data_10040 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the RA Domain of Human Grb7 Protein ; _BMRB_accession_number 10040 _BMRB_flat_file_name bmr10040.str _Entry_type original _Submission_date 2006-11-09 _Accession_date 2006-11-10 _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 Li H. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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" 505 "13C chemical shifts" 392 "15N chemical shifts" 95 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 RA Domain of Human Grb7 Protein' _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 Li H. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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 'Growth factor receptor-bound protein 7' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Growth factor receptor-bound protein 7' $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 'RA domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GSSGSSGRPHVVKVYSEDGA CRSVEVAAGATARHVCEMLV QRAHALSDETWGLVECHPHL ALERGLEDHESVVEVQAAWP VGGDSRFVFRKNFASGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ARG 9 PRO 10 HIS 11 VAL 12 VAL 13 LYS 14 VAL 15 TYR 16 SER 17 GLU 18 ASP 19 GLY 20 ALA 21 CYS 22 ARG 23 SER 24 VAL 25 GLU 26 VAL 27 ALA 28 ALA 29 GLY 30 ALA 31 THR 32 ALA 33 ARG 34 HIS 35 VAL 36 CYS 37 GLU 38 MET 39 LEU 40 VAL 41 GLN 42 ARG 43 ALA 44 HIS 45 ALA 46 LEU 47 SER 48 ASP 49 GLU 50 THR 51 TRP 52 GLY 53 LEU 54 VAL 55 GLU 56 CYS 57 HIS 58 PRO 59 HIS 60 LEU 61 ALA 62 LEU 63 GLU 64 ARG 65 GLY 66 LEU 67 GLU 68 ASP 69 HIS 70 GLU 71 SER 72 VAL 73 VAL 74 GLU 75 VAL 76 GLN 77 ALA 78 ALA 79 TRP 80 PRO 81 VAL 82 GLY 83 GLY 84 ASP 85 SER 86 ARG 87 PHE 88 VAL 89 PHE 90 ARG 91 LYS 92 ASN 93 PHE 94 ALA 95 SER 96 GLY 97 PRO 98 SER 99 SER 100 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-17 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 1WGR "Solution Structure Of The Ra Domain Of Human Grb7 Protein" 100.00 100 100.00 100.00 1.67e-64 DBJ BAA07827 "GRB-7 SH2 domain protein [Homo sapiens]" 89.00 532 97.75 98.88 3.27e-52 DBJ BAA13412 "Grb7 protein [Homo sapiens]" 58.00 214 98.28 98.28 6.55e-32 DBJ BAA29059 "grb7 protein [Homo sapiens]" 89.00 532 97.75 98.88 3.27e-52 DBJ BAA29060 "Grb7V protein [Homo sapiens]" 89.00 447 97.75 98.88 4.94e-53 DBJ BAD96569 "growth factor receptor-bound protein 7 variant [Homo sapiens]" 89.00 532 97.75 98.88 3.01e-52 GB AAG25938 "growth factor receptor-bound protein 7 [Homo sapiens]" 89.00 532 97.75 98.88 3.27e-52 GB AAH06535 "Growth factor receptor-bound protein 7 [Homo sapiens]" 89.00 532 97.75 98.88 3.01e-52 GB AAP35332 "growth factor receptor-bound protein 7 [Homo sapiens]" 89.00 532 97.75 98.88 3.01e-52 GB AAP36681 "Homo sapiens growth factor receptor-bound protein 7 [synthetic construct]" 89.00 533 97.75 98.88 3.05e-52 GB AAX29563 "growth factor receptor-bound protein 7, partial [synthetic construct]" 89.00 533 97.75 98.88 3.05e-52 REF NP_001025173 "growth factor receptor-bound protein 7 isoform a [Homo sapiens]" 89.00 532 97.75 98.88 3.01e-52 REF NP_001229371 "growth factor receptor-bound protein 7 isoform b [Homo sapiens]" 89.00 555 97.75 98.88 4.54e-52 REF NP_001229372 "growth factor receptor-bound protein 7 isoform a [Homo sapiens]" 89.00 532 97.75 98.88 3.01e-52 REF NP_005301 "growth factor receptor-bound protein 7 isoform a [Homo sapiens]" 89.00 532 97.75 98.88 3.01e-52 REF XP_001171807 "PREDICTED: growth factor receptor-bound protein 7 isoform X3 [Pan troglodytes]" 89.00 555 97.75 98.88 3.66e-52 SP Q14451 "RecName: Full=Growth factor receptor-bound protein 7; AltName: Full=B47; AltName: Full=Epidermal growth factor receptor GRB-7; " 89.00 532 97.75 98.88 3.01e-52 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 P040223-63 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 1.17 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 0.897 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 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 'Growth factor receptor-bound protein 7' _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 3.983 0.030 1 2 7 7 GLY HA3 H 3.983 0.030 1 3 7 7 GLY CA C 45.205 0.300 1 4 8 8 ARG H H 8.071 0.030 1 5 8 8 ARG HA H 4.601 0.030 1 6 8 8 ARG HB2 H 1.692 0.030 2 7 8 8 ARG HB3 H 1.759 0.030 2 8 8 8 ARG HG2 H 1.612 0.030 1 9 8 8 ARG HG3 H 1.612 0.030 1 10 8 8 ARG HD2 H 3.171 0.030 1 11 8 8 ARG HD3 H 3.171 0.030 1 12 8 8 ARG CA C 53.874 0.300 1 13 8 8 ARG CB C 30.228 0.300 1 14 8 8 ARG CG C 26.667 0.300 1 15 8 8 ARG CD C 43.142 0.300 1 16 8 8 ARG N N 121.463 0.300 1 17 9 9 PRO HA H 4.512 0.030 1 18 9 9 PRO HB2 H 1.674 0.030 2 19 9 9 PRO HB3 H 2.137 0.030 2 20 9 9 PRO HG2 H 1.848 0.030 2 21 9 9 PRO HG3 H 1.928 0.030 2 