data_10047 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Homeobox Domain of Human Homeodomain Leucine Zipper-Encoding Gene (Homez) ; _BMRB_accession_number 10047 _BMRB_flat_file_name bmr10047.str _Entry_type original _Submission_date 2006-11-09 _Accession_date 2006-11-09 _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 Kamatari Y. . . 2 Tochio N. . . 3 Nameki N. . . 4 Miyamoto K. . . 5 Li H. . . 6 Kobayashi N. . . 7 Koshiba S. . . 8 Inoue M. . . 9 Kigawa T. . . 10 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" 455 "13C chemical shifts" 330 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Homeobox Domain of Human Homeodomain Leucine Zipper-Encoding Gene (Homez) ; _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 Kamatari Y. . . 2 Tochio N. . . 3 Nameki N. . . 4 Miyamoto K. . . 5 Li H. . . 6 Kobayashi N. . . 7 Koshiba S. . . 8 Inoue M. . . 9 Kigawa T. . . 10 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 'Homeobox leucine zipper protein Homez' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Homeobox leucine zipper protein Homez' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _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 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; GSSGSSGKRKTKEQLAILKS FFLQCQWARREDYQKLEQIT GLPRPEIIQWFGDTRYALKH GQLKWFRDNASGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LYS 9 ARG 10 LYS 11 THR 12 LYS 13 GLU 14 GLN 15 LEU 16 ALA 17 ILE 18 LEU 19 LYS 20 SER 21 PHE 22 PHE 23 LEU 24 GLN 25 CYS 26 GLN 27 TRP 28 ALA 29 ARG 30 ARG 31 GLU 32 ASP 33 TYR 34 GLN 35 LYS 36 LEU 37 GLU 38 GLN 39 ILE 40 THR 41 GLY 42 LEU 43 PRO 44 ARG 45 PRO 46 GLU 47 ILE 48 ILE 49 GLN 50 TRP 51 PHE 52 GLY 53 ASP 54 THR 55 ARG 56 TYR 57 ALA 58 LEU 59 LYS 60 HIS 61 GLY 62 GLN 63 LEU 64 LYS 65 TRP 66 PHE 67 ARG 68 ASP 69 ASN 70 ALA 71 SER 72 GLY 73 PRO 74 SER 75 SER 76 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2ECC "Solution Structure Of The Second Homeobox Domain Of Human Homeodomain Leucine Zipper-Encoding Gene (Homez)" 100.00 76 100.00 100.00 2.79e-47 DBJ BAA92681 "KIAA1443 protein [Homo sapiens]" 82.89 573 100.00 100.00 1.17e-36 DBJ BAC98171 "mKIAA1443 protein [Mus musculus]" 82.89 564 98.41 98.41 1.49e-35 DBJ BAG10069 "homeobox and leucine zipper protein Homez [synthetic construct]" 82.89 549 100.00 100.00 1.65e-36 DBJ BAG59479 "unnamed protein product [Homo sapiens]" 82.89 548 100.00 100.00 1.55e-36 DBJ BAG63292 "unnamed protein product [Homo sapiens]" 82.89 545 100.00 100.00 1.51e-36 GB AAH84701 "Homeobox and leucine zipper encoding [Rattus norvegicus]" 82.89 534 98.41 98.41 1.10e-35 GB AAH85694 "Homeobox and leucine zipper encoding [Rattus norvegicus]" 82.89 534 98.41 98.41 1.10e-35 GB AAH94669 "Homeodomain leucine zipper-encoding gene [Mus musculus]" 82.89 518 98.41 98.41 9.89e-36 GB AAI30393 "Homeobox and leucine zipper encoding [Homo sapiens]" 82.89 525 100.00 100.00 1.25e-36 GB AAM94347 "homeodomain-leucine zipper protein HOMEZ [Rattus norvegicus]" 82.89 513 98.41 98.41 8.80e-36 REF NP_001171176 "homeobox and leucine zipper protein Homez [Mus musculus]" 82.89 518 98.41 98.41 9.89e-36 REF NP_065885 "homeobox and leucine zipper protein Homez [Homo sapiens]" 82.89 550 100.00 100.00 1.61e-36 REF NP_690062 "homeobox and leucine zipper protein Homez [Rattus norvegicus]" 82.89 553 98.41 98.41 1.03e-35 REF NP_898997 "homeobox and leucine zipper protein Homez [Mus musculus]" 82.89 518 98.41 98.41 9.89e-36 REF XP_001102279 "PREDICTED: homeobox and leucine zipper protein Homez-like isoform 1 [Macaca mulatta]" 82.89 549 100.00 100.00 1.56e-36 SP Q80W88 "RecName: Full=Homeobox and leucine zipper protein Homez; AltName: Full=Homeodomain leucine zipper-containing factor" 82.89 542 98.41 98.41 1.16e-35 SP Q8IX15 "RecName: Full=Homeobox and leucine zipper protein Homez; AltName: Full=Homeodomain leucine zipper-containing factor" 82.89 550 100.00 100.00 1.61e-36 SP Q8K3E9 "RecName: Full=Homeobox and leucine zipper protein Homez; AltName: Full=Homeodomain leucine zipper-containing factor" 82.89 513 98.41 98.41 8.80e-36 TPG DAA25845 "TPA: homeobox and leucine zipper encoding [Bos taurus]" 82.89 539 98.41 98.41 8.61e-36 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 P040126-87 