data_25176 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The structure of Filamin repeat 21 bound to integrin ; _BMRB_accession_number 25176 _BMRB_flat_file_name bmr25176.str _Entry_type original _Submission_date 2014-08-28 _Accession_date 2014-08-28 _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 Liu Jianmin . . 2 Qin Jun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 784 "13C chemical shifts" 400 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-03-20 original author . stop_ _Original_release_date 2015-03-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural mechanism of integrin inactivation by filamin' _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 Liu Jianmin . . 2 Das Mitali . . 3 Yang Jun . . 4 Ithychanda Sujay S. . 5 Yakubenko Valentin P. . 6 Plow Edward F. . 7 Qin Jun . . stop_ _Journal_abbreviation 'Nat. Struct. Mol. Biol.' _Journal_name_full 'Nature Structural & Molecular Biology' _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 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Filamin repeat 21 bound to integrin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 entity_3 $entity_3 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 entity_1 _Molecular_mass 9762.817 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; GGAHKVRAGGPGLERAEAGV PAEFSIWTREAGAGGLAIAV EGPSKAEISFEDRKDGSCGV AYVVQEPGDYEVSVKFNEEH IPDSPFVVPVASPSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2236 GLY 2 2237 GLY 3 2238 ALA 4 2239 HIS 5 2240 LYS 6 2241 VAL 7 2242 ARG 8 2243 ALA 9 2244 GLY 10 2245 GLY 11 2246 PRO 12 2247 GLY 13 2248 LEU 14 2249 GLU 15 2250 ARG 16 2251 ALA 17 2252 GLU 18 2253 ALA 19 2254 GLY 20 2255 VAL 21 2256 PRO 22 2257 ALA 23 2258 GLU 24 2259 PHE 25 2260 SER 26 2261 ILE 27 2262 TRP 28 2263 THR 29 2264 ARG 30 2265 GLU 31 2266 ALA 32 2267 GLY 33 2268 ALA 34 2269 GLY 35 2270 GLY 36 2271 LEU 37 2272 ALA 38 2273 ILE 39 2274 ALA 40 2275 VAL 41 2276 GLU 42 2277 GLY 43 2278 PRO 44 2279 SER 45 2280 LYS 46 2281 ALA 47 2282 GLU 48 2283 ILE 49 2284 SER 50 2285 PHE 51 2286 GLU 52 2287 ASP 53 2288 ARG 54 2289 LYS 55 2290 ASP 56 2291 GLY 57 2292 SER 58 2293 CYS 59 2294 GLY 60 2295 VAL 61 2296 ALA 62 2297 TYR 63 2298 VAL 64 2299 VAL 65 2300 GLN 66 2301 GLU 67 2302 PRO 68 2303 GLY 69 2304 ASP 70 2305 TYR 71 2306 GLU 72 2307 VAL 73 2308 SER 74 2309 VAL 75 2310 LYS 76 2311 PHE 77 2312 ASN 78 2313 GLU 79 2314 GLU 80 2315 HIS 81 2316 ILE 82 2317 PRO 83 2318 ASP 84 2319 SER 85 2320 PRO 86 2321 PHE 87 2322 VAL 88 2323 VAL 89 2324 PRO 90 2325 VAL 91 2326 ALA 92 2327 SER 93 2328 PRO 94 2329 SER 95 2330 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2BRQ "Crystal Structure Of The Filamin A Repeat 21 Complexed With The Integrin Beta7 Cytoplasmic Tail Peptide" 98.95 97 100.00 100.00 7.70e-58 PDB 2JF1 "Crystal Structure Of The Filamin A Repeat 21 Complexed With The Integrin Beta2 Cytoplasmic Tail Peptide" 98.95 97 100.00 100.00 7.70e-58 PDB 2MTP "The Structure Of Filamin Repeat 21 Bound To Integrin" 100.00 95 100.00 100.00 2.07e-58 PDB 2W0P "Crystal Structure Of The Filamin A Repeat 21 Complexed With The Migfilin Peptide" 98.95 94 100.00 100.00 8.85e-58 PDB 3ISW "Crystal Structure Of Filamin-A Immunoglobulin-Like Repeat 21 An N-Terminal Peptide Of Cftr" 98.95 99 100.00 100.00 1.01e-57 PDB 4P3W "Crystal Structure Of The Human Filamin A Ig-like Domains 20-21 In Complex With Migfilin Peptide" 98.95 182 100.00 100.00 1.57e-57 REF XP_010831141 "PREDICTED: filamin-A-like, partial [Bison bison bison]" 100.00 217 100.00 100.00 5.03e-58 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 2581.817 _Mol_thiol_state 'not present' _Details . _Residue_count 21 _Mol_residue_sequence ; WKVGFFKRNRPPLEEDDEEG E ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 988 TRP 2 989 LYS 3 990 VAL 4 991 GLY 5 992 PHE 6 993 PHE 7 994 LYS 8 995 ARG 9 996 ASN 10 997 ARG 11 998 PRO 12 999 PRO 13 1000 LEU 14 1001 GLU 15 1002 GLU 16 1003 ASP 17 1004 ASP 18 1005 GLU 19 1006 GLU 20 1007 GLY 21 1008 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_3 _Molecular_mass 5618.380 _Mol_thiol_state 'not present' _Details . _Residue_count 47 _Mol_residue_sequence ; KKKITIHDRKEFAKFEEERA RAKWDTANNPLYKEATSTFT NITYRGT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 716 LYS 2 717 LYS 3 718 LYS 4 719 ILE 5 720 THR 6 721 ILE 7 722 HIS 8 723 ASP 9 724 ARG 10 725 LYS 11 726 GLU 12 727 PHE 13 728 ALA 14 729 LYS 15 730 PHE 16 731 GLU 17 732 GLU 18 733 GLU 19 734 ARG 20 735 ALA 21 736 ARG 22 737 ALA 23 738 LYS 24 739 TRP 25 740 ASP 26 741 THR 27 742 ALA 28 743 ASN 29 744 ASN 30 745 PRO 31 746 LEU 32 747 TYR 33 748 LYS 34 749 GLU 35 750 ALA 36 751 THR 37 752 SER 38 753 THR 39 754 PHE 40 755 THR 41 756 ASN 42 757 ILE 43 758 THR 44 759 TYR 45 760 ARG 46 761 GLY 47 762 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens $entity_3 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . 'pGST parallel' $entity_2 'recombinant technology' . Escherichia coli . pET31b $entity_3 'recombinant technology' . Escherichia coli . pET15b 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 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' $entity_2 . mM '[U-100% 13C; U-100% 15N; U-80% 2H]' $entity_3 . mM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.4 . pH pressure 1 . atm 'ionic strength' 25 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_H _Saveframe_category chemical_shift_reference _Details . 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 internal direct . . . 1 DSS C 13 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal direct . . . 1 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_assigned_chem_shift_list_1_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $H _Mol_system_component_name entity_3 _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 1 716 1 LYS H H 8.259 . . 2 716 1 LYS HA H 4.081 . . 3 716 1 LYS HB2 H 1.611 . . 4 716 1 LYS HB3 H 1.683 . . 5 716 1 LYS HG2 H 1.611 . . 6 716 1 LYS HD2 H 1.522 . . 7 716 1 LYS HE2 H 2.821 . . 8 716 1 LYS CA C 56.906 . . 9 716 1 LYS CB C 33.529 . . 10 716 1 LYS CG C 28.7 . . 11 716 1 LYS CD C 28.59 . . 12 716 1 LYS CE C 41.73 . . 13 716 1 LYS N N 53.663 . . 14 717 2 LYS H H 8.255 . . 15 717 2 LYS HA H 4.081 . . 16 717 2 LYS HB2 H 1.611 . . 17 717 2 LYS HB3 H 1.683 . . 18 717 2 LYS HG2 H 1.611 . . 19 717 2 LYS HD2 H 1.522 . . 20 717 2 LYS HE2 H 2.821 . . 21 717 2 LYS CA C 56.737 . . 22 717 2 LYS CB C 33.529 . . 23 717 2 LYS CG C 28.7 . . 24 717 2 LYS CD C 28.59 . . 25 717 2 LYS CE C 41.73 . . 26 717 2 LYS N N 53.775 . . 27 718 3 LYS H H 8.292 . . 28 718 3 LYS HA H 4.081 . . 29 718 3 LYS HB2 H 1.611 . . 30 718 3 LYS HB3 H 1.683 . . 31 718 3 LYS HG2 H 1.611 . . 32 718 3 LYS HD2 H 1.522 . . 33 718 3 LYS HE2 H 2.821 . . 34 718 3 LYS CA C 56.748 . . 35 718 3 LYS CB C 33.488 . . 36 718 3 LYS CG C 28.7 . . 37 718 3 LYS CD C 28.59 . . 38 718 3 LYS CE C 41.73 . . 39 718 3 LYS N N 56.291 . . 40 719 4 ILE H H 8.19 . . 41 719 4 ILE HA H 4.135 . . 42 719 4 ILE HB H 1.766 . . 43 719 4 ILE HG2 H 1.333 . . 44 719 4 ILE HG2 H 1.059 . . 45 719 4 ILE HG2 H 1.333 . . 46 719 4 ILE HD1 H 0.729 . . 47 719 4 ILE CA C 61.497 . . 48 719 4 ILE CB C 39.118 . . 49 719 4 ILE CG2 C 26.99 . . 50 719 4 ILE CD1 C 17.14 . . 51 719 4 ILE N N 55.913 . . 52 720 5 THR H H 8.363 . . 53 720 5 THR CA C 61.854 . . 54 720 5 THR CB C 70.466 . . 55 720 5 THR N N 45.514 . . 56 721 6 ILE H H 8.157 . . 57 721 6 ILE HA H 4.135 . . 58 721 6 ILE HB H 1.766 . . 59 721 6 ILE HG2 H 1.333 . . 60 721 6 ILE HG2 H 1.059 . . 61 721 6 ILE HG2 H 1.333 . . 62 721 6 ILE HD1 H 0.729 . . 63 721 6 ILE CA C 61.502 . . 64 721 6 ILE CB C 39.099 . . 65 721 6 ILE CG2 C 26.99 . . 66 721 6 ILE CD1 C 17.14 . . 67 721 6 ILE N N 54.588 . . 68 722 7 HIS H H 8.199 . . 69 722 7 HIS CA C 56.586 . . 70 722 7 HIS CB C 33.338 . . 71 722 7 HIS N N 54.392 . . 72 723 8 ASP H H 8.122 . . 73 723 8 ASP HA H 4.358 . . 74 723 8 ASP HB2 H 3.09 . . 75 723 8 ASP HB3 H 2.8 . . 76 723 8 ASP CA C 54.899 . . 77 723 8 ASP CB C 41.581 . . 78 723 8 ASP N N 49.65 . . 79 724 9 ARG H H 8.257 . . 80 724 9 ARG CA C 57.508 . . 81 724 9 ARG CB C 30.641 . . 82 724 9 ARG N N 50.626 . . 83 725 10 LYS H H 8.318 . . 84 725 10 LYS HA H 4.135 . . 85 725 10 LYS HB2 H 1.703 . . 