22 9 9 PRO HD2 H 3.590 0.030 2 23 9 9 PRO HD3 H 3.753 0.030 2 24 9 9 PRO C C 176.368 0.300 1 25 9 9 PRO CA C 62.992 0.300 1 26 9 9 PRO CB C 32.460 0.300 1 27 9 9 PRO CG C 27.034 0.300 1 28 9 9 PRO CD C 50.467 0.300 1 29 10 10 HIS H H 8.778 0.030 1 30 10 10 HIS HA H 4.573 0.030 1 31 10 10 HIS HB2 H 2.912 0.030 2 32 10 10 HIS HB3 H 2.793 0.030 2 33 10 10 HIS HD2 H 6.861 0.030 1 34 10 10 HIS HE1 H 7.753 0.030 1 35 10 10 HIS C C 174.211 0.300 1 36 10 10 HIS CA C 55.832 0.300 1 37 10 10 HIS CB C 32.214 0.300 1 38 10 10 HIS CD2 C 120.886 0.300 1 39 10 10 HIS CE1 C 138.479 0.300 1 40 10 10 HIS N N 120.978 0.300 1 41 11 11 VAL H H 8.395 0.030 1 42 11 11 VAL HA H 4.629 0.030 1 43 11 11 VAL HB H 1.912 0.030 1 44 11 11 VAL HG1 H 0.804 0.030 1 45 11 11 VAL HG2 H 0.903 0.030 1 46 11 11 VAL C C 176.089 0.300 1 47 11 11 VAL CA C 62.042 0.300 1 48 11 11 VAL CB C 32.907 0.300 1 49 11 11 VAL CG1 C 21.467 0.300 2 50 11 11 VAL CG2 C 21.718 0.300 2 51 11 11 VAL N N 122.499 0.300 1 52 12 12 VAL H H 9.129 0.030 1 53 12 12 VAL HA H 4.502 0.030 1 54 12 12 VAL HB H 1.926 0.030 1 55 12 12 VAL HG1 H 0.835 0.030 1 56 12 12 VAL HG2 H 0.746 0.030 1 57 12 12 VAL C C 174.332 0.300 1 58 12 12 VAL CA C 60.581 0.300 1 59 12 12 VAL CB C 34.507 0.300 1 60 12 12 VAL CG1 C 21.467 0.300 2 61 12 12 VAL CG2 C 20.965 0.300 2 62 12 12 VAL N N 128.364 0.300 1 63 13 13 LYS H H 8.884 0.030 1 64 13 13 LYS HA H 4.850 0.030 1 65 13 13 LYS HB2 H 1.863 0.030 2 66 13 13 LYS HB3 H 1.530 0.030 2 67 13 13 LYS HG2 H 1.232 0.030 2 68 13 13 LYS HG3 H 1.463 0.030 2 69 13 13 LYS HD2 H 1.712 0.030 1 70 13 13 LYS HD3 H 1.712 0.030 1 71 13 13 LYS HE2 H 2.994 0.030 1 72 13 13 LYS HE3 H 2.994 0.030 1 73 13 13 LYS C C 175.980 0.300 1 74 13 13 LYS CA C 55.533 0.300 1 75 13 13 LYS CB C 34.006 0.300 1 76 13 13 LYS CG C 25.389 0.300 1 77 13 13 LYS CD C 29.742 0.300 1 78 13 13 LYS CE C 42.327 0.300 1 79 13 13 LYS N N 126.525 0.300 1 80 14 14 VAL H H 9.011 0.030 1 81 14 14 VAL HA H 4.589 0.030 1 82 14 14 VAL HB H 1.769 0.030 1 83 14 14 VAL HG1 H 0.787 0.030 1 84 14 14 VAL HG2 H 0.694 0.030 1 85 14 14 VAL C C 175.350 0.300 1 86 14 14 VAL CA C 61.620 0.300 1 87 14 14 VAL CB C 34.257 0.300 1 88 14 14 VAL CG1 C 23.223 0.300 2 89 14 14 VAL CG2 C 20.714 0.300 2 90 14 14 VAL N N 123.309 0.300 1 91 15 15 TYR H H 9.299 0.030 1 92 15 15 TYR HA H 5.450 0.030 1 93 15 15 TYR HB2 H 3.211 0.030 2 94 15 15 TYR HB3 H 3.115 0.030 2 95 15 15 TYR HD1 H 7.352 0.030 1 96 15 15 TYR HD2 H 7.352 0.030 1 97 15 15 TYR HE1 H 6.853 0.030 1 98 15 15 TYR HE2 H 6.853 0.030 1 99 15 15 TYR C C 175.919 0.300 1 100 15 15 TYR CA C 57.855 0.300 1 101 15 15 TYR CB C 40.166 0.300 1 102 15 15 TYR CD1 C 134.002 0.300 1 103 15 15 TYR CD2 C 134.002 0.300 1 104 15 15 TYR CE1 C 118.115 0.300 1 105 15 15 TYR CE2 C 118.115 0.300 1 106 15 15 TYR N N 129.129 0.300 1 107 16 16 SER H H 8.947 0.030 1 108 16 16 SER HA H 5.287 0.030 1 109 16 16 SER HB2 H 4.477 0.030 2 110 16 16 SER HB3 H 4.186 0.030 2 111 16 16 SER C C 177.761 0.300 1 112 16 16 SER CA C 56.729 0.300 1 113 16 16 SER CB C 65.367 0.300 1 114 16 16 SER N N 114.442 0.300 1 115 17 17 GLU H H 9.563 0.030 1 116 17 17 GLU HA H 4.116 0.030 1 117 17 17 GLU HB2 H 2.203 0.030 1 118 17 17 GLU HB3 H 2.203 0.030 1 119 17 17 GLU HG2 H 2.512 0.030 2 120 17 17 GLU HG3 H 2.311 0.030 2 121 17 17 GLU C C 176.477 0.300 1 122 17 17 GLU CA C 59.860 0.300 1 123 17 17 GLU CB C 29.889 0.300 1 124 17 17 GLU CG C 37.558 0.300 1 125 17 17 GLU N N 123.173 0.300 1 126 18 18 ASP H H 8.182 0.030 1 127 18 18 ASP HA H 4.610 0.030 1 128 18 18 ASP HB2 H 3.022 0.030 2 129 18 18 ASP HB3 H 2.749 0.030 2 130 18 18 ASP C C 176.973 0.300 1 131 18 18 ASP CA C 53.703 0.300 1 132 18 18 ASP CB C 40.207 0.300 1 133 18 18 ASP N N 115.649 0.300 1 134 19 19 GLY H H 8.101 0.030 1 135 19 19 GLY HA2 H 4.483 0.030 2 136 19 19 GLY HA3 H 3.800 0.030 2 137 19 19 GLY C C 174.332 0.300 1 138 19 19 GLY CA C 45.366 0.300 1 139 19 19 GLY N N 108.184 0.300 1 140 20 20 ALA H H 7.849 0.030 1 141 20 20 ALA HA H 4.437 0.030 1 142 20 20 ALA HB H 1.470 0.030 1 143 20 20 ALA C C 175.919 0.300 1 144 20 20 ALA CA C 52.454 0.300 1 145 20 20 ALA CB C 19.487 0.300 1 146 20 20 ALA N N 124.228 0.300 1 147 21 21 CYS H H 8.510 0.030 1 148 21 21 CYS HA H 4.643 0.030 1 149 21 21 CYS HB2 H 2.398 0.030 2 150 21 21 CYS HB3 H 2.248 0.030 2 151 21 21 CYS C C 173.933 0.300 1 152 21 21 CYS CA C 57.697 0.300 1 153 21 21 CYS CB C 29.889 0.300 1 154 21 21 CYS N N 118.591 0.300 1 155 22 22 ARG H H 8.616 0.030 1 156 22 22 ARG HA H 4.606 0.030 1 157 22 22 ARG HB2 H 1.612 0.030 2 158 22 22 ARG HB3 H 1.679 0.030 2 159 22 22 ARG HG2 H 1.550 0.030 1 160 22 22 ARG HG3 H 1.550 0.030 1 161 22 22 ARG HD2 H 3.038 0.030 1 162 22 22 ARG HD3 H 3.038 0.030 1 163 