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 1.14 mM '[U-13C; U-15N]' d-Tris-HCl 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 0.8998 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 refinement '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_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_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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_ _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 leucine zipper protein Homez' _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 7 7 GLY HA2 H 3.986 0.030 1 2 7 7 GLY HA3 H 3.986 0.030 1 3 7 7 GLY C C 174.026 0.300 1 4 7 7 GLY CA C 45.368 0.300 1 5 8 8 LYS H H 8.246 0.030 1 6 8 8 LYS HA H 4.347 0.030 1 7 8 8 LYS HB2 H 1.760 0.030 2 8 8 8 LYS HB3 H 1.847 0.030 2 9 8 8 LYS HG2 H 1.454 0.030 1 10 8 8 LYS HG3 H 1.454 0.030 1 11 8 8 LYS HD2 H 1.707 0.030 1 12 8 8 LYS HD3 H 1.707 0.030 1 13 8 8 LYS HE2 H 3.023 0.030 1 14 8 8 LYS HE3 H 3.023 0.030 1 15 8 8 LYS C C 176.738 0.300 1 16 8 8 LYS CA C 56.209 0.300 1 17 8 8 LYS CB C 33.044 0.300 1 18 8 8 LYS CG C 24.884 0.300 1 19 8 8 LYS CD C 29.206 0.300 1 20 8 8 LYS CE C 42.314 0.300 1 21 8 8 LYS N N 121.136 0.300 1 22 9 9 ARG H H 8.397 0.030 1 23 9 9 ARG HA H 4.390 0.030 1 24 9 9 ARG HB2 H 1.794 0.030 2 25 9 9 ARG HB3 H 1.869 0.030 2 26 9 9 ARG HG2 H 1.679 0.030 1 27 9 9 ARG HG3 H 1.679 0.030 1 28 9 9 ARG HD2 H 3.212 0.030 1 29 9 9 ARG HD3 H 3.212 0.030 1 30 9 9 ARG C C 176.608 0.300 1 31 9 9 ARG CA C 56.176 0.300 1 32 9 9 ARG CB C 30.999 0.300 1 33 9 9 ARG CG C 27.115 0.300 1 34 9 9 ARG CD C 43.569 0.300 1 35 9 9 ARG N N 123.255 0.300 1 36 10 10 LYS H H 8.459 0.030 1 37 10 10 LYS HA H 4.632 0.030 1 38 10 10 LYS HB2 H 1.747 0.030 2 39 10 10 LYS HB3 H 1.652 0.030 2 40 10 10 LYS HG2 H 1.353 0.030 2 41 10 10 LYS HG3 H 1.634 0.030 2 42 10 10 LYS HD2 H 1.595 0.030 2 43 10 10 LYS HD3 H 1.335 0.030 2 44 10 10 LYS HE2 H 2.719 0.030 2 45 10 10 LYS HE3 H 2.945 0.030 2 46 10 10 LYS C C 176.914 0.300 1 47 10 10 LYS CA C 56.036 0.300 1 48 10 10 LYS CB C 34.184 0.300 1 49 10 10 LYS CG C 25.232 0.300 1 50 10 10 LYS CD C 29.555 0.300 1 51 10 10 LYS CE C 41.338 0.300 1 52 10 10 LYS N N 123.600 0.300 1 53 11 11 THR H H 8.874 0.030 1 54 11 11 THR HA H 4.423 0.030 1 55 11 11 THR HB H 4.759 0.030 1 56 11 11 THR HG2 H 1.303 0.030 1 57 11 11 THR C C 175.438 0.300 1 58 11 11 THR CA C 60.705 0.300 1 59 11 11 THR CB C 71.138 0.300 1 60 11 11 THR CG2 C 21.886 0.300 1 61 11 11 THR N N 113.530 0.300 1 62 12 12 LYS H H 8.935 0.030 1 63 12 12 LYS HA H 3.954 0.030 1 64 12 12 LYS HB2 H 1.919 0.030 2 65 12 12 LYS HB3 H 1.806 0.030 2 66 12 12 LYS HG2 H 1.509 0.030 2 67 12 12 LYS HG3 H 1.450 0.030 2 68 12 12 LYS HD2 H 1.709 0.030 1 69 12 12 LYS HD3 H 1.709 0.030 1 70 12 12 LYS HE2 H 3.015 0.030 1 71 12 12 LYS HE3 H 3.015 0.030 1 72 12 12 LYS C C 179.330 0.300 1 73 12 12 LYS CA C 59.852 0.300 1 74 12 12 LYS CB C 32.080 0.300 1 75 12 12 LYS CG C 24.884 0.300 1 76 12 12 LYS CD C 29.485 0.300 1 77 12 12 LYS CE C 42.105 0.300 1 78 12 12 LYS N N 120.786 0.300 1 79 13 13 GLU H H 8.741 0.030 1 80 13 13 GLU HA H 4.037 0.030 1 81 13 13 GLU HB2 H 2.099 0.030 2 82 13 13 GLU HB3 H 1.926 0.030 2 83 13 13 GLU HG2 H 2.480 0.030 2 84 13 13 GLU HG3 H 2.247 0.030 2 85 13 13 GLU C C 179.392 0.300 1 86 13 13 GLU CA C 60.440 0.300 1 87 13 13 GLU CB C 28.977 0.300 1 88 13 13 GLU CG C 37.364 0.300 1 89 13 13 GLU N N 119.595 0.300 1 90 14 14 GLN H H 7.758 0.030 1 91 14 14 GLN HA H 3.765 0.030 1 92 14 14 GLN HB2 H 2.479 0.030 2 93 14 14 GLN HB3 H 1.446 0.030 2 94 14 14 GLN HG2 H 2.433 0.030 2 95 14 14 GLN HG3 H 2.676 0.030 2 96 14 14 GLN HE21 H 7.626 0.030 2 97 14 14 GLN HE22 H 6.794 0.030 2 98 14 14 GLN C C 178.230 0.300 1 99 14 14 GLN CA C 59.352 0.300 1 100 14 14 GLN CB C 28.494 0.300 1 101 14 14 GLN CG C 34.784 0.300 1 102 14 14 GLN N N 118.924 0.300 1 103 14 14 GLN NE2 N 110.422 0.300 1 104 15 15 LEU H H 8.289 0.030 1 105 15 15 LEU HA H 3.586 0.030 1 106 15 15 LEU HB2 H 1.674 0.030 2 107 15 15 LEU HB3 H 1.313 0.030 2 108 15 15 LEU HG H 1.474 0.030 1 109 15 15 LEU HD1 H 0.855 0.030 1 110 15 15 LEU HD2 H 0.830 0.030 1 111 15 15 LEU C C 178.091 0.300 1 112 15 15 LEU CA C 57.571 0.300 1 113 15 15 LEU CB C 41.973 0.300 1 114 15 15 