86 725 10 LYS HB3 H 1.67 . . 87 725 10 LYS HG2 H 1.577 . . 88 725 10 LYS HD2 H 1.572 . . 89 725 10 LYS HE2 H 2.877 . . 90 725 10 LYS CA C 57.589 . . 91 725 10 LYS CB C 32.799 . . 92 725 10 LYS CG C 28.07 . . 93 725 10 LYS CD C 28.59 . . 94 725 10 LYS CE C 41.71 . . 95 725 10 LYS N N 51.707 . . 96 726 11 GLU H H 8.279 . . 97 726 11 GLU HA H 4.031 . . 98 726 11 GLU HB2 H 1.962 . . 99 726 11 GLU HG2 H 2.255 . . 100 726 11 GLU HG3 H 2.172 . . 101 726 11 GLU CA C 57.745 . . 102 726 11 GLU CB C 30.254 . . 103 726 11 GLU CG C 36.16 . . 104 726 11 GLU N N 48.649 . . 105 727 12 PHE H H 8.078 . . 106 727 12 PHE HA H 4.441 . . 107 727 12 PHE HB2 H 3.001 . . 108 727 12 PHE HB3 H 3.087 . . 109 727 12 PHE CA C 59.087 . . 110 727 12 PHE CB C 39.567 . . 111 727 12 PHE N N 47.07 . . 112 728 13 ALA H H 8.05 . . 113 728 13 ALA HA H 4.115 . . 114 728 13 ALA HB H 1.212 . . 115 728 13 ALA CA C 53.757 . . 116 728 13 ALA CB C 19.22 . . 117 728 13 ALA N N 57.03 . . 118 729 14 LYS H H 7.932 . . 119 729 14 LYS HA H 4.033 . . 120 729 14 LYS HB2 H 1.607 . . 121 729 14 LYS HG2 H 1.504 . . 122 729 14 LYS HG3 H 1.46 . . 123 729 14 LYS HD2 H 3.022 . . 124 729 14 LYS CA C 57.773 . . 125 729 14 LYS CB C 32.89 . . 126 729 14 LYS CG C 26.81 . . 127 729 14 LYS CD C 43.08 . . 128 729 14 LYS N N 45.312 . . 129 730 15 PHE H H 8.007 . . 130 730 15 PHE HA H 4.445 . . 131 730 15 PHE HB2 H 3.004 . . 132 730 15 PHE HB3 H 3.086 . . 133 730 15 PHE CA C 59.356 . . 134 730 15 PHE CB C 39.385 . . 135 730 15 PHE N N 47.72 . . 136 731 16 GLU H H 8.208 . . 137 731 16 GLU HA H 4.029 . . 138 731 16 GLU HB2 H 1.962 . . 139 731 16 GLU HG2 H 2.168 . . 140 731 16 GLU HG3 H 2.252 . . 141 731 16 GLU CA C 58.385 . . 142 731 16 GLU CB C 30.15 . . 143 731 16 GLU CG C 36.14 . . 144 731 16 GLU N N 49.242 . . 145 732 17 GLU H H 8.202 . . 146 732 17 GLU HA H 4.029 . . 147 732 17 GLU HB2 H 1.962 . . 148 732 17 GLU HG2 H 2.168 . . 149 732 17 GLU HG3 H 2.252 . . 150 732 17 GLU CA C 58.404 . . 151 732 17 GLU CB C 30.151 . . 152 732 17 GLU CG C 36.14 . . 153 732 17 GLU N N 48.464 . . 154 733 18 GLU H H 8.163 . . 155 733 18 GLU HA H 4.027 . . 156 733 18 GLU HB2 H 1.962 . . 157 733 18 GLU HG2 H 2.172 . . 158 733 18 GLU HG3 H 2.251 . . 159 733 18 GLU CA C 58.144 . . 160 733 18 GLU CB C 30.346 . . 161 733 18 GLU CG C 36.16 . . 162 733 18 GLU N N 49.961 . . 163 734 19 ARG H H 8.039 . . 164 734 19 ARG HA H 4.033 . . 165 734 19 ARG HB2 H 1.67 . . 166 734 19 ARG HB3 H 1.718 . . 167 734 19 ARG HG2 H 1.467 . . 168 734 19 ARG HG3 H 1.507 . . 169 734 19 ARG HD2 H 3.022 . . 170 734 19 ARG HE H 7.155 . . 171 734 19 ARG CA C 57.776 . . 172 734 19 ARG CB C 30.573 . . 173 734 19 ARG CG C 26.81 . . 174 734 19 ARG CD C 43.08 . . 175 734 19 ARG N N 47.851 . . 176 735 20 ALA H H 7.918 . . 177 735 20 ALA HA H 4.13 . . 178 735 20 ALA HB H 1.354 . . 179 735 20 ALA CA C 53.721 . . 180 735 20 ALA CB C 19.079 . . 181 735 20 ALA N N 53.952 . . 182 736 21 ARG H H 7.856 . . 183 736 21 ARG HA H 4.035 . . 184 736 21 ARG HB2 H 1.666 . . 185 736 21 ARG HB3 H 1.725 . . 186 736 21 ARG HG2 H 1.507 . . 187 736 21 ARG HD2 H 3.023 . . 188 736 21 ARG CA C 57.424 . . 189 736 21 ARG CB C 30.816 . . 190 736 21 ARG CG C 28.59 . . 191 736 21 ARG CD C 43.08 . . 192 736 21 ARG N N 43.354 . . 193 737 22 ALA H H 7.907 . . 194 737 22 ALA HA H 4.115 . . 195 737 22 ALA HB H 1.212 . . 196 737 22 ALA CA C 53.608 . . 197 737 22 ALA CB C 19.111 . . 198 737 22 ALA N N 55.489 . . 199 738 23 LYS H H 7.856 . . 200 738 23 LYS HA H 4.075 . . 201 738 23 LYS HB2 H 1.651 . . 202 738 23 LYS HD2 H 3.023 . . 203 738 23 LYS CA C 57.444 . . 204 738 23 LYS CB C 33.061 . . 205 738 23 LYS CD C 43.08 . . 206 738 23 LYS N N 43.354 . . 207 739 24 TRP H H 7.788 . . 208 739 24 TRP HA H 4.659 . . 209 739 24 TRP HB2 H 3.056 . . 210 739 24 TRP HB3 H 2.923 . . 211 739 24 TRP HD1 H 7.424 . . 212 739 24 TRP HE1 H 7.125 . . 213 739 24 TRP CA C 57.505 . . 214 739 24 TRP CB C 39.183 . . 215 739 24 TRP N N 47.2 . . 216 740 25 ASP H H 8.122 . . 217 740 25 ASP HA H 4.528 . . 218 740 25 ASP HB2 H 2.453 . . 219 740 25 ASP HB3 H 2.532 . . 220 740 25 ASP CA C 54.953 . . 