22 22 ARG C C 174.187 0.300 1 164 22 22 ARG CA C 54.548 0.300 1 165 22 22 ARG CB C 32.889 0.300 1 166 22 22 ARG CG C 26.705 0.300 1 167 22 22 ARG CD C 43.396 0.300 1 168 22 22 ARG N N 127.751 0.300 1 169 23 23 SER H H 8.557 0.030 1 170 23 23 SER HA H 5.242 0.030 1 171 23 23 SER HB2 H 3.652 0.030 2 172 23 23 SER HB3 H 3.589 0.030 2 173 23 23 SER C C 174.115 0.300 1 174 23 23 SER CA C 57.573 0.300 1 175 23 23 SER CB C 64.234 0.300 1 176 23 23 SER N N 118.385 0.300 1 177 24 24 VAL H H 9.061 0.030 1 178 24 24 VAL HA H 4.445 0.030 1 179 24 24 VAL HB H 1.955 0.030 1 180 24 24 VAL HG1 H 0.753 0.030 1 181 24 24 VAL HG2 H 0.712 0.030 1 182 24 24 VAL C C 173.775 0.300 1 183 24 24 VAL CA C 59.931 0.300 1 184 24 24 VAL CB C 34.657 0.300 1 185 24 24 VAL CG1 C 21.718 0.300 2 186 24 24 VAL CG2 C 19.880 0.300 2 187 24 24 VAL N N 122.225 0.300 1 188 25 25 GLU H H 8.369 0.030 1 189 25 25 GLU HA H 5.022 0.030 1 190 25 25 GLU HB2 H 1.844 0.030 2 191 25 25 GLU HB3 H 1.880 0.030 2 192 25 25 GLU HG2 H 2.195 0.030 2 193 25 25 GLU HG3 H 2.013 0.030 2 194 25 25 GLU C C 176.392 0.300 1 195 25 25 GLU CA C 55.545 0.300 1 196 25 25 GLU CB C 30.628 0.300 1 197 25 25 GLU CG C 37.229 0.300 1 198 25 25 GLU N N 124.918 0.300 1 199 26 26 VAL H H 8.952 0.030 1 200 26 26 VAL HA H 4.664 0.030 1 201 26 26 VAL HB H 2.162 0.030 1 202 26 26 VAL HG1 H 0.736 0.030 1 203 26 26 VAL HG2 H 0.602 0.030 1 204 26 26 VAL C C 174.429 0.300 1 205 26 26 VAL CA C 58.682 0.300 1 206 26 26 VAL CB C 35.480 0.300 1 207 26 26 VAL CG1 C 22.758 0.300 2 208 26 26 VAL CG2 C 19.158 0.300 2 209 26 26 VAL N N 117.703 0.300 1 210 27 27 ALA H H 8.400 0.030 1 211 27 27 ALA HA H 4.494 0.030 1 212 27 27 ALA HB H 1.421 0.030 1 213 27 27 ALA C C 178.294 0.300 1 214 27 27 ALA CA C 51.188 0.300 1 215 27 27 ALA CB C 19.693 0.300 1 216 27 27 ALA N N 123.905 0.300 1 217 28 28 ALA H H 8.741 0.030 1 218 28 28 ALA HA H 3.750 0.030 1 219 28 28 ALA HB H 1.408 0.030 1 220 28 28 ALA C C 179.045 0.300 1 221 28 28 ALA CA C 54.883 0.300 1 222 28 28 ALA CB C 18.048 0.300 1 223 28 28 ALA N N 121.786 0.300 1 224 29 29 GLY H H 8.266 0.030 1 225 29 29 GLY HA2 H 4.004 0.030 2 226 29 29 GLY HA3 H 3.843 0.030 2 227 29 29 GLY C C 174.890 0.300 1 228 29 29 GLY CA C 44.715 0.300 1 229 29 29 GLY N N 106.501 0.300 1 230 30 30 ALA H H 7.650 0.030 1 231 30 30 ALA HA H 4.415 0.030 1 232 30 30 ALA HB H 1.449 0.030 1 233 30 30 ALA C C 178.572 0.300 1 234 30 30 ALA CA C 53.124 0.300 1 235 30 30 ALA CB C 19.323 0.300 1 236 30 30 ALA N N 122.837 0.300 1 237 31 31 THR H H 8.557 0.030 1 238 31 31 THR HA H 5.118 0.030 1 239 31 31 THR HB H 5.036 0.030 1 240 31 31 THR HG2 H 1.265 0.030 1 241 31 31 THR C C 176.077 0.300 1 242 31 31 THR CA C 60.036 0.300 1 243 31 31 THR CB C 71.822 0.300 1 244 31 31 THR CG2 C 21.969 0.300 1 245 31 31 THR N N 115.345 0.300 1 246 32 32 ALA H H 8.578 0.030 1 247 32 32 ALA HA H 3.690 0.030 1 248 32 32 ALA HB H 1.471 0.030 1 249 32 32 ALA C C 179.420 0.300 1 250 32 32 ALA CA C 55.744 0.300 1 251 32 32 ALA CB C 18.706 0.300 1 252 32 32 ALA N N 123.135 0.300 1 253 33 33 ARG H H 8.589 0.030 1 254 33 33 ARG HA H 4.121 0.030 1 255 33 33 ARG HB2 H 1.793 0.030 2 256 33 33 ARG HB3 H 1.758 0.030 2 257 33 33 ARG HG2 H 1.650 0.030 1 258 33 33 ARG HG3 H 1.650 0.030 1 259 33 33 ARG HD2 H 3.240 0.030 1 260 33 33 ARG HD3 H 3.240 0.030 1 261 33 33 ARG C C 177.870 0.300 1 262 33 33 ARG CA C 59.227 0.300 1 263 33 33 ARG CB C 29.642 0.300 1 264 33 33 ARG CG C 26.232 0.300 1 265 33 33 ARG CD C 42.820 0.300 1 266 33 33 ARG N N 117.980 0.300 1 267 34 34 HIS H H 7.708 0.030 1 268 34 34 HIS HA H 4.313 0.030 1 269 34 34 HIS HB2 H 3.403 0.030 2 270 34 34 HIS HB3 H 3.300 0.030 2 271 34 34 HIS HD2 H 6.877 0.030 1 272 34 34 HIS HE1 H 7.854 0.030 1 273 34 34 HIS C C 178.899 0.300 1 274 34 34 HIS CA C 59.702 0.300 1 275 34 34 HIS CB C 30.670 0.300 1 276 34 34 HIS CD2 C 118.154 0.300 1 277 34 34 HIS CE1 C 139.091 0.300 1 278 34 34 HIS N N 119.032 0.300 1 279 35 35 VAL H H 8.164 0.030 1 280 35 35 VAL HA H 3.482 0.030 1 281 35 35 VAL HB H 2.050 0.030 1 282 35 35 VAL HG1 H 0.654 0.030 1 283 35 35 VAL HG2 H 0.913 0.030 1 284 35 35 VAL C C 177.688 0.300 1 285 35 35 VAL CA C 66.897 0.300 1 286 35 35 VAL CB C 31.081 0.300 1 287 35 35 VAL CG1 C 21.525 0.300 2 288 35 35 VAL CG2 C 24.320 0.300 2 289 35 35 VAL N N 118.558 0.300 1 290 36 36 CYS H H 8.471 0.030 1 291 36 36 CYS HA H 3.814 0.030 1 292 36 36 CYS HB2 H 3.309 0.030 2 293 36 36 CYS HB3 H 2.916 0.030 2 294 36 36 CYS C C 176.792 0.300 1 295 36 36 CYS CA C 64.804 0.300 1 296 36 36 CYS CB C 27.011 0.300 1 297 36 36 CYS N N 117.889 0.300 1 298 37 37 GLU H H 8.208 0.030 1 299 37 37 GLU HA H 3.969 0.030 1 300 37 37 GLU HB2 H 2.168 0.030 2 301 37 37 GLU HB3 H 2.011 0.030 2 302 