 3.533 0.030 1 571 58 58 ARG HB2 H 0.667 0.030 2 572 58 58 ARG HB3 H -0.554 0.030 2 573 58 58 ARG HD2 H 2.077 0.030 2 574 58 58 ARG HD3 H 2.372 0.030 2 575 58 58 ARG HE H 9.513 0.030 1 576 58 58 ARG HG2 H -0.199 0.030 2 577 58 58 ARG HG3 H -0.668 0.030 2 578 58 58 ARG C C 179.919 0.300 1 579 58 58 ARG CA C 56.451 0.300 1 580 58 58 ARG CB C 27.981 0.300 1 581 58 58 ARG CD C 40.756 0.300 1 582 58 58 ARG CG C 23.734 0.300 1 583 58 58 ARG N N 124.704 0.300 1 584 58 58 ARG NE N 90.012 0.300 1 585 59 59 ARG H H 8.496 0.030 1 586 59 59 ARG HA H 4.072 0.030 1 587 59 59 ARG HB2 H 1.901 0.030 2 588 59 59 ARG HB3 H 2.250 0.030 2 589 59 59 ARG HD2 H 2.728 0.030 2 590 59 59 ARG HD3 H 2.913 0.030 2 591 59 59 ARG HG2 H 1.313 0.030 2 592 59 59 ARG HG3 H 2.299 0.030 2 593 59 59 ARG C C 178.520 0.300 1 594 59 59 ARG CA C 60.970 0.300 1 595 59 59 ARG CB C 31.601 0.300 1 596 59 59 ARG CD C 43.702 0.300 1 597 59 59 ARG CG C 30.906 0.300 1 598 59 59 ARG N N 120.108 0.300 1 599 60 60 ALA H H 7.487 0.030 1 600 60 60 ALA HA H 4.197 0.030 1 601 60 60 ALA HB H 1.573 0.030 1 602 60 60 ALA C C 180.475 0.300 1 603 60 60 ALA CA C 55.547 0.300 1 604 60 60 ALA CB C 17.635 0.300 1 605 60 60 ALA N N 121.949 0.300 1 606 61 61 LYS H H 7.733 0.030 1 607 61 61 LYS HA H 3.927 0.030 1 608 61 61 LYS HB2 H 1.808 0.030 2 609 61 61 LYS HB3 H 1.752 0.030 2 610 61 61 LYS HD2 H 1.549 0.030 2 611 61 61 LYS HD3 H 1.410 0.030 2 612 61 61 LYS HE2 H 2.863 0.030 2 613 61 61 LYS HE3 H 2.863 0.030 2 614 61 61 LYS HG2 H 1.418 0.030 2 615 61 61 LYS HG3 H 1.203 0.030 2 616 61 61 LYS C C 177.656 0.300 1 617 61 61 LYS CA C 59.590 0.300 1 618 61 61 LYS CB C 32.903 0.300 1 619 61 61 LYS CD C 29.898 0.300 1 620 61 61 LYS CE C 42.097 0.300 1 621 61 61 LYS CG C 24.902 0.300 1 622 61 61 LYS N N 120.311 0.300 1 623 62 62 TRP H H 8.235 0.030 1 624 62 62 TRP HA H 4.475 0.030 1 625 62 62 TRP HB2 H 3.687 0.030 2 626 62 62 TRP HB3 H 3.253 0.030 2 627 62 62 TRP HD1 H 7.503 0.030 1 628 62 62 TRP HE1 H 10.398 0.030 1 629 62 62 TRP HE3 H 7.662 0.030 1 630 62 62 TRP HH2 H 7.344 0.030 1 631 62 62 TRP HZ2 H 7.595 0.030 1 632 62 62 TRP HZ3 H 7.289 0.030 1 633 62 62 TRP C C 178.088 0.300 1 634 62 62 TRP CA C 61.043 0.300 1 635 62 62 TRP CB C 29.113 0.300 1 636 62 62 TRP CD1 C 127.393 0.300 1 637 62 62 TRP CE3 C 120.222 0.300 1 638 62 62 TRP CH2 C 124.777 0.300 1 639 62 62 TRP CZ2 C 115.075 0.300 1 640 62 62 TRP CZ3 C 122.204 0.300 1 641 62 62 TRP N N 120.161 0.300 1 642 62 62 TRP NE1 N 130.298 0.300 1 643 63 63 ARG H H 8.579 0.030 1 644 63 63 ARG HA H 3.762 0.030 1 645 63 63 ARG HB2 H 1.937 0.030 2 646 63 63 ARG HB3 H 2.125 0.030 2 647 63 63 ARG HD2 H 3.300 0.030 2 648 63 63 ARG HD3 H 3.444 0.030 2 649 63 63 ARG HG2 H 1.805 0.030 2 650 63 63 ARG HG3 H 2.142 0.030 2 651 63 63 ARG C C 179.220 0.300 1 652 63 63 ARG CA C 59.644 0.300 