221 740 25 ASP CB C 41.346 . . 222 740 25 ASP N N 50.848 . . 223 741 26 THR H H 7.908 . . 224 741 26 THR HA H 4.101 . . 225 741 26 THR HB H 4.182 . . 226 741 26 THR HG2 H 1.086 . . 227 741 26 THR CA C 63.014 . . 228 741 26 THR CB C 69.883 . . 229 741 26 THR CG2 C 21.36 . . 230 741 26 THR N N 29.61 . . 231 742 27 ALA H H 8.071 . . 232 742 27 ALA HA H 4.151 . . 233 742 27 ALA HB H 1.29 . . 234 742 27 ALA CA C 53.65 . . 235 742 27 ALA CB C 19.272 . . 236 742 27 ALA N N 58.822 . . 237 743 28 ASN H H 8.02 . . 238 743 28 ASN HA H 4.532 . . 239 743 28 ASN HB2 H 2.529 . . 240 743 28 ASN HB3 H 2.456 . . 241 743 28 ASN CA C 53.604 . . 242 743 28 ASN CB C 39.326 . . 243 743 28 ASN N N 35.104 . . 244 744 29 ASN H H 8.003 . . 245 744 29 ASN HA H 4.673 . . 246 744 29 ASN HB2 H 2.734 . . 247 744 29 ASN HB3 H 2.673 . . 248 744 29 ASN HD21 H 6.769 . . 249 744 29 ASN CA C 51.738 . . 250 744 29 ASN CB C 39.356 . . 251 744 29 ASN N N 45.763 . . 252 745 30 PRO CA C 64.203 . . 253 745 30 PRO CB C 32.416 . . 254 746 31 LEU H H 8.003 . . 255 746 31 LEU HA H 4.127 . . 256 746 31 LEU HB2 H 1.409 . . 257 746 31 LEU HG H 1.409 . . 258 746 31 LEU HD1 H 0.719 . . 259 746 31 LEU HD2 H 0.792 . . 260 746 31 LEU CA C 55.771 . . 261 746 31 LEU CB C 42.349 . . 262 746 31 LEU CG C 26.71 . . 263 746 31 LEU CD1 C 22.96 . . 264 746 31 LEU CD2 C 24.38 . . 265 746 31 LEU N N 45.763 . . 266 747 32 TYR H H 7.714 . . 267 747 32 TYR HA H 4.443 . . 268 747 32 TYR HB2 H 2.98 . . 269 747 32 TYR HB3 H 2.83 . . 270 747 32 TYR HD2 H 7.725 . . 271 747 32 TYR CA C 57.991 . . 272 747 32 TYR CB C 38.92 . . 273 747 32 TYR N N 45.304 . . 274 748 33 LYS H H 7.834 . . 275 748 33 LYS HA H 4.237 . . 276 748 33 LYS HB2 H 1.696 . . 277 748 33 LYS HG2 H 1.581 . . 278 748 33 LYS HD2 H 1.76 . . 279 748 33 LYS HE2 H 3.109 . . 280 748 33 LYS CA C 56.815 . . 281 748 33 LYS CB C 33.658 . . 282 748 33 LYS CG C 26.83 . . 283 748 33 LYS CD C 30.55 . . 284 748 33 LYS CE C 43 . . 285 748 33 LYS N N 54.753 . . 286 749 34 GLU H H 8.218 . . 287 749 34 GLU HA H 4.135 . . 288 749 34 GLU HB2 H 1.833 . . 289 749 34 GLU HB3 H 1.57 . . 290 749 34 GLU HG2 H 2.21 . . 291 749 34 GLU CA C 57.058 . . 292 749 34 GLU CB C 30.47 . . 293 749 34 GLU CG C 35.9 . . 294 749 34 GLU N N 51.605 . . 295 750 35 ALA H H 8.278 . . 296 750 35 ALA HA H 4.134 . . 297 750 35 ALA HB H 1.352 . . 298 750 35 ALA CA C 53.269 . . 299 750 35 ALA CB C 19.443 . . 300 750 35 ALA N N 60.484 . . 301 751 36 THR H H 8.023 . . 302 751 36 THR HA H 4.248 . . 303 751 36 THR HB H 4.026 . . 304 751 36 THR HG2 H 1.05 . . 305 751 36 THR CA C 62.495 . . 306 751 36 THR CB C 70.201 . . 307 751 36 THR CG2 C 20.91 . . 308 751 36 THR N N 26.103 . . 309 752 37 SER H H 8.196 . . 310 752 37 SER HA H 4.344 . . 311 752 37 SER HB2 H 3.726 . . 312 752 37 SER CA C 58.965 . . 313 752 37 SER CB C 64.284 . . 314 752 37 SER N N 40.286 . . 315 753 38 THR H H 8.015 . . 316 753 38 THR HA H 4.284 . . 317 753 38 THR HB H 4.151 . . 318 753 38 THR HG2 H 1.116 . . 319 753 38 THR CA C 62.604 . . 320 753 38 THR CB C 70.084 . . 321 753 38 THR CG2 C 21.07 . . 322 753 38 THR N N 34.069 . . 323 754 39 PHE H H 8.117 . . 324 754 39 PHE HA H 4.67 . . 325 754 39 PHE HB2 H 3.059 . . 326 754 39 PHE HB3 H 2.923 . . 327 754 39 PHE HD1 H 7.786 . . 328 754 39 PHE CA C 58.146 . . 329 754 39 PHE CB C 39.844 . . 330 754 39 PHE N N 51.966 . . 331 755 40 THR H H 7.945 . . 332 755 40 THR HA H 4.284 . . 333 755 40 THR HB H 4.15 . . 334 755 40 THR HG2 H 1.117 . . 335 755 40 THR CA C 62.262 . . 336 755 40 THR CB C 70.201 . . 337 755 40 THR CG2 C 21.07 . . 338 755 40 THR N N 33.926 . . 339 756 41 ASN H H 8.274 . . 340 756 41 ASN HB2 H 2.653 . . 341 756 41 ASN HB3 H 2.9 . . 342 756 41 ASN CA C 53.742 . . 343 756 41 ASN CB C 39.067 . . 344 756 41 ASN N N 49.586 . . 345 757 42 ILE H H 8 . . 346 757 42 ILE HA H 4.151 . . 347 757 42 ILE HB H 1.759 . . 348 757 42 ILE HG2 H 1.334 . . 349 757 42 ILE HG2 H 1.054 . . 350 757 42 ILE HG2 H 1.334 . . 351 757 42 ILE HD1 H 0.752 . . 352 757 42 ILE CA C 61.076 . . 353 757 42 ILE CB C 38.65 . . 354 757 42 ILE CG2 C 26.99 . . 355 757 42 ILE CD1 C 12.584 . . 