37 37 GLU HG2 H 2.289 0.030 2 303 37 37 GLU HG3 H 2.532 0.030 2 304 37 37 GLU C C 178.936 0.300 1 305 37 37 GLU CA C 59.333 0.300 1 306 37 37 GLU CB C 29.272 0.300 1 307 37 37 GLU CG C 36.983 0.300 1 308 37 37 GLU N N 117.832 0.300 1 309 38 38 MET H H 7.622 0.030 1 310 38 38 MET HA H 4.112 0.030 1 311 38 38 MET HB2 H 2.200 0.030 2 312 38 38 MET HB3 H 2.009 0.030 2 313 38 38 MET HG2 H 2.437 0.030 2 314 38 38 MET HG3 H 2.636 0.030 2 315 38 38 MET HE H 2.059 0.030 1 316 38 38 MET C C 178.257 0.300 1 317 38 38 MET CA C 58.172 0.300 1 318 38 38 MET CB C 33.218 0.300 1 319 38 38 MET CG C 31.720 0.300 1 320 38 38 MET CE C 17.113 0.300 1 321 38 38 MET N N 117.524 0.300 1 322 39 39 LEU H H 7.556 0.030 1 323 39 39 LEU HA H 3.859 0.030 1 324 39 39 LEU HB2 H 1.144 0.030 2 325 39 39 LEU HB3 H 0.597 0.030 2 326 39 39 LEU HG H 1.485 0.030 1 327 39 39 LEU HD1 H 0.088 0.030 1 328 39 39 LEU HD2 H 0.383 0.030 1 329 39 39 LEU C C 178.415 0.300 1 330 39 39 LEU CA C 56.377 0.300 1 331 39 39 LEU CB C 42.281 0.300 1 332 39 39 LEU CG C 26.067 0.300 1 333 39 39 LEU CD1 C 26.047 0.300 2 334 39 39 LEU CD2 C 21.936 0.300 2 335 39 39 LEU N N 119.002 0.300 1 336 40 40 VAL H H 7.788 0.030 1 337 40 40 VAL HA H 3.706 0.030 1 338 40 40 VAL HB H 1.995 0.030 1 339 40 40 VAL HG1 H 0.795 0.030 1 340 40 40 VAL HG2 H 0.770 0.030 1 341 40 40 VAL C C 176.549 0.300 1 342 40 40 VAL CA C 63.871 0.300 1 343 40 40 VAL CB C 32.396 0.300 1 344 40 40 VAL CG1 C 21.714 0.300 2 345 40 40 VAL CG2 C 20.965 0.300 2 346 40 40 VAL N N 118.559 0.300 1 347 41 41 GLN H H 7.922 0.030 1 348 41 41 GLN HA H 4.180 0.030 1 349 41 41 GLN HB2 H 2.095 0.030 2 350 41 41 GLN HB3 H 1.997 0.030 2 351 41 41 GLN HG2 H 2.357 0.030 2 352 41 41 GLN HG3 H 2.417 0.030 2 353 41 41 GLN HE21 H 7.474 0.030 2 354 41 41 GLN HE22 H 6.807 0.030 2 355 41 41 GLN C C 177.010 0.300 1 356 41 41 GLN CA C 56.782 0.300 1 357 41 41 GLN CB C 28.819 0.300 1 358 41 41 GLN CG C 34.023 0.300 1 359 41 41 GLN N N 121.106 0.300 1 360 41 41 GLN NE2 N 112.248 0.300 1 361 42 42 ARG H H 8.033 0.030 1 362 42 42 ARG HA H 4.205 0.030 1 363 42 42 ARG HB2 H 1.734 0.030 2 364 42 42 ARG HB3 H 1.880 0.030 2 365 42 42 ARG HG2 H 1.673 0.030 1 366 42 42 ARG HG3 H 1.673 0.030 1 367 42 42 ARG HD2 H 3.184 0.030 2 368 42 42 ARG HD3 H 3.143 0.030 2 369 42 42 ARG C C 176.343 0.300 1 370 42 42 ARG CA C 56.817 0.300 1 371 42 42 ARG CB C 30.423 0.300 1 372 42 42 ARG CG C 27.235 0.300 1 373 42 42 ARG CD C 43.314 0.300 1 374 42 42 ARG N N 119.768 0.300 1 375 43 43 ALA H H 8.108 0.030 1 376 43 43 ALA HA H 4.244 0.030 1 377 43 43 ALA HB H 1.293 0.030 1 378 43 43 ALA C C 177.409 0.300 1 379 43 43 ALA CA C 52.789 0.300 1 380 43 43 ALA CB C 18.994 0.300 1 381 43 43 ALA N N 122.390 0.300 1 382 44 44 HIS HA H 4.522 0.030 1 383 44 44 HIS HB2 H 3.170 0.030 2 384 44 44 HIS HB3 H 3.092 0.030 2 385 44 44 HIS HD2 H 6.957 0.030 1 386 44 44 HIS HE1 H 7.854 0.030 1 387 44 44 HIS C C 175.326 0.300 1 388 44 44 HIS CA C 56.617 0.300 1 389 44 44 HIS CB C 30.217 0.300 1 390 44 44 HIS CD2 C 119.947 0.300 1 391 44 44 HIS CE1 C 138.234 0.300 1 392 44 44 HIS N N 119.768 0.300 1 393 45 45 ALA H H 8.061 0.030 1 394 45 45 ALA HA H 4.312 0.030 1 395 45 45 ALA HB H 1.349 0.030 1 396 45 45 ALA C C 177.506 0.300 1 397 45 45 ALA CA C 52.789 0.300 1 398 45 45 ALA CB C 19.469 0.300 1 399 45 45 ALA N N 123.832 0.300 1 400 46 46 LEU H H 8.328 0.030 1 401 46 46 LEU HA H 4.430 0.030 1 402 46 46 LEU HB2 H 1.735 0.030 2 403 46 46 LEU HB3 H 1.697 0.030 2 404 46 46 LEU HD1 H 0.955 0.030 1 405 46 46 LEU HD2 H 0.901 0.030 1 406 46 46 LEU C C 177.567 0.300 1 407 46 46 LEU CA C 55.093 0.300 1 408 46 46 LEU CB C 41.975 0.300 1 409 46 46 LEU CG C 27.034 0.300 1 410 46 46 LEU CD1 C 25.228 0.300 2 411 46 46 LEU CD2 C 23.222 0.300 2 412 46 46 LEU N N 120.092 0.300 1 413 47 47 SER H H 8.061 0.030 1 414 47 47 SER HA H 4.100 0.030 1 415 47 47 SER HB2 H 3.654 0.030 2 416 47 47 SER HB3 H 3.761 0.030 2 417 47 47 SER C C 174.066 0.300 1 418 47 47 SER CA C 58.805 0.300 1 419 47 47 SER CB C 63.988 0.300 1 420 47 47 SER N N 115.260 0.300 1 421 48 48 ASP HA H 4.662 0.030 1 422 48 48 ASP HB2 H 2.823 0.030 2 423 48 48 ASP HB3 H 2.750 0.030 2 424 48 48 ASP C C 176.125 0.300 1 425 48 48 ASP CA C 54.267 0.300 1 426 48 48 ASP CB C 41.027 0.300 1 427 49 49 GLU H H 8.264 0.030 1 428 49 49 GLU HA H 4.457 0.030 1 429 49 49 GLU HB2 H 2.015 0.030 2 430 49 49 GLU HB3 H 1.937 0.030 2 431 49 49 GLU HG2 H 2.295 0.030 2 432 49 49 GLU HG3 H 2.202 0.030 2 433 49 49 GLU C C 176.028 0.300 1 434 49 49 GLU CA C 56.606 0.300 1 435 49 49 GLU CB C 30.875 0.300 1 436 49 49 GLU CG C 36.571 0.300 1 437 49 49 GLU N N 119.390 0.300 1 438 50 50 THR H H 8.532 0.030 1 439 50 50 THR HA H 4.564 0.030 1 440 50 50 THR HB H 