1 653 63 63 ARG CB C 30.498 0.300 1 654 63 63 ARG CD C 43.717 0.300 1 655 63 63 ARG CG C 28.346 0.300 1 656 63 63 ARG N N 117.951 0.300 1 657 64 64 ARG H H 7.754 0.030 1 658 64 64 ARG HA H 4.075 0.030 1 659 64 64 ARG HB2 H 1.941 0.030 2 660 64 64 ARG HB3 H 1.998 0.030 2 661 64 64 ARG HD2 H 3.231 0.030 2 662 64 64 ARG HD3 H 3.262 0.030 2 663 64 64 ARG HG2 H 1.799 0.030 2 664 64 64 ARG HG3 H 1.603 0.030 2 665 64 64 ARG C C 178.643 0.300 1 666 64 64 ARG CA C 59.313 0.300 1 667 64 64 ARG CB C 30.254 0.300 1 668 64 64 ARG CD C 43.517 0.300 1 669 64 64 ARG CG C 27.579 0.300 1 670 64 64 ARG N N 119.265 0.300 1 671 65 65 GLU H H 8.134 0.030 1 672 65 65 GLU HA H 3.988 0.030 1 673 65 65 GLU HB2 H 1.980 0.030 2 674 65 65 GLU HB3 H 2.055 0.030 2 675 65 65 GLU HG2 H 2.198 0.030 2 676 65 65 GLU HG3 H 2.473 0.030 2 677 65 65 GLU C C 178.890 0.300 1 678 65 65 GLU CA C 58.891 0.300 1 679 65 65 GLU CB C 29.228 0.300 1 680 65 65 GLU CG C 36.948 0.300 1 681 65 65 GLU N N 119.336 0.300 1 682 66 66 GLU H H 8.212 0.030 1 683 66 66 GLU HA H 3.804 0.030 1 684 66 66 GLU HB2 H 1.693 0.030 2 685 66 66 GLU HB3 H 1.471 0.030 2 686 66 66 GLU HG2 H 1.722 0.030 2 687 66 66 GLU HG3 H 1.617 0.030 2 688 66 66 GLU C C 178.273 0.300 1 689 66 66 GLU CA C 58.714 0.300 1 690 66 66 GLU CB C 29.493 0.300 1 691 66 66 GLU CG C 35.655 0.300 1 692 66 66 GLU N N 121.135 0.300 1 693 67 67 LYS H H 7.663 0.030 1 694 67 67 LYS HA H 4.044 0.030 1 695 67 67 LYS HB2 H 1.882 0.030 2 696 67 67 LYS HB3 H 1.845 0.030 2 697 67 67 LYS HD2 H 1.682 0.030 2 698 67 67 LYS HD3 H 1.711 0.030 2 699 67 67 LYS HE2 H 2.991 0.030 2 700 67 67 LYS HG2 H 1.527 0.030 2 701 67 67 LYS HG3 H 1.399 0.030 2 702 67 67 LYS C C 178.787 0.300 1 703 67 67 LYS CA C 58.801 0.300 1 704 67 67 LYS CB C 32.239 0.300 1 705 67 67 LYS CD C 29.243 0.300 1 706 67 67 LYS CE C 42.195 0.300 1 707 67 67 LYS CG C 25.001 0.300 1 708 67 67 LYS N N 119.200 0.300 1 709 68 68 LEU H H 7.631 0.030 1 710 68 68 LEU HA H 4.155 0.030 1 711 68 68 LEU HB2 H 1.772 0.030 2 712 68 68 LEU HB3 H 1.588 0.030 2 713 68 68 LEU HD1 H 0.899 0.030 1 714 68 68 LEU HD2 H 0.866 0.030 1 715 68 68 LEU HG H 1.694 0.030 1 716 68 68 LEU C C 179.055 0.300 1 717 68 68 LEU CA C 56.903 0.300 1 718 68 68 LEU CB C 41.850 0.300 1 719 68 68 LEU CD1 C 24.970 0.300 2 720 68 68 LEU CD2 C 23.239 0.300 2 721 68 68 LEU CG C 27.063 0.300 1 722 68 68 LEU N N 118.976 0.300 1 723 69 69 ARG H H 7.900 0.030 1 724 69 69 ARG HA H 4.089 0.030 1 725 69 69 ARG HB2 H 1.827 0.030 2 726 69 69 ARG HB3 H 1.852 0.030 2 727 69 69 ARG HD2 H 3.209 0.030 2 728 69 69 ARG HD3 H 3.209 0.030 2 729 69 69 ARG HG2 H 1.557 0.030 2 730 69 69 ARG HG3 H 1.557 0.030 2 731 69 69 ARG C C 177.985 0.300 1 732 69 69 ARG CA C 58.551 0.300 1 733 69 69 ARG CB C 30.430 0.300 1 734 69 69 ARG CD C 43.498 0.300 1 735 69 69 ARG CG C 27.608 