356 757 42 ILE N N 49.442 . . 357 758 43 THR H H 8.069 . . 358 758 43 THR HA H 4.101 . . 359 758 43 THR HB H 4.179 . . 360 758 43 THR HG2 H 1.086 . . 361 758 43 THR CA C 62.58 . . 362 758 43 THR CB C 70.284 . . 363 758 43 THR CG2 C 21.36 . . 364 758 43 THR N N 41.131 . . 365 759 44 TYR H H 8.18 . . 366 759 44 TYR HA H 4.447 . . 367 759 44 TYR HB2 H 3.087 . . 368 759 44 TYR HB3 H 2.995 . . 369 759 44 TYR HD1 H 7.019 . . 370 759 44 TYR CA C 58.56 . . 371 759 44 TYR CB C 39.054 . . 372 759 44 TYR N N 56.189 . . 373 760 45 ARG H H 8.182 . . 374 760 45 ARG HA H 4.158 . . 375 760 45 ARG HB2 H 1.676 . . 376 760 45 ARG HG2 H 1.626 . . 377 760 45 ARG HG3 H 1.564 . . 378 760 45 ARG HD2 H 2.874 . . 379 760 45 ARG CA C 56.1 . . 380 760 45 ARG CB C 30.552 . . 381 760 45 ARG CG C 28.7 . . 382 760 45 ARG CD C 41.71 . . 383 760 45 ARG N N 58.137 . . 384 761 46 GLY H H 7.635 . . 385 761 46 GLY HA2 H 4.192 . . 386 761 46 GLY HA3 H 3.835 . . 387 761 46 GLY CA C 45.657 . . 388 761 46 GLY N N 17.2 . . 389 762 47 THR H H 7.597 . . 390 762 47 THR HA H 4.106 . . 391 762 47 THR HB H 4.181 . . 392 762 47 THR HG2 H 1.072 . . 393 762 47 THR CA C 63.461 . . 394 762 47 THR CB C 71.083 . . 395 762 47 THR CG2 C 21.36 . . 396 762 47 THR N N 41 . . stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $H _Mol_system_component_name entity_2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 988 1 TRP HA H 4.7 . . 2 988 1 TRP HB2 H 3.313 . . 3 988 1 TRP HD1 H 7.245 . . 4 988 1 TRP HE1 H 10.208 . . 5 988 1 TRP HE3 H 7.551 . . 6 988 1 TRP HZ2 H 7.481 . . 7 988 1 TRP HZ3 H 7.17 . . 8 988 1 TRP HH2 H 7.112 . . 9 989 2 LYS H H 8.21 . . 10 989 2 LYS HA H 4.316 . . 11 989 2 LYS HB2 H 1.72 . . 12 989 2 LYS HG2 H 1.264 . . 13 989 2 LYS HD2 H 1.576 . . 14 989 2 LYS HE2 H 2.86 . . 15 990 3 VAL H H 8.25 . . 16 990 3 VAL HA H 3.97 . . 17 990 3 VAL HB H 2 . . 18 990 3 VAL HG1 H 0.98 . . 19 990 3 VAL HG2 H 0.92 . . 20 991 4 GLY H H 8.47 . . 21 991 4 GLY HA2 H 3.78 . . 22 991 4 GLY HA3 H 3.94 . . 23 992 5 PHE H H 8.03 . . 24 992 5 PHE HA H 4.51 . . 25 992 5 PHE HB2 H 2.93 . . 26 992 5 PHE HD1 H 7.045 . . 27 992 5 PHE HE1 H 7.252 . . 28 992 5 PHE HZ H 7.18 . . 29 993 6 PHE H H 8.1 . . 30 993 6 PHE HA H 4.519 . . 31 993 6 PHE HB2 H 2.901 . . 32 993 6 PHE HB3 H 3.048 . . 33 993 6 PHE HD1 H 7.173 . . 34 993 6 PHE HE1 H 7.273 . . 35 993 6 PHE HZ H 7.046 . . 36 994 7 LYS H H 8.11 . . 37 994 7 LYS HA H 4.173 . . 38 994 7 LYS HB2 H 1.741 . . 39 994 7 LYS HG2 H 1.32 . . 40 994 7 LYS HD2 H 1.638 . . 41 994 7 LYS HE2 H 2.72 . . 42 995 8 ARG H H 8.074 . . 43 995 8 ARG HA H 4.49 . . 44 995 8 ARG HB2 H 1.817 . . 45 995 8 ARG HG2 H 1.59 . . 46 995 8 ARG HD2 H 3.128 . . 47 996 9 ASN H H 8.073 . . 48 996 9 ASN HA H 4.662 . . 49 996 9 ASN HB2 H 2.799 . . 50 996 9 ASN HB3 H 2.726 . . 51 996 9 ASN HD21 H 7.588 . . 52 996 9 ASN HD22 H 6.885 . . 53 997 10 ARG H H 8.142 . . 54 997 10 ARG HA H 4.682 . . 55 997 10 ARG HB2 H 1.838 . . 56 997 10 ARG HG2 H 1.664 . . 57 998 11 PRO HA H 4.37 . . 58 998 11 PRO HB2 H 2.27 . . 59 998 11 PRO HB3 H 2.25 . . 60 998 11 PRO HG2 H 1.99 . . 61 998 11 PRO HG3 H 1.96 . . 62 998 11 PRO HD2 H 3.62 . . 63 998 11 PRO HD3 H 3.55 . . 64 999 12 PRO HA H 4.35 . . 65 999 12 PRO HB2 H 2.26 . . 66 999 12 PRO HG2 H 2 . . 67 999 12 PRO HD2 H 3.73 . . 68 999 12 PRO HD3 H 3.616 . . 69 1000 13 LEU H H 8.24 . . 70 1000 13 LEU HA H 4.31 . . 71 1000 13 LEU HB2 H 1.65 . . 72 1000 13 LEU HG H 1.6 . . 73 1000 13 LEU HD1 H 0.87 . . 74 1000 13 LEU HD2 H 0.91 . . 75 1001 14 GLU H H 8.26 . . 76 1001 14 GLU HA H 4.27 . . 77 1001 14 GLU HB2 H 1.91 . . 78 1001 14 GLU HB3 H 2.05 . . 79 1001 14 GLU HG2 H 2.26 . . 80 1002 15 GLU H H 8.36 . . 81 1002 15 GLU HA H 4.27 . . 82 1002 15 GLU HB2 H 1.91 . . 83 1002 15 GLU HB3 H 2.05 . . 84 1002 15 GLU HG2 H 2.26 . . 85 1003 16 ASP H H 8.36 . . 86 1003 16 ASP HA H 4.61 . . 87 1003 16 ASP HB2 H 2.65 . . 88 1004 17 ASP H H 8.26 . . 89 1004 17 ASP HA H 4.58 . . 90 1004 17 ASP HB2 H 2.6 . . 91 1004 17 ASP HB3 H 2.7 . . 92 1005 18 GLU H H 8.41 . . 93 1005 18 GLU HA H 4.27 . . 94 1005 18 GLU HB2 H 1.91 . . 95 1005 18 GLU HB3 H 2.05 . . 