LEU CG C 27.092 0.300 1 115 15 15 LEU CD1 C 25.023 0.300 2 116 15 15 LEU CD2 C 23.628 0.300 2 117 15 15 LEU N N 117.175 0.300 1 118 16 16 ALA H H 7.975 0.030 1 119 16 16 ALA HA H 3.900 0.030 1 120 16 16 ALA HB H 1.449 0.030 1 121 16 16 ALA C C 180.935 0.300 1 122 16 16 ALA CA C 55.247 0.300 1 123 16 16 ALA CB C 18.015 0.300 1 124 16 16 ALA N N 120.639 0.300 1 125 17 17 ILE H H 7.308 0.030 1 126 17 17 ILE HA H 3.736 0.030 1 127 17 17 ILE HB H 1.828 0.030 1 128 17 17 ILE HG12 H 1.701 0.030 2 129 17 17 ILE HG13 H 1.234 0.030 2 130 17 17 ILE HG2 H 0.804 0.030 1 131 17 17 ILE HD1 H 0.802 0.030 1 132 17 17 ILE C C 178.617 0.300 1 133 17 17 ILE CA C 64.046 0.300 1 134 17 17 ILE CB C 37.891 0.300 1 135 17 17 ILE CG1 C 28.718 0.300 1 136 17 17 ILE CG2 C 17.633 0.300 1 137 17 17 ILE CD1 C 12.961 0.300 1 138 17 17 ILE N N 119.172 0.300 1 139 18 18 LEU H H 7.534 0.030 1 140 18 18 LEU HA H 3.622 0.030 1 141 18 18 LEU HB2 H -0.529 0.030 2 142 18 18 LEU HB3 H 0.719 0.030 2 143 18 18 LEU HG H 1.368 0.030 1 144 18 18 LEU HD1 H -0.297 0.030 1 145 18 18 LEU HD2 H 0.550 0.030 1 146 18 18 LEU C C 178.036 0.300 1 147 18 18 LEU CA C 58.491 0.300 1 148 18 18 LEU CB C 38.492 0.300 1 149 18 18 LEU CG C 25.818 0.300 1 150 18 18 LEU CD1 C 23.768 0.300 2 151 18 18 LEU CD2 C 22.931 0.300 2 152 18 18 LEU N N 120.984 0.300 1 153 19 19 LYS H H 8.426 0.030 1 154 19 19 LYS HA H 3.881 0.030 1 155 19 19 LYS HB2 H 1.462 0.030 2 156 19 19 LYS HB3 H 1.236 0.030 2 157 19 19 LYS HG2 H 0.948 0.030 2 158 19 19 LYS HG3 H 0.022 0.030 2 159 19 19 LYS HD2 H 0.882 0.030 2 160 19 19 LYS HD3 H 0.738 0.030 2 161 19 19 LYS HE2 H 1.877 0.030 2 162 19 19 LYS HE3 H 1.844 0.030 2 163 19 19 LYS C C 178.154 0.300 1 164 19 19 LYS CA C 60.587 0.300 1 165 19 19 LYS CB C 32.941 0.300 1 166 19 19 LYS CG C 25.023 0.300 1 167 19 19 LYS CD C 29.694 0.300 1 168 19 19 LYS CE C 41.338 0.300 1 169 19 19 LYS N N 117.578 0.300 1 170 20 20 SER H H 7.719 0.030 1 171 20 20 SER HA H 4.199 0.030 1 172 20 20 SER HB2 H 4.030 0.030 1 173 20 20 SER HB3 H 4.030 0.030 1 174 20 20 SER C C 177.400 0.300 1 175 20 20 SER CA C 62.030 0.300 1 176 20 20 SER CB C 62.796 0.300 1 177 20 20 SER N N 111.820 0.300 1 178 21 21 PHE H H 8.130 0.030 1 179 21 21 PHE HA H 4.241 0.030 1 180 21 21 PHE HB2 H 3.570 0.030 2 181 21 21 PHE HB3 H 3.299 0.030 2 182 21 21 PHE HD1 H 7.539 0.030 1 183 21 21 PHE HD2 H 7.539 0.030 1 184 21 21 PHE HE1 H 7.317 0.030 1 185 21 21 PHE HE2 H 7.317 0.030 1 186 21 21 PHE HZ H 7.280 0.030 1 187 21 21 PHE C C 177.949 0.300 1 188 21 21 PHE CA C 61.946 0.300 1 189 21 21 PHE CB C 39.526 0.300 1 190 21 21 PHE CD1 C 132.765 0.300 1 191 21 21 PHE CD2 C 132.765 0.300 1 192 21 21 PHE CE1 C 131.304 0.300 1 193 21 21 PHE CE2 C 131.304 0.300 1 194 21 21 PHE CZ C 129.512 0.300 1 195 21 21 PHE N N 121.877 0.300 1 196 22 22 PHE H H 9.176 0.030 1 197 22 22 PHE HA H 4.815 0.030 1 198 22 22 PHE HB2 H 3.712 0.030 2 199 22 22 PHE HB3 H 3.644 0.030 2 200 22 22 PHE HD1 H 7.338 0.030 1 201 22 22 PHE HD2 H 7.338 0.030 1 202 22 22 PHE HE1 H 7.039 0.030 1 203 22 22 PHE HE2 H 7.039 0.030 1 204 22 22 PHE HZ H 6.624 0.030 1 205 22 22 PHE C C 176.424 0.300 1 206 22 22 PHE CA C 60.985 0.300 1 207 22 22 PHE CB C 40.733 0.300 1 208 22 22 PHE CD1 C 132.851 0.300 1 209 22 22 PHE CD2 C 132.851 0.300 1 210 22 22 PHE CE1 C 131.182 0.300 1 211 22 22 PHE CE2 C 131.182 0.300 1 212 22 22 PHE CZ C 128.936 0.300 1 213 22 22 PHE N N 122.548 0.300 1 214 23 23 LEU H H 8.391 0.030 1 215 23 23 LEU HA H 4.140 0.030 1 216 23 23 LEU HB2 H 2.026 0.030 2 217 23 23 LEU HB3 H 1.556 0.030 2 218 23 23 LEU HG H 2.294 0.030 1 219 23 23 LEU HD1 H 1.046 0.030 1 220 23 23 LEU HD2 H 1.058 0.030 1 221 23 23 LEU C C 178.310 0.300 1 222 23 23 LEU CA C 57.806 0.300 1 223 23 23 LEU CB C 42.491 0.300 1 224 23 23 LEU CG C 27.516 0.300 1 225 23 23 LEU CD1 C 25.860 0.300 2 226 23 23 LEU CD2 C 23.915 0.300 2 227 23 23 LEU N N 114.934 0.300 1 228 24 24 GLN H H 7.395 0.030 1 229 24 24 GLN HA H 4.346 0.030 1 230 24 24 GLN HB2 H 2.077 0.030 1 231 24 24 GLN HB3 H 2.077 0.030 1 232 24 24 GLN HG2 H 2.309 0.030 2 233 24 24 GLN HG3 H 2.420 0.030 2 234 24 24 GLN HE21 H 6.650 0.030 2 235 24 24 GLN HE22 H 7.288 0.030 2 236 24 24 GLN C C 176.489 0.300 1 237 24 24 GLN CA C 56.555 0.300 1 238 24 24 