0.300 1 736 69 69 ARG N N 119.387 0.300 1 737 70 70 ASN H H 8.088 0.030 1 738 70 70 ASN HA H 4.633 0.030 1 739 70 70 ASN HB2 H 2.873 0.030 2 740 70 70 ASN HB3 H 2.806 0.030 2 741 70 70 ASN HD21 H 7.594 0.030 2 742 70 70 ASN HD22 H 6.945 0.030 2 743 70 70 ASN C C 176.194 0.300 1 744 70 70 ASN CA C 54.463 0.300 1 745 70 70 ASN CB C 38.805 0.300 1 746 70 70 ASN N N 117.289 0.300 1 747 70 70 ASN ND2 N 112.966 0.300 1 748 71 71 GLN H H 8.017 0.030 1 749 71 71 GLN HA H 4.263 0.030 1 750 71 71 GLN HB2 H 2.173 0.030 2 751 71 71 GLN HB3 H 2.123 0.030 2 752 71 71 GLN HE21 H 7.512 0.030 2 753 71 71 GLN HE22 H 6.859 0.030 2 754 71 71 GLN HG2 H 2.484 0.030 2 755 71 71 GLN HG3 H 2.414 0.030 2 756 71 71 GLN C C 176.750 0.300 1 757 71 71 GLN CA C 57.031 0.300 1 758 71 71 GLN CB C 29.122 0.300 1 759 71 71 GLN CG C 34.024 0.300 1 760 71 71 GLN N N 119.838 0.300 1 761 71 71 GLN NE2 N 112.356 0.300 1 762 72 72 ARG H H 8.125 0.030 1 763 72 72 ARG HA H 4.312 0.030 1 764 72 72 ARG HB2 H 1.847 0.030 2 765 72 72 ARG HB3 H 1.904 0.030 2 766 72 72 ARG HD2 H 3.216 0.030 2 767 72 72 ARG HG2 H 1.716 0.030 2 768 72 72 ARG HG3 H 1.642 0.030 2 769 72 72 ARG C C 176.729 0.300 1 770 72 72 ARG CA C 56.840 0.300 1 771 72 72 ARG CB C 30.500 0.300 1 772 72 72 ARG CD C 43.487 0.300 1 773 72 72 ARG CG C 27.337 0.300 1 774 72 72 ARG N N 120.534 0.300 1 775 73 73 ARG H H 8.148 0.030 1 776 73 73 ARG HA H 4.412 0.030 1 777 73 73 ARG HB2 H 1.808 0.030 2 778 73 73 ARG HB3 H 1.924 0.030 2 779 73 73 ARG HD2 H 3.231 0.030 2 780 73 73 ARG HG2 H 1.640 0.030 2 781 73 73 ARG HG3 H 1.676 0.030 2 782 73 73 ARG C C 176.552 0.300 1 783 73 73 ARG CA C 56.445 0.300 1 784 73 73 ARG CB C 30.676 0.300 1 785 73 73 ARG CD C 43.433 0.300 1 786 73 73 ARG CG C 27.165 0.300 1 787 73 73 ARG N N 121.356 0.300 1 788 74 74 GLN HA H 4.334 0.030 1 789 74 74 GLN HB2 H 2.002 0.030 2 790 74 74 GLN HB3 H 2.134 0.030 2 791 74 74 GLN HG2 H 2.379 0.030 2 792 74 74 GLN CA C 56.127 0.300 1 793 74 74 GLN CB C 29.362 0.300 1 794 74 74 GLN CG C 33.801 0.300 1 795 76 76 GLY HA2 H 4.168 0.030 2 796 76 76 GLY HA3 H 4.168 0.030 2 797 76 76 GLY CA C 44.736 0.300 1 798 77 77 PRO HA H 4.502 0.030 1 799 77 77 PRO HB2 H 2.320 0.030 2 800 77 77 PRO HB3 H 2.000 0.030 2 801 77 77 PRO HD2 H 3.671 0.030 2 802 77 77 PRO HD3 H 3.646 0.030 2 803 77 77 PRO HG2 H 2.045 0.030 2 804 77 77 PRO HG3 H 2.045 0.030 2 805 77 77 PRO CA C 63.330 0.300 1 806 77 77 PRO CB C 32.217 0.300 1 807 77 77 PRO CD C 49.823 0.300 1 808 77 77 PRO CG C 27.165 0.300 1 809 79 79 SER HA H 4.524 0.030 1 810 79 79 SER HB2 H 3.901 0.030 2 811 79 79 SER C C 173.931 0.300 1 812 79 79 SER CA C 58.409 0.300 1 813 79 79 SER CB C 64.147 0.300 1 814 80 80 GLY H H 8.060 0.030 1 815 80 80 GLY C C 179.077 0.300 1 816 80 80 GLY CA C 46.336 0.300 1 817 80 80 GLY N N 116.856 0.300 1 stop_ save_