4.233 0.030 1 441 50 50 THR HG2 H 1.238 0.030 1 442 50 50 THR C C 173.593 0.300 1 443 50 50 THR CA C 61.778 0.300 1 444 50 50 THR CB C 70.260 0.300 1 445 50 50 THR CG2 C 21.854 0.300 1 446 50 50 THR N N 115.089 0.300 1 447 51 51 TRP H H 8.448 0.030 1 448 51 51 TRP HA H 4.765 0.030 1 449 51 51 TRP HB2 H 2.736 0.030 2 450 51 51 TRP HB3 H 2.573 0.030 2 451 51 51 TRP HD1 H 7.059 0.030 1 452 51 51 TRP HE1 H 10.334 0.030 1 453 51 51 TRP HE3 H 6.082 0.030 1 454 51 51 TRP HZ2 H 7.372 0.030 1 455 51 51 TRP HZ3 H 6.768 0.030 1 456 51 51 TRP HH2 H 7.130 0.030 1 457 51 51 TRP C C 175.663 0.300 1 458 51 51 TRP CA C 56.536 0.300 1 459 51 51 TRP CB C 31.779 0.300 1 460 51 51 TRP CD1 C 126.116 0.300 1 461 51 51 TRP CE3 C 120.884 0.300 1 462 51 51 TRP CZ2 C 114.012 0.300 1 463 51 51 TRP CZ3 C 121.616 0.300 1 464 51 51 TRP CH2 C 124.161 0.300 1 465 51 51 TRP N N 124.991 0.300 1 466 51 51 TRP NE1 N 129.761 0.300 1 467 52 52 GLY H H 8.487 0.030 1 468 52 52 GLY HA2 H 4.825 0.030 2 469 52 52 GLY HA3 H 3.683 0.030 2 470 52 52 GLY C C 171.183 0.300 1 471 52 52 GLY CA C 45.225 0.300 1 472 52 52 GLY N N 108.147 0.300 1 473 53 53 LEU H H 9.052 0.030 1 474 53 53 LEU HA H 5.314 0.030 1 475 53 53 LEU HB2 H 1.598 0.030 2 476 53 53 LEU HB3 H 1.412 0.030 2 477 53 53 LEU HG H 1.688 0.030 1 478 53 53 LEU HD1 H 0.633 0.030 1 479 53 53 LEU HD2 H 0.595 0.030 1 480 53 53 LEU C C 176.792 0.300 1 481 53 53 LEU CA C 53.598 0.300 1 482 53 53 LEU CB C 45.792 0.300 1 483 53 53 LEU CG C 27.116 0.300 1 484 53 53 LEU CD1 C 25.479 0.300 2 485 53 53 LEU CD2 C 24.978 0.300 2 486 53 53 LEU N N 119.719 0.300 1 487 54 54 VAL H H 9.451 0.030 1 488 54 54 VAL HA H 4.841 0.030 1 489 54 54 VAL HB H 1.929 0.030 1 490 54 54 VAL HG1 H 0.705 0.030 1 491 54 54 VAL HG2 H 0.784 0.030 1 492 54 54 VAL C C 176.368 0.300 1 493 54 54 VAL CA C 60.441 0.300 1 494 54 54 VAL CB C 35.233 0.300 1 495 54 54 VAL CG1 C 21.467 0.300 1 496 54 54 VAL CG2 C 21.467 0.300 1 497 54 54 VAL N N 123.881 0.300 1 498 55 55 GLU H H 9.263 0.030 1 499 55 55 GLU HA H 5.088 0.030 1 500 55 55 GLU HB2 H 2.278 0.030 2 501 55 55 GLU HB3 H 2.073 0.030 2 502 55 55 GLU HG2 H 2.462 0.030 1 503 55 55 GLU HG3 H 2.462 0.030 1 504 55 55 GLU C C 174.127 0.300 1 505 55 55 GLU CA C 54.513 0.300 1 506 55 55 GLU CB C 31.738 0.300 1 507 55 55 GLU CG C 35.667 0.300 1 508 55 55 GLU N N 125.005 0.300 1 509 56 56 CYS H H 8.884 0.030 1 510 56 56 CYS HA H 4.787 0.030 1 511 56 56 CYS HB2 H 2.698 0.030 2 512 56 56 CYS HB3 H 2.581 0.030 2 513 56 56 CYS C C 172.867 0.300 1 514 56 56 CYS CA C 57.398 0.300 1 515 56 56 CYS CB C 29.560 0.300 1 516 56 56 CYS N N 123.614 0.300 1 517 57 57 HIS H H 8.439 0.030 1 518 57 57 HIS HA H 4.955 0.030 1 519 57 57 HIS HB2 H 2.918 0.030 2 520 57 57 HIS HB3 H 2.633 0.030 2 521 57 57 HIS HD2 H 6.604 0.030 1 522 57 57 HIS HE1 H 6.793 0.030 1 523 57 57 HIS C C 174.599 0.300 1 524 57 57 HIS CA C 52.120 0.300 1 525 57 57 HIS CB C 31.756 0.300 1 526 57 57 HIS CD2 C 117.923 0.300 1 527 57 57 HIS CE1 C 138.950 0.300 1 528 57 57 HIS N N 122.056 0.300 1 529 58 58 PRO HA H 4.302 0.030 1 530 58 58 PRO HB2 H 2.284 0.030 2 531 58 58 PRO HB3 H 2.003 0.030 2 532 58 58 PRO HG2 H 1.912 0.030 2 533 58 58 PRO HG3 H 1.813 0.030 2 534 58 58 PRO HD2 H 3.649 0.030 2 535 58 58 PRO HD3 H 3.453 0.030 2 536 58 58 PRO CA C 65.696 0.300 1 537 58 58 PRO CB C 31.728 0.300 1 538 58 58 PRO CG C 27.345 0.300 1 539 58 58 PRO CD C 50.920 0.300 1 540 59 59 HIS H H 9.173 0.030 1 541 59 59 HIS HA H 4.506 0.030 1 542 59 59 HIS HB2 H 3.140 0.030 2 543 59 59 HIS HB3 H 3.239 0.030 2 544 59 59 HIS HD2 H 7.013 0.030 1 545 59 59 HIS HE1 H 7.804 0.030 1 546 59 59 HIS C C 175.835 0.300 1 547 59 59 HIS CA C 58.312 0.300 1 548 59 59 HIS CB C 28.925 0.300 1 549 59 59 HIS CD2 C 119.947 0.300 1 550 59 59 HIS CE1 C 138.418 0.300 1 551 59 59 HIS N N 116.701 0.300 1 552 60 60 LEU H H 6.984 0.030 1 553 60 60 LEU HA H 4.340 0.030 1 554 60 60 LEU HB2 H 1.555 0.030 2 555 60 60 LEU HB3 H 1.326 0.030 2 556 60 60 LEU HG H 0.633 0.030 1 557 60 60 LEU HD1 H 0.575 0.030 1 558 60 60 LEU HD2 H 0.707 0.030 1 559 60 60 LEU C C 175.495 0.300 1 560 60 60 LEU CA C 53.668 0.300 1 561 60 60 LEU CB C 43.496 0.300 1 562 60 60 LEU CG C 25.268 0.300 1 563 60 60 LEU CD1 C 25.981 0.300 2 564 60 60 LEU CD2 C 22.218 0.300 2 565 60 60 LEU N N 118.728 0.300 1 566 61 61 ALA H H 7.842 0.030 1 567 61 61 ALA HA H 3.925 0.030 1 568 61 61 ALA HB H 1.391 0.030 1 569 61 61 ALA C C 175.423 0.300 1 570 61 61 ALA CA C 52.807 0.300 1 571 61 61 ALA CB C 16.651 0.300 1 572 61 61 ALA N N 120.985 0.300 1 573 62 62 LEU H H 6.971 0.030 1 574 62 62 LEU HA H 4.833 0.030 1 575 62 62 LEU HB2 H 1.436 0.030 2 576 62 62 LEU HB3 H 1.553 0.030 2 577 62 62 LEU HG H 1.513 0.030 1 578 62 62 LEU HD1 H 