96 1005 18 GLU HG2 H 2.26 . . 97 1006 19 GLU H H 8.32 . . 98 1006 19 GLU HA H 4.27 . . 99 1006 19 GLU HB2 H 1.91 . . 100 1006 19 GLU HB3 H 2.05 . . 101 1006 19 GLU HG2 H 2.229 . . 102 1007 20 GLY H H 8.3 . . 103 1007 20 GLY HA2 H 3.9 . . 104 1008 21 GLU H H 7.908 . . 105 1008 21 GLU HA H 4.12 . . 106 1008 21 GLU HB2 H 1.867 . . 107 1008 21 GLU HB3 H 2.02 . . 108 1008 21 GLU HG2 H 2.19 . . stop_ save_ save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $H _Mol_system_component_name entity_1 _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 2236 1 GLY H H 8.465 . . 2 2236 1 GLY HA2 H 3.923 . . 3 2236 1 GLY HA3 H 4.019 . . 4 2236 1 GLY CA C 45.441 . . 5 2236 1 GLY N N 23.653 . . 6 2237 2 GLY H H 8.286 . . 7 2237 2 GLY HA2 H 4.296 . . 8 2237 2 GLY HA3 H 3.86 . . 9 2237 2 GLY CA C 45.553 . . 10 2237 2 GLY N N 22.005 . . 11 2238 3 ALA H H 8.768 . . 12 2238 3 ALA HA H 3.79 . . 13 2238 3 ALA HB H 1.587 . . 14 2238 3 ALA CA C 55.232 . . 15 2238 3 ALA CB C 19.576 . . 16 2238 3 ALA N N 50.288 . . 17 2239 4 HIS H H 8.131 . . 18 2239 4 HIS HA H 4.371 . . 19 2239 4 HIS HB2 H 3.14 . . 20 2239 4 HIS HB3 H 3.069 . . 21 2239 4 HIS CA C 57.707 . . 22 2239 4 HIS CB C 29.298 . . 23 2239 4 HIS N N 29.468 . . 24 2240 5 LYS H H 7.581 . . 25 2240 5 LYS HA H 4.19 . . 26 2240 5 LYS HB2 H 1.779 . . 27 2240 5 LYS HB3 H 1.668 . . 28 2240 5 LYS HG2 H 1.276 . . 29 2240 5 LYS HD2 H 1.552 . . 30 2240 5 LYS HD3 H 1.564 . . 31 2240 5 LYS HE2 H 2.879 . . 32 2240 5 LYS CA C 55.5 . . 33 2240 5 LYS CB C 32.834 . . 34 2240 5 LYS CG C 24.74 . . 35 2240 5 LYS CD C 28.244 . . 36 2240 5 LYS CE C 41.868 . . 37 2240 5 LYS N N 41.596 . . 38 2241 6 VAL H H 7.48 . . 39 2241 6 VAL HA H 4.605 . . 40 2241 6 VAL HB H 1.994 . . 41 2241 6 VAL HG1 H 0.859 . . 42 2241 6 VAL HG1 H 0.746 . . 43 2241 6 VAL HG1 H 0.859 . . 44 2241 6 VAL HG2 H 0.746 . . 45 2241 6 VAL HG2 H 0.859 . . 46 2241 6 VAL CA C 62.893 . . 47 2241 6 VAL CB C 31.798 . . 48 2241 6 VAL CG1 C 21.04 . . 49 2241 6 VAL CG2 C 21.04 . . 50 2241 6 VAL N N 51.951 . . 51 2242 7 ARG H H 7.841 . . 52 2242 7 ARG HA H 5.074 . . 53 2242 7 ARG HB2 H 1.837 . . 54 2242 7 ARG HB3 H 1.917 . . 55 2242 7 ARG HG2 H 1.637 . . 56 2242 7 ARG HG3 H 1.561 . . 57 2242 7 ARG HD2 H 3.101 . . 58 2242 7 ARG HD3 H 3.156 . . 59 2242 7 ARG CA C 54.095 . . 60 2242 7 ARG CB C 34.533 . . 61 2242 7 ARG CG C 26.979 . . 62 2242 7 ARG CD C 42.841 . . 63 2242 7 ARG N N 51.897 . . 64 2243 8 ALA H H 8.83 . . 65 2243 8 ALA HA H 5.672 . . 66 2243 8 ALA HB H 1.273 . . 67 2243 8 ALA CA C 50.672 . . 68 2243 8 ALA CB C 23.884 . . 69 2243 8 ALA N N 54.002 . . 70 2244 9 GLY H H 8.631 . . 71 2244 9 GLY HA2 H 4.703 . . 72 2244 9 GLY HA3 H 4.163 . . 73 2244 9 GLY CA C 46.205 . . 74 2244 9 GLY N N 18.651 . . 75 2245 10 GLY H H 8.761 . . 76 2245 10 GLY HA2 H 4.884 . . 77 2245 10 GLY HA3 H 3.796 . . 78 2245 10 GLY CA C 45.026 . . 79 2245 10 GLY N N 30.385 . . 80 2246 11 PRO HA H 4.36 . . 81 2246 11 PRO HB2 H 2.241 . . 82 2246 11 PRO HB3 H 2.08 . . 83 2246 11 PRO HG2 H 2.36 . . 84 2246 11 PRO HG3 H 2.408 . . 85 2246 11 PRO HD2 H 3.813 . . 86 2246 11 PRO HD3 H 3.854 . . 87 2246 11 PRO CA C 65.907 . . 88 2246 11 PRO CB C 31.709 . . 89 2246 11 PRO CG C 27.757 . . 90 2246 11 PRO CD C 49.556 . . 91 2247 12 GLY H H 9.156 . . 92 2247 12 GLY HA2 H 4.285 . . 93 2247 12 GLY HA3 H 3.295 . . 94 2247 12 GLY CA C 46.418 . . 95 2247 12 GLY N N 12.013 . . 96 2248 13 LEU H H 7.527 . . 97 2248 13 LEU HA H 4.17 . . 98 2248 13 LEU HB2 H 1.386 . . 99 2248 13 LEU HB3 H 1.227 . . 100 2248 13 LEU HG H 1.503 . . 101 2248 13 LEU HD1 H 0.986 . . 102 2248 13 LEU HD2 H 0.837 . . 103 2248 13 LEU CA C 54.37 . . 104 2248 13 LEU CB C 40.453 . . 105 2248 13 LEU CG C 28.35 . . 106 2248 13 LEU CD1 C 24.31 . . 107 2248 13 LEU CD2 C 24.2 . . 108 2248 13 LEU N N 37.834 . . 109 2249 14 GLU H H 7.92 . . 110 2249 14 GLU HA H 4.47 . . 111 2249 14 GLU HB2 H 2.071 . . 112 2249 14 GLU HG2 H 2.178 . . 113 2249 14 GLU HG3 H 2.337 . . 114 2249 14 GLU CA C 57.432 . . 115 2249 14 GLU CB C 32.166 . . 116 2249 14 GLU CG C 35.55 . . 117 2249 14 GLU N N 44.262 . . 118 2250 15 ARG H H 8.236 . . 119 2250 15 ARG HA H 4.577 . . 