GLN CB C 29.770 0.300 1 239 24 24 GLN CG C 33.738 0.300 1 240 24 24 GLN N N 115.187 0.300 1 241 24 24 GLN NE2 N 111.993 0.300 1 242 25 25 CYS H H 8.399 0.030 1 243 25 25 CYS HA H 4.312 0.030 1 244 25 25 CYS HB2 H 2.722 0.030 2 245 25 25 CYS HB3 H 2.412 0.030 2 246 25 25 CYS C C 172.107 0.300 1 247 25 25 CYS CA C 59.352 0.300 1 248 25 25 CYS CB C 27.814 0.300 1 249 25 25 CYS N N 122.118 0.300 1 250 26 26 GLN H H 8.238 0.030 1 251 26 26 GLN HA H 3.893 0.030 1 252 26 26 GLN HB2 H 1.556 0.030 1 253 26 26 GLN HB3 H 1.556 0.030 1 254 26 26 GLN HG2 H 1.395 0.030 2 255 26 26 GLN HG3 H 1.268 0.030 2 256 26 26 GLN HE21 H 7.770 0.030 2 257 26 26 GLN HE22 H 6.750 0.030 2 258 26 26 GLN C C 174.297 0.300 1 259 26 26 GLN CA C 57.879 0.300 1 260 26 26 GLN CB C 28.132 0.300 1 261 26 26 GLN CG C 35.202 0.300 1 262 26 26 GLN N N 123.411 0.300 1 263 26 26 GLN NE2 N 112.854 0.300 1 264 27 27 TRP H H 7.671 0.030 1 265 27 27 TRP HA H 4.614 0.030 1 266 27 27 TRP HB2 H 3.221 0.030 2 267 27 27 TRP HB3 H 2.965 0.030 2 268 27 27 TRP HD1 H 7.222 0.030 1 269 27 27 TRP HE1 H 10.133 0.030 1 270 27 27 TRP HE3 H 7.691 0.030 1 271 27 27 TRP HZ2 H 7.516 0.030 1 272 27 27 TRP HZ3 H 7.192 0.030 1 273 27 27 TRP HH2 H 7.256 0.030 1 274 27 27 TRP C C 174.268 0.300 1 275 27 27 TRP CA C 55.811 0.300 1 276 27 27 TRP CB C 29.801 0.300 1 277 27 27 TRP CD1 C 127.303 0.300 1 278 27 27 TRP CE3 C 120.697 0.300 1 279 27 27 TRP CZ2 C 114.469 0.300 1 280 27 27 TRP CZ3 C 122.094 0.300 1 281 27 27 TRP CH2 C 124.713 0.300 1 282 27 27 TRP N N 119.557 0.300 1 283 27 27 TRP NE1 N 128.905 0.300 1 284 28 28 ALA H H 7.221 0.030 1 285 28 28 ALA HA H 4.163 0.030 1 286 28 28 ALA HB H 0.159 0.030 1 287 28 28 ALA C C 176.896 0.300 1 288 28 28 ALA CA C 51.748 0.300 1 289 28 28 ALA CB C 18.364 0.300 1 290 28 28 ALA N N 125.290 0.300 1 291 29 29 ARG H H 9.407 0.030 1 292 29 29 ARG HA H 4.505 0.030 1 293 29 29 ARG HB2 H 2.225 0.030 2 294 29 29 ARG HB3 H 1.697 0.030 2 295 29 29 ARG HG2 H 1.823 0.030 1 296 29 29 ARG HG3 H 1.823 0.030 1 297 29 29 ARG HD2 H 3.333 0.030 2 298 29 29 ARG HD3 H 3.268 0.030 2 299 29 29 ARG C C 177.583 0.300 1 300 29 29 ARG CA C 54.589 0.300 1 301 29 29 ARG CB C 32.251 0.300 1 302 29 29 ARG CG C 27.108 0.300 1 303 29 29 ARG CD C 43.429 0.300 1 304 29 29 ARG N N 122.123 0.300 1 305 30 30 ARG HA H 3.955 0.030 1 306 30 30 ARG HB2 H 2.032 0.030 2 307 30 30 ARG HB3 H 1.872 0.030 2 308 30 30 ARG HG2 H 1.782 0.030 2 309 30 30 ARG HG3 H 1.633 0.030 2 310 30 30 ARG HD2 H 3.299 0.030 1 311 30 30 ARG HD3 H 3.299 0.030 1 312 30 30 ARG C C 178.833 0.300 1 313 30 30 ARG CA C 60.902 0.300 1 314 30 30 ARG CB C 29.838 0.300 1 315 30 30 ARG CG C 26.975 0.300 1 316 30 30 ARG CD C 43.499 0.300 1 317 31 31 GLU H H 9.765 0.030 1 318 31 31 GLU HA H 4.139 0.030 1 319 31 31 GLU HB2 H 2.024 0.030 1 320 31 31 GLU HB3 H 2.024 0.030 1 321 31 31 GLU HG2 H 2.412 0.030 2 322 31 31 GLU HG3 H 2.312 0.030 2 323 31 31 GLU C C 179.056 0.300 1 324 31 31 GLU CA C 59.690 0.300 1 325 31 31 GLU CB C 29.011 0.300 1 326 31 31 GLU CG C 36.806 0.300 1 327 31 31 GLU N N 116.869 0.300 1 328 32 32 ASP H H 7.327 0.030 1 329 32 32 ASP HA H 4.596 0.030 1 330 32 32 ASP HB2 H 2.736 0.030 2 331 32 32 ASP HB3 H 2.468 0.030 2 332 32 32 ASP C C 178.181 0.300 1 333 32 32 ASP CA C 56.643 0.300 1 334 32 32 ASP CB C 41.491 0.300 1 335 32 32 ASP N N 119.226 0.300 1 336 33 33 TYR H H 7.858 0.030 1 337 33 33 TYR HA H 4.207 0.030 1 338 33 33 TYR HB2 H 3.082 0.030 2 339 33 33 TYR HB3 H 2.924 0.030 2 340 33 33 TYR HD1 H 6.804 0.030 1 341 33 33 TYR HD2 H 6.804 0.030 1 342 33 33 TYR HE1 H 6.454 0.030 1 343 33 33 TYR HE2 H 6.454 0.030 1 344 33 33 TYR C C 178.001 0.300 1 345 33 33 TYR CA C 60.955 0.300 1 346 33 33 TYR CB C 36.975 0.300 1 347 33 33 TYR CD1 C 131.174 0.300 1 348 33 33 TYR CD2 C 131.174 0.300 1 349 33 33 TYR CE1 C 119.067 0.300 1 350 33 33 TYR CE2 C 119.067 0.300 1 351 33 33 TYR N N 118.097 0.300 1 352 34 34 GLN H H 8.045 0.030 1 353 34 34 GLN HA H 4.131 0.030 1 354 34 34 GLN HB2 H 2.194 0.030 1 355 34 34 GLN HB3 H 2.194 0.030 1 356 34 34 GLN HG2 H 2.395 0.030 2 357 34 34 GLN HG3 H 2.509 0.030 2 358 34 34 GLN HE21 H 7.488 0.030 2 359 34 34 GLN HE22 H 6.886 0.030 2 360 34 34 GLN C C 178.315 0.300 1 361 34 34 GLN CA C 59.455 0.300 1 362 34 34 GLN