0.875 0.030 1 579 62 62 LEU HD2 H 0.873 0.030 1 580 62 62 LEU C C 175.689 0.300 1 581 62 62 LEU CA C 53.950 0.300 1 582 62 62 LEU CB C 46.950 0.300 1 583 62 62 LEU CG C 26.705 0.300 1 584 62 62 LEU CD1 C 24.567 0.300 1 585 62 62 LEU CD2 C 24.567 0.300 1 586 62 62 LEU N N 116.914 0.300 1 587 63 63 GLU H H 8.446 0.030 1 588 63 63 GLU HA H 5.206 0.030 1 589 63 63 GLU HB2 H 1.845 0.030 1 590 63 63 GLU HB3 H 1.845 0.030 1 591 63 63 GLU HG2 H 2.130 0.030 1 592 63 63 GLU HG3 H 2.130 0.030 1 593 63 63 GLU C C 175.108 0.300 1 594 63 63 GLU CA C 54.953 0.300 1 595 63 63 GLU CB C 33.136 0.300 1 596 63 63 GLU CG C 36.060 0.300 1 597 63 63 GLU N N 122.975 0.300 1 598 64 64 ARG H H 8.927 0.030 1 599 64 64 ARG HA H 4.675 0.030 1 600 64 64 ARG HB2 H 1.674 0.030 2 601 64 64 ARG HB3 H 2.089 0.030 2 602 64 64 ARG HG2 H 1.699 0.030 2 603 64 64 ARG HG3 H 1.649 0.030 2 604 64 64 ARG HD2 H 3.068 0.030 2 605 64 64 ARG HD3 H 3.485 0.030 2 606 64 64 ARG HE H 7.923 0.030 1 607 64 64 ARG C C 175.023 0.300 1 608 64 64 ARG CA C 55.516 0.300 1 609 64 64 ARG CB C 34.575 0.300 1 610 64 64 ARG CG C 27.609 0.300 1 611 64 64 ARG CD C 43.034 0.300 1 612 64 64 ARG N N 123.132 0.300 1 613 64 64 ARG NE N 121.403 0.300 1 614 65 65 GLY H H 9.179 0.030 1 615 65 65 GLY HA2 H 4.423 0.030 2 616 65 65 GLY HA3 H 3.678 0.030 2 617 65 65 GLY C C 173.048 0.300 1 618 65 65 GLY CA C 46.069 0.300 1 619 65 65 GLY N N 116.080 0.300 1 620 66 66 LEU H H 8.639 0.030 1 621 66 66 LEU HA H 4.512 0.030 1 622 66 66 LEU HB2 H 1.634 0.030 2 623 66 66 LEU HB3 H 1.457 0.030 2 624 66 66 LEU HG H 1.957 0.030 1 625 66 66 LEU HD1 H 0.907 0.030 1 626 66 66 LEU HD2 H 1.160 0.030 1 627 66 66 LEU C C 178.839 0.300 1 628 66 66 LEU CA C 56.413 0.300 1 629 66 66 LEU CB C 41.646 0.300 1 630 66 66 LEU CG C 31.227 0.300 1 631 66 66 LEU CD1 C 26.984 0.300 2 632 66 66 LEU CD2 C 25.389 0.300 2 633 66 66 LEU N N 127.372 0.300 1 634 67 67 GLU H H 9.601 0.030 1 635 67 67 GLU HA H 4.394 0.030 1 636 67 67 GLU HB2 H 2.278 0.030 2 637 67 67 GLU HB3 H 1.762 0.030 2 638 67 67 GLU HG2 H 2.540 0.030 2 639 67 67 GLU HG3 H 2.386 0.030 2 640 67 67 GLU C C 177.942 0.300 1 641 67 67 GLU CA C 56.096 0.300 1 642 67 67 GLU CB C 30.916 0.300 1 643 67 67 GLU CG C 37.229 0.300 1 644 67 67 GLU N N 123.451 0.300 1 645 68 68 ASP H H 8.755 0.030 1 646 68 68 ASP HA H 4.234 0.030 1 647 68 68 ASP HB2 H 2.826 0.030 2 648 68 68 ASP HB3 H 2.645 0.030 2 649 68 68 ASP C C 176.404 0.300 1 650 68 68 ASP CA C 57.627 0.300 1 651 68 68 ASP CB C 41.770 0.300 1 652 68 68 ASP N N 119.058 0.300 1 653 69 69 HIS H H 7.452 0.030 1 654 69 69 HIS HA H 4.585 0.030 1 655 69 69 HIS HB2 H 3.382 0.030 2 656 69 69 HIS HB3 H 3.018 0.030 2 657 69 69 HIS HD2 H 7.030 0.030 1 658 69 69 HIS HE1 H 7.893 0.030 1 659 69 69 HIS C C 175.738 0.300 1 660 69 69 HIS CA C 56.131 0.300 1 661 69 69 HIS CB C 30.957 0.300 1 662 69 69 HIS CD2 C 118.219 0.300 1 663 69 69 HIS CE1 C 139.449 0.300 1 664 69 69 HIS N N 109.372 0.300 1 665 70 70 GLU H H 7.347 0.030 1 666 70 70 GLU HA H 3.849 0.030 1 667 70 70 GLU HB2 H 1.951 0.030 2 668 70 70 GLU HB3 H 1.811 0.030 2 669 70 70 GLU HG2 H 1.941 0.030 2 670 70 70 GLU HG3 H 1.905 0.030 2 671 70 70 GLU C C 176.343 0.300 1 672 70 70 GLU CA C 58.576 0.300 1 673 70 70 GLU CB C 30.958 0.300 1 674 70 70 GLU CG C 38.770 0.300 1 675 70 70 GLU N N 121.026 0.300 1 676 71 71 SER H H 8.828 0.030 1 677 71 71 SER HA H 4.676 0.030 1 678 71 71 SER HB2 H 4.029 0.030 2 679 71 71 SER HB3 H 3.914 0.030 2 680 71 71 SER C C 175.737 0.300 1 681 71 71 SER CA C 56.413 0.300 1 682 71 71 SER CB C 62.607 0.300 1 683 71 71 SER N N 115.812 0.300 1 684 72 72 VAL H H 7.388 0.030 1 685 72 72 VAL HA H 3.539 0.030 1 686 72 72 VAL HB H 1.784 0.030 1 687 72 72 VAL HG1 H 0.490 0.030 1 688 72 72 VAL HG2 H 0.690 0.030 1 689 72 72 VAL C C 176.852 0.300 1 690 72 72 VAL CA C 66.141 0.300 1 691 72 72 VAL CB C 30.999 0.300 1 692 72 72 VAL CG1 C 21.854 0.300 2 693 72 72 VAL CG2 C 20.620 0.300 2 694 72 72 VAL N N 125.546 0.300 1 695 73 73 VAL H H 8.700 0.030 1 696 73 73 VAL HA H 3.350 0.030 1 697 73 73 VAL HB H 1.741 0.030 1 698 73 73 VAL HG1 H 0.431 0.030 1 699 73 73 VAL HG2 H 0.575 0.030 1 700 73 73 VAL C C 178.064 0.300 1 701 73 73 VAL CA C 66.404 0.300 1 702 73 73 VAL CB C 31.204 0.300 1 703 73 73 VAL CG1 C 20.374 0.300 2 704 73 73 VAL CG2 C 23.251 0.300 2 705 73 73 VAL N N 120.250 0.300 1 706 74 74 GLU H H 7.447 0.030 1 707 74 74 GLU HA H 3.935 0.030 1 708 74 74 GLU HB2 H 2.125 0.030 2 709 74 74 GLU HB3 H 2.021 0.030 2 710 74 74 GLU HG2 H 2.356 0.030 2 711 74 74 GLU HG3 H 2.245 0.030 2 712 74 74 GLU C C 179.626 0.300 1 713 74 74 GLU CA C 59.122 0.300 1 714 74 74 GLU CB C 29.742 0.300 1 715 74 74 GLU CG C 36.571 0.300 1 716 74 74 GLU N N 120.142 0.300 1 717 75 