120 2250 15 ARG HB2 H 2 . . 121 2250 15 ARG HB3 H 1.868 . . 122 2250 15 ARG HG2 H 1.576 . . 123 2250 15 ARG HG3 H 1.462 . . 124 2250 15 ARG HD2 H 3.147 . . 125 2250 15 ARG CA C 56.348 . . 126 2250 15 ARG CB C 31.77 . . 127 2250 15 ARG CG C 25.88 . . 128 2250 15 ARG CD C 43.12 . . 129 2250 15 ARG N N 35.909 . . 130 2251 16 ALA H H 7.968 . . 131 2251 16 ALA HA H 4.637 . . 132 2251 16 ALA HB H 1.358 . . 133 2251 16 ALA CA C 51.279 . . 134 2251 16 ALA CB C 23.175 . . 135 2251 16 ALA N N 47.79 . . 136 2252 17 GLU H H 9.233 . . 137 2252 17 GLU HA H 4.83 . . 138 2252 17 GLU HB2 H 1.721 . . 139 2252 17 GLU HB3 H 1.636 . . 140 2252 17 GLU HG2 H 2.054 . . 141 2252 17 GLU CA C 54.555 . . 142 2252 17 GLU CB C 33.242 . . 143 2252 17 GLU CG C 36.62 . . 144 2252 17 GLU N N 47.297 . . 145 2253 18 ALA H H 8.398 . . 146 2253 18 ALA HA H 3.645 . . 147 2253 18 ALA HB H 0.987 . . 148 2253 18 ALA CA C 53.394 . . 149 2253 18 ALA CB C 17.564 . . 150 2253 18 ALA N N 60.103 . . 151 2254 19 GLY H H 8.705 . . 152 2254 19 GLY HA2 H 4.147 . . 153 2254 19 GLY HA3 H 3.359 . . 154 2254 19 GLY CA C 45.618 . . 155 2254 19 GLY N N 22.887 . . 156 2255 20 VAL H H 7.691 . . 157 2255 20 VAL HA H 4.476 . . 158 2255 20 VAL HB H 1.974 . . 159 2255 20 VAL HG1 H 0.888 . . 160 2255 20 VAL HG1 H 0.74 . . 161 2255 20 VAL HG1 H 0.888 . . 162 2255 20 VAL HG2 H 0.74 . . 163 2255 20 VAL HG2 H 0.888 . . 164 2255 20 VAL CA C 59.23 . . 165 2255 20 VAL CB C 34.473 . . 166 2255 20 VAL CG1 C 20.07 . . 167 2255 20 VAL CG2 C 20.07 . . 168 2255 20 VAL N N 51.022 . . 169 2256 21 PRO HA H 4.481 . . 170 2256 21 PRO HB2 H 1.905 . . 171 2256 21 PRO HB3 H 2.268 . . 172 2256 21 PRO HG2 H 2.03 . . 173 2256 21 PRO HD2 H 3.781 . . 174 2256 21 PRO CA C 64.201 . . 175 2256 21 PRO CB C 31.462 . . 176 2256 21 PRO CG C 27.41 . . 177 2256 21 PRO CD C 51.07 . . 178 2257 22 ALA H H 8.966 . . 179 2257 22 ALA HA H 4.551 . . 180 2257 22 ALA HB H 0.652 . . 181 2257 22 ALA CA C 50.352 . . 182 2257 22 ALA CB C 20.357 . . 183 2257 22 ALA N N 67.068 . . 184 2258 23 GLU H H 8.317 . . 185 2258 23 GLU HA H 5.482 . . 186 2258 23 GLU HB2 H 1.874 . . 187 2258 23 GLU HB3 H 1.924 . . 188 2258 23 GLU HG2 H 1.986 . . 189 2258 23 GLU CA C 55.184 . . 190 2258 23 GLU CB C 33.923 . . 191 2258 23 GLU CG C 36.224 . . 192 2258 23 GLU N N 42.469 . . 193 2259 24 PHE H H 8.829 . . 194 2259 24 PHE HA H 5.004 . . 195 2259 24 PHE HB2 H 2.764 . . 196 2259 24 PHE HB3 H 2.566 . . 197 2259 24 PHE HD1 H 6.619 . . 198 2259 24 PHE HD2 H 6.767 . . 199 2259 24 PHE CA C 57.328 . . 200 2259 24 PHE CB C 40.235 . . 201 2259 24 PHE N N 36.475 . . 202 2260 25 SER H H 8.793 . . 203 2260 25 SER HA H 5.392 . . 204 2260 25 SER HB2 H 3.292 . . 205 2260 25 SER HB3 H 2.895 . . 206 2260 25 SER CA C 57.348 . . 207 2260 25 SER CB C 66.334 . . 208 2260 25 SER N N 35.004 . . 209 2261 26 ILE H H 8.484 . . 210 2261 26 ILE HA H 4.758 . . 211 2261 26 ILE HB H 1.45 . . 212 2261 26 ILE HG12 H 1.476 . . 213 2261 26 ILE HG13 H 0.788 . . 214 2261 26 ILE HG2 H 1.476 . . 215 2261 26 ILE HG2 H 0.788 . . 216 2261 26 ILE HD1 H 0.788 . . 217 2261 26 ILE CA C 60.423 . . 218 2261 26 ILE CB C 41.687 . . 219 2261 26 ILE CG1 C 27.81 . . 220 2261 26 ILE CG2 C 27.81 . . 221 2261 26 ILE CD1 C 14.11 . . 222 2261 26 ILE N N 45.263 . . 223 2262 27 TRP H H 9.53 . . 224 2262 27 TRP HA H 4.98 . . 225 2262 27 TRP HB2 H 3.287 . . 226 2262 27 TRP HB3 H 3.147 . . 227 2262 27 TRP CA C 57.91 . . 228 2262 27 TRP CB C 30.274 . . 229 2262 27 TRP N N 61.296 . . 230 2263 28 THR H H 8.551 . . 231 2263 28 THR HA H 4.39 . . 232 2263 28 THR HB H 3.818 . . 233 2263 28 THR HG2 H 0.894 . . 234 2263 28 THR CA C 61.802 . . 235 2263 28 THR CB C 69.467 . . 236 2263 28 THR CG2 C 20.09 . . 237 2263 28 THR N N 34.389 . . 238 2264 29 ARG H H 7.988 . . 239 2264 29 ARG HA H 4.7 . . 240 2264 29 ARG HB2 H 1.922 . . 241 2264 29 ARG HG2 H 0.793 . . 242 2264 29 ARG HD2 H 3.761 . . 243 2264 29 ARG HD3 H 3.976 . . 244 2264 29 ARG CA C 58.805 . . 245 2264 29 ARG CB C 32.428 . . 246 2264 29 ARG CG C 26.687 . . 247 2264 29 ARG CD C 49.654 . . 248 2264 29 ARG N N 49.337 . . 249 2265 30 GLU H H 8.312 . . 