CB C 28.519 0.300 1 363 34 34 GLN CG C 34.057 0.300 1 364 34 34 GLN N N 117.661 0.300 1 365 34 34 GLN NE2 N 111.650 0.300 1 366 35 35 LYS H H 7.609 0.030 1 367 35 35 LYS HA H 4.190 0.030 1 368 35 35 LYS HB2 H 2.055 0.030 1 369 35 35 LYS HB3 H 2.055 0.030 1 370 35 35 LYS HG2 H 1.630 0.030 2 371 35 35 LYS HG3 H 1.546 0.030 2 372 35 35 LYS HD2 H 1.849 0.030 1 373 35 35 LYS HD3 H 1.849 0.030 1 374 35 35 LYS HE2 H 3.050 0.030 1 375 35 35 LYS HE3 H 3.050 0.030 1 376 35 35 LYS C C 178.884 0.300 1 377 35 35 LYS CA C 59.292 0.300 1 378 35 35 LYS CB C 32.114 0.300 1 379 35 35 LYS CG C 24.953 0.300 1 380 35 35 LYS CD C 29.137 0.300 1 381 35 35 LYS CE C 42.035 0.300 1 382 35 35 LYS N N 120.268 0.300 1 383 36 36 LEU H H 8.650 0.030 1 384 36 36 LEU HA H 4.019 0.030 1 385 36 36 LEU HB2 H 1.137 0.030 2 386 36 36 LEU HB3 H 2.011 0.030 2 387 36 36 LEU HG H 1.441 0.030 1 388 36 36 LEU HD1 H 0.370 0.030 1 389 36 36 LEU HD2 H 0.551 0.030 1 390 36 36 LEU C C 180.950 0.300 1 391 36 36 LEU CA C 57.976 0.300 1 392 36 36 LEU CB C 43.015 0.300 1 393 36 36 LEU CG C 26.992 0.300 1 394 36 36 LEU CD1 C 25.173 0.300 2 395 36 36 LEU CD2 C 22.583 0.300 2 396 36 36 LEU N N 117.790 0.300 1 397 37 37 GLU H H 8.865 0.030 1 398 37 37 GLU HA H 4.124 0.030 1 399 37 37 GLU HB2 H 2.231 0.030 2 400 37 37 GLU HB3 H 2.181 0.030 2 401 37 37 GLU HG2 H 2.236 0.030 2 402 37 37 GLU HG3 H 2.588 0.030 2 403 37 37 GLU C C 178.691 0.300 1 404 37 37 GLU CA C 60.110 0.300 1 405 37 37 GLU CB C 30.163 0.300 1 406 37 37 GLU CG C 36.092 0.300 1 407 37 37 GLU N N 125.632 0.300 1 408 38 38 GLN H H 7.591 0.030 1 409 38 38 GLN HA H 4.074 0.030 1 410 38 38 GLN HB2 H 2.352 0.030 2 411 38 38 GLN HB3 H 2.289 0.030 2 412 38 38 GLN HG2 H 2.608 0.030 2 413 38 38 GLN HG3 H 2.439 0.030 2 414 38 38 GLN HE21 H 6.843 0.030 2 415 38 38 GLN HE22 H 7.522 0.030 2 416 38 38 GLN C C 178.718 0.300 1 417 38 38 GLN CA C 59.071 0.300 1 418 38 38 GLN CB C 28.460 0.300 1 419 38 38 GLN CG C 33.883 0.300 1 420 38 38 GLN N N 119.305 0.300 1 421 38 38 GLN NE2 N 111.657 0.300 1 422 39 39 ILE H H 8.198 0.030 1 423 39 39 ILE HA H 4.209 0.030 1 424 39 39 ILE HB H 1.919 0.030 1 425 39 39 ILE HG12 H 1.459 0.030 2 426 39 39 ILE HG13 H 1.663 0.030 2 427 39 39 ILE HG2 H 1.069 0.030 1 428 39 39 ILE HD1 H 0.921 0.030 1 429 39 39 ILE C C 177.745 0.300 1 430 39 39 ILE CA C 63.977 0.300 1 431 39 39 ILE CB C 39.184 0.300 1 432 39 39 ILE CG1 C 27.672 0.300 1 433 39 39 ILE CG2 C 17.951 0.300 1 434 39 39 ILE CD1 C 13.937 0.300 1 435 39 39 ILE N N 113.414 0.300 1 436 40 40 THR H H 8.142 0.030 1 437 40 40 THR HA H 4.452 0.030 1 438 40 40 THR HB H 4.001 0.030 1 439 40 40 THR HG2 H 1.294 0.030 1 440 40 40 THR C C 176.201 0.300 1 441 40 40 THR CA C 63.469 0.300 1 442 40 40 THR CB C 71.967 0.300 1 443 40 40 THR CG2 C 21.746 0.300 1 444 40 40 THR N N 107.061 0.300 1 445 41 41 GLY H H 7.989 0.030 1 446 41 41 GLY HA2 H 4.214 0.030 2 447 41 41 GLY HA3 H 3.889 0.030 2 448 41 41 GLY C C 174.477 0.300 1 449 41 41 GLY CA C 45.929 0.300 1 450 41 41 GLY N N 111.024 0.300 1 451 42 42 LEU H H 7.951 0.030 1 452 42 42 LEU HA H 4.594 0.030 1 453 42 42 LEU HB2 H 1.672 0.030 2 454 42 42 LEU HB3 H 1.065 0.030 2 455 42 42 LEU HG H 1.423 0.030 1 456 42 42 LEU HD1 H 0.613 0.030 1 457 42 42 LEU HD2 H 0.928 0.030 1 458 42 42 LEU C C 173.739 0.300 1 459 42 42 LEU CA C 52.175 0.300 1 460 42 42 LEU CB C 42.614 0.300 1 461 42 42 LEU CG C 27.103 0.300 1 462 42 42 LEU CD1 C 26.252 0.300 2 463 42 42 LEU CD2 C 23.673 0.300 2 464 42 42 LEU N N 122.110 0.300 1 465 43 43 PRO HA H 4.551 0.030 1 466 43 43 PRO HB2 H 2.483 0.030 2 467 43 43 PRO HB3 H 1.908 0.030 2 468 43 43 PRO HG2 H 2.145 0.030 1 469 43 43 PRO HG3 H 2.145 0.030 1 470 43 43 PRO HD2 H 3.966 0.030 2 471 43 43 PRO HD3 H 3.550 0.030 2 472 43 43 PRO C C 178.594 0.300 1 473 43 43 PRO CA C 62.005 0.300 1 474 43 43 PRO CB C 33.198 0.300 1 475 43 43 PRO CG C 28.255 0.300 1 476 43 43 PRO CD C 50.279 0.300 1 477 44 44 ARG H H 9.052 0.030 1 478 44 44 ARG HA H 3.816 0.030 1 479 44 44 ARG HB2 H 1.344 0.030 2 480 44 44 ARG HB3 H 1.522 0.030 2 481 44 44 ARG HG2 H 2.074 0.030 2 482 44 44 ARG HG3 H 1.841 0.030 2 483 44 44 ARG HD2 H 3.033 0.030 2 484 44 44 ARG HD3 H 3.110 0.030 2 485 44 44 ARG HE H 6.815 0.030 1 486 44 44 ARG C C 174.676 0.300 