75 VAL H H 7.960 0.030 1 718 75 75 VAL HA H 3.672 0.030 1 719 75 75 VAL HB H 2.224 0.030 1 720 75 75 VAL HG1 H 1.157 0.030 1 721 75 75 VAL HG2 H 1.168 0.030 1 722 75 75 VAL C C 178.136 0.300 1 723 75 75 VAL CA C 66.650 0.300 1 724 75 75 VAL CB C 32.150 0.300 1 725 75 75 VAL CG1 C 22.429 0.300 2 726 75 75 VAL CG2 C 23.724 0.300 2 727 75 75 VAL N N 120.209 0.300 1 728 76 76 GLN H H 7.617 0.030 1 729 76 76 GLN HA H 1.771 0.030 1 730 76 76 GLN HB2 H 1.478 0.030 2 731 76 76 GLN HB3 H 1.351 0.030 2 732 76 76 GLN HG2 H 1.843 0.030 2 733 76 76 GLN HG3 H 1.550 0.030 2 734 76 76 GLN HE21 H 7.079 0.030 2 735 76 76 GLN HE22 H 6.838 0.030 2 736 76 76 GLN C C 178.318 0.300 1 737 76 76 GLN CA C 56.835 0.300 1 738 76 76 GLN CB C 27.668 0.300 1 739 76 76 GLN CG C 33.200 0.300 1 740 76 76 GLN N N 116.938 0.300 1 741 76 76 GLN NE2 N 109.108 0.300 1 742 77 77 ALA H H 7.817 0.030 1 743 77 77 ALA HA H 4.053 0.030 1 744 77 77 ALA HB H 1.454 0.030 1 745 77 77 ALA C C 178.148 0.300 1 746 77 77 ALA CA C 54.073 0.300 1 747 77 77 ALA CB C 18.089 0.300 1 748 77 77 ALA N N 122.083 0.300 1 749 78 78 ALA H H 6.998 0.030 1 750 78 78 ALA HA H 4.480 0.030 1 751 78 78 ALA HB H 1.562 0.030 1 752 78 78 ALA C C 177.991 0.300 1 753 78 78 ALA CA C 51.611 0.300 1 754 78 78 ALA CB C 19.210 0.300 1 755 78 78 ALA N N 117.614 0.300 1 756 79 79 TRP H H 7.566 0.030 1 757 79 79 TRP HA H 5.038 0.030 1 758 79 79 TRP HB2 H 3.447 0.030 2 759 79 79 TRP HB3 H 3.270 0.030 2 760 79 79 TRP HD1 H 7.257 0.030 1 761 79 79 TRP HE1 H 10.021 0.030 1 762 79 79 TRP HE3 H 7.523 0.030 1 763 79 79 TRP HZ2 H 5.833 0.030 1 764 79 79 TRP HZ3 H 6.894 0.030 1 765 79 79 TRP HH2 H 6.316 0.030 1 766 79 79 TRP C C 174.987 0.300 1 767 79 79 TRP CA C 53.915 0.300 1 768 79 79 TRP CB C 28.221 0.300 1 769 79 79 TRP CD1 C 124.148 0.300 1 770 79 79 TRP CE3 C 121.298 0.300 1 771 79 79 TRP CZ2 C 112.805 0.300 1 772 79 79 TRP CZ3 C 121.225 0.300 1 773 79 79 TRP CH2 C 124.970 0.300 1 774 79 79 TRP N N 121.958 0.300 1 775 79 79 TRP NE1 N 126.313 0.300 1 776 80 80 PRO HA H 4.587 0.030 1 777 80 80 PRO HB2 H 2.300 0.030 2 778 80 80 PRO HB3 H 1.863 0.030 2 779 80 80 PRO HG2 H 1.959 0.030 1 780 80 80 PRO HG3 H 1.959 0.030 1 781 80 80 PRO HD2 H 3.661 0.030 2 782 80 80 PRO HD3 H 3.935 0.030 2 783 80 80 PRO C C 177.918 0.300 1 784 80 80 PRO CA C 62.605 0.300 1 785 80 80 PRO CB C 31.885 0.300 1 786 80 80 PRO CG C 27.736 0.300 1 787 80 80 PRO CD C 50.303 0.300 1 788 81 81 VAL H H 8.702 0.030 1 789 81 81 VAL HA H 3.997 0.030 1 790 81 81 VAL HB H 2.070 0.030 1 791 81 81 VAL HG1 H 1.129 0.030 1 792 81 81 VAL HG2 H 1.025 0.030 1 793 81 81 VAL C C 178.076 0.300 1 794 81 81 VAL CA C 64.047 0.300 1 795 81 81 VAL CB C 31.748 0.300 1 796 81 81 VAL CG1 C 21.467 0.300 2 797 81 81 VAL CG2 C 20.965 0.300 2 798 81 81 VAL N N 124.976 0.300 1 799 82 82 GLY H H 9.038 0.030 1 800 82 82 GLY HA2 H 4.172 0.030 2 801 82 82 GLY HA3 H 3.885 0.030 2 802 82 82 GLY C C 174.962 0.300 1 803 82 82 GLY CA C 45.471 0.300 1 804 82 82 GLY N N 114.910 0.300 1 805 83 83 GLY H H 7.686 0.030 1 806 83 83 GLY HA2 H 4.195 0.030 2 807 83 83 GLY HA3 H 3.598 0.030 2 808 83 83 GLY C C 173.872 0.300 1 809 83 83 GLY CA C 44.926 0.300 1 810 83 83 GLY N N 106.922 0.300 1 811 84 84 ASP H H 8.251 0.030 1 812 84 84 ASP HA H 4.712 0.030 1 813 84 84 ASP HB2 H 2.711 0.030 2 814 84 84 ASP HB3 H 2.533 0.030 2 815 84 84 ASP C C 175.544 0.300 1 816 84 84 ASP CA C 53.668 0.300 1 817 84 84 ASP CB C 41.027 0.300 1 818 84 84 ASP N N 118.332 0.300 1 819 85 85 SER H H 7.343 0.030 1 820 85 85 SER HA H 4.379 0.030 1 821 85 85 SER HB2 H 2.683 0.030 2 822 85 85 SER HB3 H 2.023 0.030 2 823 85 85 SER C C 172.757 0.300 1 824 85 85 SER CA C 60.371 0.300 1 825 85 85 SER CB C 62.161 0.300 1 826 85 85 SER N N 115.712 0.300 1 827 86 86 ARG H H 7.974 0.030 1 828 86 86 ARG HA H 4.725 0.030 1 829 86 86 ARG HB2 H 1.796 0.030 1 830 86 86 ARG HB3 H 1.796 0.030 1 831 86 86 ARG HG2 H 1.238 0.030 2 832 86 86 ARG HG3 H 1.148 0.030 2 833 86 86 ARG HD2 H 2.575 0.030 2 834 86 86 ARG HD3 H 2.334 0.030 2 835 86 86 ARG HE H 6.472 0.030 1 836 86 86 ARG C C 174.344 0.300 1 837 86 86 ARG CA C 55.058 0.300 1 838 86 86 ARG CB C 32.248 0.300 1 839 86 86 ARG CG C 24.727 0.300 1 840 86 86 ARG CD C 42.783 0.300 1 841 86 86 ARG N N 117.040 0.300 1 842 86 86 ARG NE N 121.680 0.300 1 843 87 87 PHE H H 9.120 0.030 1 844 87 87 PHE HA H 6.022 0.030 1 845 87 87 PHE HB2 H 3.575 0.030 2 846 87 87 PHE HB3 H 3.144 0.030 2 847 87 87 PHE HD1 H 7.471 0.030 1 848 87 87 PHE HD2 H 7.471 0.030 1 849 87 87 PHE HE1 H 7.352 0.030 1 850 87 87 PHE HE2 H 7.352 0.030 1 851 87 87 PHE HZ H 7.247 0.030 1 852 87 87 PHE C C 176.307 0.300 1 853 87 87 PHE CA C 56.993 0.300 1 854 87 87 PHE CB C 42.140 0.300 1 855 87 87 PHE CD1 