1 487 44 44 ARG CA C 61.655 0.300 1 488 44 44 ARG CB C 27.669 0.300 1 489 44 44 ARG CG C 28.089 0.300 1 490 44 44 ARG CD C 43.192 0.300 1 491 44 44 ARG N N 124.429 0.300 1 492 45 45 PRO HA H 4.205 0.030 1 493 45 45 PRO HB2 H 2.383 0.030 2 494 45 45 PRO HB3 H 1.913 0.030 2 495 45 45 PRO HG2 H 2.122 0.030 2 496 45 45 PRO HG3 H 1.995 0.030 2 497 45 45 PRO HD2 H 3.806 0.030 2 498 45 45 PRO HD3 H 3.590 0.030 2 499 45 45 PRO C C 179.473 0.300 1 500 45 45 PRO CA C 66.374 0.300 1 501 45 45 PRO CB C 30.942 0.300 1 502 45 45 PRO CG C 28.579 0.300 1 503 45 45 PRO CD C 50.402 0.300 1 504 46 46 GLU H H 7.204 0.030 1 505 46 46 GLU HA H 4.224 0.030 1 506 46 46 GLU HB2 H 2.172 0.030 2 507 46 46 GLU HB3 H 2.109 0.030 2 508 46 46 GLU HG2 H 2.399 0.030 2 509 46 46 GLU HG3 H 2.228 0.030 2 510 46 46 GLU C C 179.587 0.300 1 511 46 46 GLU CA C 58.822 0.300 1 512 46 46 GLU CB C 29.908 0.300 1 513 46 46 GLU CG C 36.597 0.300 1 514 46 46 GLU N N 115.575 0.300 1 515 47 47 ILE H H 7.705 0.030 1 516 47 47 ILE HA H 3.723 0.030 1 517 47 47 ILE HB H 2.023 0.030 1 518 47 47 ILE HG12 H 0.620 0.030 2 519 47 47 ILE HG13 H 1.785 0.030 2 520 47 47 ILE HG2 H 1.261 0.030 1 521 47 47 ILE HD1 H 0.803 0.030 1 522 47 47 ILE C C 177.744 0.300 1 523 47 47 ILE CA C 66.165 0.300 1 524 47 47 ILE CB C 38.576 0.300 1 525 47 47 ILE CG1 C 29.137 0.300 1 526 47 47 ILE CG2 C 19.157 0.300 1 527 47 47 ILE CD1 C 13.798 0.300 1 528 47 47 ILE N N 122.570 0.300 1 529 48 48 ILE H H 8.340 0.030 1 530 48 48 ILE HA H 3.722 0.030 1 531 48 48 ILE HB H 1.653 0.030 1 532 48 48 ILE HG12 H 0.193 0.030 2 533 48 48 ILE HG13 H 1.013 0.030 2 534 48 48 ILE HG2 H 0.905 0.030 1 535 48 48 ILE HD1 H 0.535 0.030 1 536 48 48 ILE C C 179.809 0.300 1 537 48 48 ILE CA C 66.080 0.300 1 538 48 48 ILE CB C 38.492 0.300 1 539 48 48 ILE CG1 C 28.160 0.300 1 540 48 48 ILE CG2 C 16.866 0.300 1 541 48 48 ILE CD1 C 13.722 0.300 1 542 48 48 ILE N N 120.884 0.300 1 543 49 49 GLN H H 7.976 0.030 1 544 49 49 GLN HA H 4.085 0.030 1 545 49 49 GLN HB2 H 2.112 0.030 2 546 49 49 GLN HB3 H 2.279 0.030 2 547 49 49 GLN HG2 H 2.462 0.030 1 548 49 49 GLN HG3 H 2.462 0.030 1 549 49 49 GLN HE21 H 6.815 0.030 2 550 49 49 GLN HE22 H 7.903 0.030 2 551 49 49 GLN C C 177.149 0.300 1 552 49 49 GLN CA C 58.557 0.300 1 553 49 49 GLN CB C 28.736 0.300 1 554 49 49 GLN CG C 33.181 0.300 1 555 49 49 GLN N N 119.332 0.300 1 556 49 49 GLN NE2 N 114.690 0.300 1 557 50 50 TRP H H 8.105 0.030 1 558 50 50 TRP HA H 4.288 0.030 1 559 50 50 TRP HB2 H 3.680 0.030 2 560 50 50 TRP HB3 H 3.362 0.030 2 561 50 50 TRP HD1 H 7.221 0.030 1 562 50 50 TRP HE1 H 9.757 0.030 1 563 50 50 TRP HE3 H 6.892 0.030 1 564 50 50 TRP HZ2 H 7.066 0.030 1 565 50 50 TRP HZ3 H 6.049 0.030 1 566 50 50 TRP HH2 H 6.644 0.030 1 567 50 50 TRP C C 180.561 0.300 1 568 50 50 TRP CA C 62.869 0.300 1 569 50 50 TRP CB C 28.454 0.300 1 570 50 50 TRP CD1 C 126.022 0.300 1 571 50 50 TRP CE3 C 120.260 0.300 1 572 50 50 TRP CZ2 C 114.469 0.300 1 573 50 50 TRP CZ3 C 121.242 0.300 1 574 50 50 TRP CH2 C 123.549 0.300 1 575 50 50 TRP N N 120.360 0.300 1 576 50 50 TRP NE1 N 129.430 0.300 1 577 51 51 PHE H H 9.006 0.030 1 578 51 51 PHE HA H 3.822 0.030 1 579 51 51 PHE HB2 H 3.644 0.030 2 580 51 51 PHE HB3 H 3.367 0.030 2 581 51 51 PHE HD1 H 8.007 0.030 1 582 51 51 PHE HD2 H 8.007 0.030 1 583 51 51 PHE HE1 H 7.576 0.030 1 584 51 51 PHE HE2 H 7.576 0.030 1 585 51 51 PHE HZ H 7.375 0.030 1 586 51 51 PHE C C 178.300 0.300 1 587 51 51 PHE CA C 64.166 0.300 1 588 51 51 PHE CB C 39.253 0.300 1 589 51 51 PHE CD1 C 132.233 0.300 1 590 51 51 PHE CD2 C 132.233 0.300 1 591 51 51 PHE CE1 C 131.583 0.300 1 592 51 51 PHE CE2 C 131.583 0.300 1 593 51 51 PHE CZ C 130.004 0.300 1 594 51 51 PHE N N 121.494 0.300 1 595 52 52 GLY H H 8.012 0.030 1 596 52 52 GLY HA2 H 4.134 0.030 2 597 52 52 GLY HA3 H 3.753 0.030 2 598 52 52 GLY C C 177.237 0.300 1 599 52 52 GLY CA C 47.992 0.300 1 600 52 52 GLY N N 105.909 0.300 1 601 53 53 ASP H H 8.899 0.030 1 602 53 53 ASP HA H 4.387 0.030 1 603 53 53 ASP HB2 H 2.515 0.030 1 604 53 53 ASP HB3 H 2.515 0.030 1 605 53 53 ASP C C 179.335 0.300 1 606 53 53 ASP CA C 57.139 0.300 1 607 53 53 ASP CB C 40.009 0.300 1 608 53 53 ASP N N 124.253 0.300 1 609 54 54 THR H H 8.163 0.030 1 610 54 54 THR HA H 3.347 0.030 1 611 54 54 THR HB H 2.720 0.030 1 612 54 54 THR HG2 H -0.195 0.030 1 613 54 54 THR C C 175.832 0.300 1 614 54 54 THR CA C 67.078 0.300 1 615 54 54 THR CB C 67.152 0.300 1 616 54 54 THR CG2 C 20.910 0.300 1 617 54 54 THR N N 121.474 0.300 1 618 55 55 ARG H H 8.306 0.030 1 619 55 55 ARG HA H 3.918 0.030 1 620 55 55 ARG HB2 H 2.116 0.030 2 621 55 55 ARG HB3 H 1.700 0.030 2 622 55 55 ARG HG2 H 1.381 0.030 2 623 55 55 ARG HG3 H 2.202 0.030 2 624 55 55 ARG HD2 H 2.496 0.030 2 625 55 55 ARG HD3 H 2.235 0.030 2 626 55 55 ARG C C 179.244 0.300 1 627 55 55 ARG CA C 61.589 0.300 1 628 55 55 ARG CB C 31.368 0.300 1 629 55 55 ARG CG C 30.182 0.300 1 630 55 55 ARG CD C 43.290 0.300 1 631 55 55 ARG N N 121.178 0.300 1 632 56 56 TYR H H 7.857 0.030 1 633 56 56 TYR HA H 4.190 0.030 1 634 56 56 TYR HB2 H 3.198 0.030 1 635 56 56 TYR HB3 H 3.198 0.030 1 636 56 56 TYR HD1 H 7.110 0.030 1 637 56 56 TYR HD2 H 7.110 0.030 1 638 56 56 TYR HE1 H 6.674 0.030 1 639 56 56 TYR HE2 H 6.674 0.030 1 640 56 56 TYR C C 177.684 0.300 1 641 56 56 TYR CA C 62.265 0.300 1 642 56 56 TYR CB C 38.044 0.300 1 643 56 56 TYR CD1 C 133.356 0.300 1 644 56 56 TYR CD2 C 133.356 0.300 1 645 56 56 TYR CE1 C 118.194 0.300 1 646 56 56 TYR CE2 C 118.194 0.300 1 647 56 56 TYR N N 120.840 0.300 1 648 57 57 ALA H H 7.928 0.030 1 649 57 57 ALA HA H 4.001 0.030 1 650 57 57 ALA HB H 1.374 0.030 1 651 57 57 ALA C C 179.948 0.300 1 652 57 57 ALA CA C 55.039 0.300 1 653 57 57 ALA CB C 18.738 0.300 1 654 57 57 ALA N N 122.538 0.300 1 655 58 58 LEU H H 8.190 0.030 1 656 58 58 LEU HA H 3.889 0.030 1 657 58 58 LEU HB2 H 1.881 0.030 2 658 58 58 LEU HB3 H 1.343 0.030 2 659 58 58 LEU HG H 1.302 0.030 1 660 58 58 LEU HD1 H 0.377 0.030 1 661 58 58 LEU HD2 H 0.512 0.030 1 662 58 58 LEU C C 179.913 0.300 1 663 58 58 LEU CA C 57.585 0.300 1 664 58 58 LEU CB C 41.836 0.300 1 665 58 58 LEU CG C 26.564 0.300 1 666 58 58 LEU CD1 C 23.359 0.300 2 667 58 58 LEU CD2 C 25.409 0.300 2 668 58 58 LEU N N 119.291 0.300 1 669 59 59 LYS H H 7.807 0.030 1 670 59 59 LYS HA H 3.926 0.030 1 671 59 59 LYS HB2 H 1.784 0.030 2 672 59 59 LYS HB3 H 1.638 0.030 2 673 59 59 LYS HG2 H 1.196 0.030 2 674 59 59 LYS HG3 H 1.013 0.030 2 675 59 59 LYS HD2 H 1.618 0.030 2 676 59 59 LYS HD3 H 1.535 0.030 2 677 59 59 LYS HE2 H 2.911 0.030 1 678 59 59 LYS HE3 H 2.911 0.030 1 679 59 59 LYS C C 177.307 0.300 1 680 59 59 LYS CA C 58.203 0.300 1 681 59 59 LYS CB C 32.114 0.300 1 682 59 59 LYS CG C 24.535 0.300 1 683 59 59 LYS CD C 28.997 0.300 1 684 59 59 LYS CE C 42.174 0.300 1 685 59 59 LYS N N 119.855 0.300 1 686 60 60 HIS H H 7.380 0.030 1 687 60 60 HIS HA H 4.477 0.030 1 688 60 60 HIS HB2 H 3.393 0.030 2 689 60 60 HIS HB3 H 2.468 0.030 2 690 60 60 HIS HD2 H 6.397 0.030 1 691 60 60 HIS HE1 H 7.706 0.030 1 692 60 60 HIS C C 175.010 0.300 1 693 60 60 HIS CA C 56.614 0.300 1 694 60 60 HIS CB C 29.460 0.300 1 695 60 60 HIS CD2 C 121.423 0.300 1 696 60 60 HIS CE1 C 137.441 0.300 1 697 60 60 HIS N N 114.057 0.300 1 698 61 61 GLY H H 7.788 0.030 1 699 61 61 GLY HA2 H 4.034 0.030 2 700 61 61 GLY HA3 H 3.956 0.030 2 701 61 61 GLY C C 175.391 0.300 1 702 61 61 GLY CA C 46.916 0.300 1 703 61 61 GLY N N 109.356 0.300 1 704 62 62 GLN H H 8.210 0.030 1 705 62 62 GLN HA H 4.387 0.030 1 706 62 62 GLN HB2 H 1.753 0.030 2 707 62 62 GLN HB3 H 2.313 0.030 2 708 62 62 GLN HG2 H 2.294 0.030 1 709 62 62 GLN HG3 H 2.294 0.030 1 710 62 62 GLN HE21 H 6.804 0.030 2 711 62 62 GLN HE22 H 7.395 0.030 2 712 62 62 GLN C C 175.302 0.300 1 713 62 62 GLN CA C 54.863 0.300 1 714 62 62 GLN CB C 29.804 0.300 1 715 62 62 GLN CG C 33.529 0.300 1 716 62 62 GLN N N 116.546 0.300 1 717 62 62 GLN NE2 N 111.422 0.300 1 718 63 63 LEU H H 8.070 0.030 1 719 63 63 LEU HA H 4.385 0.030 1 720 63 63 LEU HB2 H 0.926 0.030 1 721 63 63 LEU HB3 H 0.926 0.030 1 722 63 63 LEU HG H 0.421 0.030 1 723 63 63 LEU HD1 H 0.434 0.030 1 724 63 63 LEU HD2 H 0.350 0.030 1 725 63 63 LEU C C 176.830 0.300 1 726 63 63 LEU CA C 52.911 0.300 1 727 63 63 LEU CB C 42.377 0.300 1 728 63 63 LEU CG C 26.751 0.300 1 729 63 63 LEU CD1 C 24.788 0.300 2 730 63 63 LEU CD2 C 25.034 0.300 2 731 63 63 LEU N N 122.281 0.300 1 732 64 64 LYS HA H 4.082 0.030 1 733 64 64 LYS HB2 H 1.950 0.030 2 734 64 64 LYS HB3 H 1.884 0.030 2 735 64 