C 131.357 0.300 1 856 87 87 PHE CD2 C 131.357 0.300 1 857 87 87 PHE CE1 C 132.095 0.300 1 858 87 87 PHE CE2 C 132.095 0.300 1 859 87 87 PHE CZ C 129.635 0.300 1 860 87 87 PHE N N 118.698 0.300 1 861 88 88 VAL H H 9.510 0.030 1 862 88 88 VAL HA H 5.272 0.030 1 863 88 88 VAL HB H 1.793 0.030 1 864 88 88 VAL HG1 H 0.862 0.030 1 865 88 88 VAL HG2 H 0.888 0.030 1 866 88 88 VAL C C 174.236 0.300 1 867 88 88 VAL CA C 60.054 0.300 1 868 88 88 VAL CB C 35.644 0.300 1 869 88 88 VAL CG1 C 21.031 0.300 2 870 88 88 VAL CG2 C 22.347 0.300 2 871 88 88 VAL N N 121.286 0.300 1 872 89 89 PHE H H 8.743 0.030 1 873 89 89 PHE HA H 5.640 0.030 1 874 89 89 PHE HB2 H 2.789 0.030 2 875 89 89 PHE HB3 H 3.030 0.030 2 876 89 89 PHE HD1 H 7.107 0.030 1 877 89 89 PHE HD2 H 7.107 0.030 1 878 89 89 PHE HE1 H 6.856 0.030 1 879 89 89 PHE HE2 H 6.856 0.030 1 880 89 89 PHE HZ H 6.730 0.030 1 881 89 89 PHE C C 174.236 0.300 1 882 89 89 PHE CA C 55.058 0.300 1 883 89 89 PHE CB C 41.278 0.300 1 884 89 89 PHE CD1 C 131.530 0.300 1 885 89 89 PHE CD2 C 131.530 0.300 1 886 89 89 PHE CE1 C 131.466 0.300 1 887 89 89 PHE CE2 C 131.466 0.300 1 888 89 89 PHE CZ C 129.931 0.300 1 889 89 89 PHE N N 128.517 0.300 1 890 90 90 ARG H H 8.786 0.030 1 891 90 90 ARG HA H 4.603 0.030 1 892 90 90 ARG HB2 H 1.624 0.030 2 893 90 90 ARG HB3 H 1.559 0.030 2 894 90 90 ARG HG2 H 1.423 0.030 2 895 90 90 ARG HG3 H 1.360 0.030 2 896 90 90 ARG HD2 H 2.949 0.030 2 897 90 90 ARG HD3 H 3.013 0.030 2 898 90 90 ARG HE H 7.313 0.030 1 899 90 90 ARG C C 173.763 0.300 1 900 90 90 ARG CA C 54.676 0.300 1 901 90 90 ARG CB C 34.082 0.300 1 902 90 90 ARG CG C 25.800 0.300 1 903 90 90 ARG CD C 43.725 0.300 1 904 90 90 ARG N N 124.548 0.300 1 905 90 90 ARG NE N 104.261 0.300 1 906 91 91 LYS H H 7.758 0.030 1 907 91 91 LYS HA H 3.441 0.030 1 908 91 91 LYS HB2 H 0.785 0.030 2 909 91 91 LYS HB3 H 0.503 0.030 2 910 91 91 LYS HG2 H 0.496 0.030 2 911 91 91 LYS HG3 H 0.360 0.030 2 912 91 91 LYS HD2 H 1.304 0.030 2 913 91 91 LYS HD3 H 1.248 0.030 2 914 91 91 LYS HE2 H 2.712 0.030 1 915 91 91 LYS HE3 H 2.712 0.030 1 916 91 91 LYS C C 175.895 0.300 1 917 91 91 LYS CA C 55.973 0.300 1 918 91 91 LYS CB C 32.191 0.300 1 919 91 91 LYS CG C 23.909 0.300 1 920 91 91 LYS CD C 29.254 0.300 1 921 91 91 LYS CE C 42.031 0.300 1 922 91 91 LYS N N 123.904 0.300 1 923 92 92 ASN H H 8.362 0.030 1 924 92 92 ASN HA H 4.474 0.030 1 925 92 92 ASN HB2 H 2.648 0.030 2 926 92 92 ASN HB3 H 2.554 0.030 2 927 92 92 ASN HD21 H 7.414 0.030 2 928 92 92 ASN HD22 H 6.748 0.030 2 929 92 92 ASN C C 174.853 0.300 1 930 92 92 ASN CA C 52.965 0.300 1 931 92 92 ASN CB C 38.563 0.300 1 932 92 92 ASN N N 122.129 0.300 1 933 92 92 ASN ND2 N 111.960 0.300 1 934 93 93 PHE H H 8.155 0.030 1 935 93 93 PHE HA H 4.430 0.030 1 936 93 93 PHE HB2 H 2.892 0.030 2 937 93 93 PHE HB3 H 2.981 0.030 2 938 93 93 PHE HD1 H 7.149 0.030 1 939 93 93 PHE HD2 H 7.149 0.030 1 940 93 93 PHE HE1 H 7.300 0.030 1 941 93 93 PHE HE2 H 7.300 0.030 1 942 93 93 PHE C C 175.156 0.300 1 943 93 93 PHE CA C 58.043 0.300 1 944 93 93 PHE CB C 39.837 0.300 1 945 93 93 PHE CD1 C 131.799 0.300 1 946 93 93 PHE CD2 C 131.799 0.300 1 947 93 93 PHE CE1 C 131.543 0.300 1 948 93 93 PHE CE2 C 131.543 0.300 1 949 93 93 PHE N N 120.672 0.300 1 950 94 94 ALA H H 8.096 0.030 1 951 94 94 ALA HA H 4.285 0.030 1 952 94 94 ALA HB H 1.298 0.030 1 953 94 94 ALA C C 177.155 0.300 1 954 94 94 ALA CA C 52.209 0.300 1 955 94 94 ALA CB C 19.460 0.300 1 956 94 94 ALA N N 126.065 0.300 1 957 95 95 SER H H 8.165 0.030 1 958 95 95 SER HA H 4.406 0.030 1 959 95 95 SER HB2 H 3.861 0.030 1 960 95 95 SER HB3 H 3.861 0.030 1 961 95 95 SER C C 174.623 0.300 1 962 95 95 SER CA C 58.277 0.300 1 963 95 95 SER CB C 64.011 0.300 1 964 95 95 SER N N 115.350 0.300 1 965 96 96 GLY H H 8.255 0.030 1 966 96 96 GLY HA2 H 4.143 0.030 1 967 96 96 GLY HA3 H 4.143 0.030 1 968 96 96 GLY C C 171.813 0.300 1 969 96 96 GLY CA C 44.627 0.300 1 970 96 96 GLY N N 110.444 0.300 1 971 97 97 PRO HA H 4.500 0.030 1 972 97 97 PRO HB2 H 2.312 0.030 2 973 97 97 PRO HB3 H 1.987 0.030 2 974 97 97 PRO HG2 H 1.987 0.030 1 975 97 97 PRO HG3 H 1.987 0.030 1 976 97 97 PRO HD2 H 3.637 0.030 1 977 97 97 PRO HD3 H 3.637 0.030 1 978 97 97 PRO C C 177.440 0.300 1 979 97 97 PRO CA C 63.203 0.300 1 980 97 97 PRO CB C 32.131 0.300 1 981 97 97 PRO CG C 27.034 0.300 1 982 97 97 PRO CD C 49.727 0.300 1 983 98 98 SER H H 8.543 0.030 1 984 98 98 SER HA H 4.479 0.030 1 985 98 98 SER HB2 H 3.929 0.030 1 986 98 98 SER HB3 H 3.929 0.030 1 987 98 98 SER C C 174.721 0.300 1 988 98 98 SER CA C 58.783 0.300 1 989 98 98 SER CB C 63.787 0.300 1 990 98 98 SER N N 116.508 0.300 1 991 99 99 SER H H 8.351 0.030 1 992 99 99 SER N N 117.890 0.300 1 stop_ save_