64 LYS HG2 H 1.450 0.030 2 736 64 64 LYS HG3 H 1.535 0.030 2 737 64 64 LYS HD2 H 1.693 0.030 1 738 64 64 LYS HD3 H 1.693 0.030 1 739 64 64 LYS HE2 H 3.050 0.030 1 740 64 64 LYS HE3 H 3.050 0.030 1 741 64 64 LYS C C 176.866 0.300 1 742 64 64 LYS CA C 58.637 0.300 1 743 64 64 LYS CB C 32.253 0.300 1 744 64 64 LYS CG C 25.093 0.300 1 745 64 64 LYS CD C 28.927 0.300 1 746 64 64 LYS CE C 42.244 0.300 1 747 65 65 TRP H H 6.871 0.030 1 748 65 65 TRP HA H 4.676 0.030 1 749 65 65 TRP HB2 H 3.626 0.030 2 750 65 65 TRP HB3 H 3.200 0.030 2 751 65 65 TRP HD1 H 7.513 0.030 1 752 65 65 TRP HE1 H 10.671 0.030 1 753 65 65 TRP HE3 H 7.353 0.030 1 754 65 65 TRP HZ2 H 7.369 0.030 1 755 65 65 TRP HZ3 H 7.569 0.030 1 756 65 65 TRP HH2 H 7.110 0.030 1 757 65 65 TRP C C 175.947 0.300 1 758 65 65 TRP CA C 54.856 0.300 1 759 65 65 TRP CB C 29.253 0.300 1 760 65 65 TRP CD1 C 128.176 0.300 1 761 65 65 TRP CE3 C 121.821 0.300 1 762 65 65 TRP CZ2 C 115.575 0.300 1 763 65 65 TRP CZ3 C 121.563 0.300 1 764 65 65 TRP CH2 C 124.917 0.300 1 765 65 65 TRP N N 112.045 0.300 1 766 65 65 TRP NE1 N 131.801 0.300 1 767 66 66 PHE H H 7.073 0.030 1 768 66 66 PHE HA H 4.305 0.030 1 769 66 66 PHE HB2 H 2.847 0.030 2 770 66 66 PHE HB3 H 2.146 0.030 2 771 66 66 PHE HD1 H 7.077 0.030 1 772 66 66 PHE HD2 H 7.077 0.030 1 773 66 66 PHE HE1 H 7.348 0.030 1 774 66 66 PHE HE2 H 7.348 0.030 1 775 66 66 PHE HZ H 7.222 0.030 1 776 66 66 PHE C C 174.398 0.300 1 777 66 66 PHE CA C 59.057 0.300 1 778 66 66 PHE CB C 40.009 0.300 1 779 66 66 PHE CD1 C 131.706 0.300 1 780 66 66 PHE CD2 C 131.706 0.300 1 781 66 66 PHE CE1 C 131.689 0.300 1 782 66 66 PHE CE2 C 131.689 0.300 1 783 66 66 PHE CZ C 130.089 0.300 1 784 66 66 PHE N N 122.542 0.300 1 785 67 67 ARG H H 7.234 0.030 1 786 67 67 ARG HA H 4.339 0.030 1 787 67 67 ARG HB2 H 1.725 0.030 2 788 67 67 ARG HB3 H 1.841 0.030 2 789 67 67 ARG HG2 H 1.572 0.030 1 790 67 67 ARG HG3 H 1.572 0.030 1 791 67 67 ARG HD2 H 3.200 0.030 1 792 67 67 ARG HD3 H 3.200 0.030 1 793 67 67 ARG C C 175.252 0.300 1 794 67 67 ARG CA C 55.672 0.300 1 795 67 67 ARG CB C 31.493 0.300 1 796 67 67 ARG CG C 26.766 0.300 1 797 67 67 ARG CD C 43.429 0.300 1 798 67 67 ARG N N 122.370 0.300 1 799 68 68 ASP H H 8.290 0.030 1 800 68 68 ASP HA H 4.537 0.030 1 801 68 68 ASP HB2 H 2.729 0.030 2 802 68 68 ASP HB3 H 2.670 0.030 2 803 68 68 ASP C C 176.141 0.300 1 804 68 68 ASP CA C 54.406 0.300 1 805 68 68 ASP CB C 41.284 0.300 1 806 68 68 ASP N N 120.973 0.300 1 807 69 69 ASN H H 8.324 0.030 1 808 69 69 ASN HA H 4.690 0.030 1 809 69 69 ASN HB2 H 2.780 0.030 2 810 69 69 ASN HB3 H 2.839 0.030 2 811 69 69 ASN HD21 H 7.617 0.030 2 812 69 69 ASN HD22 H 6.904 0.030 2 813 69 69 ASN C C 175.263 0.300 1 814 69 69 ASN CA C 53.608 0.300 1 815 69 69 ASN CB C 39.074 0.300 1 816 69 69 ASN N N 119.295 0.300 1 817 69 69 ASN ND2 N 112.993 0.300 1 818 70 70 ALA H H 8.302 0.030 1 819 70 70 ALA HA H 4.361 0.030 1 820 70 70 ALA HB H 1.416 0.030 1 821 70 70 ALA C C 177.857 0.300 1 822 70 70 ALA CA C 52.925 0.300 1 823 70 70 ALA CB C 19.306 0.300 1 824 70 70 ALA N N 123.840 0.300 1 825 71 71 SER H H 8.210 0.030 1 826 71 71 SER HA H 4.504 0.030 1 827 71 71 SER HB2 H 3.933 0.030 2 828 71 71 SER HB3 H 3.898 0.030 2 829 71 71 SER C C 174.629 0.300 1 830 71 71 SER CA C 58.439 0.300 1 831 71 71 SER CB C 64.105 0.300 1 832 71 71 SER N N 114.501 0.300 1 833 72 72 GLY H H 8.148 0.030 1 834 72 72 GLY HA2 H 4.171 0.030 2 835 72 72 GLY HA3 H 4.120 0.030 2 836 72 72 GLY C C 171.787 0.300 1 837 72 72 GLY CA C 44.725 0.300 1 838 72 72 GLY N N 110.446 0.300 1 839 73 73 PRO HA H 4.504 0.030 1 840 73 73 PRO HB2 H 2.303 0.030 2 841 73 73 PRO HB3 H 2.013 0.030 2 842 73 73 PRO HG2 H 2.037 0.030 1 843 73 73 PRO HG3 H 2.037 0.030 1 844 73 73 PRO HD2 H 3.643 0.030 1 845 73 73 PRO HD3 H 3.643 0.030 1 846 73 73 PRO C C 177.406 0.300 1 847 73 73 PRO CA C 63.256 0.300 1 848 73 73 PRO CB C 32.253 0.300 1 849 73 73 PRO CG C 27.261 0.300 1 850 73 73 PRO CD C 49.913 0.300 1 851 74 74 SER H H 8.525 0.030 1 852 74 74 SER HA H 4.504 0.030 1 853 74 74 SER HB2 H 3.918 0.030 1 854 74 74 SER HB3 H 3.918 0.030 1 855 74 74 SER C C 174.593 0.300 1 856 74 74 SER CA C 58.388 0.300 1 857 74 74 SER CB C 63.800 0.300 1 858 74 74 SER N N 116.392 0.300 1 stop_ save_