250 2265 30 GLU HA H 4.22 . . 251 2265 30 GLU HB2 H 1.835 . . 252 2265 30 GLU HG2 H 2.156 . . 253 2265 30 GLU CA C 57.188 . . 254 2265 30 GLU CB C 29.654 . . 255 2265 30 GLU CG C 36.13 . . 256 2265 30 GLU N N 37.59 . . 257 2266 31 ALA H H 7.615 . . 258 2266 31 ALA HA H 3.943 . . 259 2266 31 ALA HB H 0.708 . . 260 2266 31 ALA CA C 53.226 . . 261 2266 31 ALA CB C 20.983 . . 262 2266 31 ALA N N 47.762 . . 263 2267 32 GLY H H 7.657 . . 264 2267 32 GLY HA2 H 4.15 . . 265 2267 32 GLY HA3 H 3.72 . . 266 2267 32 GLY CA C 44.452 . . 267 2267 32 GLY N N 17.464 . . 268 2268 33 ALA H H 8.229 . . 269 2268 33 ALA HA H 4.302 . . 270 2268 33 ALA HB H 1.3 . . 271 2268 33 ALA CA C 52.675 . . 272 2268 33 ALA CB C 19.477 . . 273 2268 33 ALA N N 50.066 . . 274 2269 34 GLY H H 8.09 . . 275 2269 34 GLY HA2 H 3.699 . . 276 2269 34 GLY HA3 H 3.564 . . 277 2269 34 GLY CA C 45.956 . . 278 2269 34 GLY N N 24.733 . . 279 2270 35 GLY H H 7.421 . . 280 2270 35 GLY HA2 H 4.175 . . 281 2270 35 GLY HA3 H 3.381 . . 282 2270 35 GLY CA C 44.614 . . 283 2270 35 GLY N N 17.788 . . 284 2271 36 LEU H H 8.22 . . 285 2271 36 LEU HA H 5.231 . . 286 2271 36 LEU HB2 H 1.65 . . 287 2271 36 LEU HB3 H 1.35 . . 288 2271 36 LEU HG H 1.65 . . 289 2271 36 LEU HD1 H 0.93 . . 290 2271 36 LEU CA C 53.82 . . 291 2271 36 LEU CB C 45.594 . . 292 2271 36 LEU CG C 26.94 . . 293 2271 36 LEU CD1 C 25.14 . . 294 2271 36 LEU N N 53.762 . . 295 2272 37 ALA H H 8.855 . . 296 2272 37 ALA HA H 4.613 . . 297 2272 37 ALA HB H 1.163 . . 298 2272 37 ALA CA C 51.835 . . 299 2272 37 ALA CB C 22.24 . . 300 2272 37 ALA N N 56.202 . . 301 2273 38 ILE H H 8.553 . . 302 2273 38 ILE HA H 5.217 . . 303 2273 38 ILE HB H 1.853 . . 304 2273 38 ILE HG12 H 1.418 . . 305 2273 38 ILE HG13 H 1.418 . . 306 2273 38 ILE HG2 H 1.538 . . 307 2273 38 ILE HD1 H 0.892 . . 308 2273 38 ILE CA C 59.378 . . 309 2273 38 ILE CB C 40.775 . . 310 2273 38 ILE CG1 C 29.88 . . 311 2273 38 ILE CG2 C 29.6 . . 312 2273 38 ILE CD1 C 25.14 . . 313 2273 38 ILE N N 53.385 . . 314 2274 39 ALA H H 8.672 . . 315 2274 39 ALA HA H 4.649 . . 316 2274 39 ALA HB H 1.316 . . 317 2274 39 ALA CA C 51.256 . . 318 2274 39 ALA CB C 22.583 . . 319 2274 39 ALA N N 62.569 . . 320 2275 40 VAL H H 8.528 . . 321 2275 40 VAL HA H 4.708 . . 322 2275 40 VAL HB H 1.578 . . 323 2275 40 VAL HG1 H 0.433 . . 324 2275 40 VAL HG1 H 0.287 . . 325 2275 40 VAL HG1 H 0.433 . . 326 2275 40 VAL HG2 H 0.287 . . 327 2275 40 VAL HG2 H 0.433 . . 328 2275 40 VAL CA C 61.922 . . 329 2275 40 VAL CB C 33.253 . . 330 2275 40 VAL CG1 C 20.94 . . 331 2275 40 VAL CG2 C 20.94 . . 332 2275 40 VAL N N 48.205 . . 333 2276 41 GLU H H 8.953 . . 334 2276 41 GLU HA H 4.95 . . 335 2276 41 GLU HB2 H 2.047 . . 336 2276 41 GLU HB3 H 1.858 . . 337 2276 41 GLU HG2 H 2.183 . . 338 2276 41 GLU CA C 54.802 . . 339 2276 41 GLU CB C 33.238 . . 340 2276 41 GLU CG C 35.835 . . 341 2276 41 GLU N N 58.489 . . 342 2277 42 GLY H H 8.408 . . 343 2277 42 GLY HA2 H 3.642 . . 344 2277 42 GLY HA3 H 4.711 . . 345 2277 42 GLY CA C 45.806 . . 346 2277 42 GLY N N 30.977 . . 347 2278 43 PRO HA H 4.42 . . 348 2278 43 PRO HB2 H 2.037 . . 349 2278 43 PRO HB3 H 1.864 . . 350 2278 43 PRO HG2 H 2.205 . . 351 2278 43 PRO HD2 H 3.146 . . 352 2278 43 PRO CA C 64.785 . . 353 2278 43 PRO CB C 32.478 . . 354 2278 43 PRO CG C 26.68 . . 355 2278 43 PRO CD C 43.01 . . 356 2279 44 SER H H 7.293 . . 357 2279 44 SER HA H 4.705 . . 358 2279 44 SER HB2 H 3.894 . . 359 2279 44 SER HB3 H 4.031 . . 360 2279 44 SER CA C 57.524 . . 361 2279 44 SER CB C 66.072 . . 362 2279 44 SER N N 26.467 . . 363 2280 45 LYS H H 8.537 . . 364 2280 45 LYS HA H 4.316 . . 365 2280 45 LYS HB2 H 1.806 . . 366 2280 45 LYS HG2 H 1.491 . . 367 2280 45 LYS HD2 H 1.709 . . 368 2280 45 LYS HD3 H 1.438 . . 369 2280 45 LYS HE2 H 3.007 . . 370 2280 45 LYS CA C 56.803 . . 371 2280 45 LYS CB C 33.146 . . 372 2280 45 LYS CG C 26.64 . . 373 2280 45 LYS CD C 28.8 . . 374 2280 45 LYS CE C 41.98 . . 375 2280 45 LYS N N 46.783 . . 376 2281 46 ALA H H 8.84 . . 377 2281 46 ALA HA H 4.955 . . 378 2281 46 ALA HB H 1.126 . . 379 2281 46 ALA CA C 50.891 . . 380 2281 46 ALA CB C 21.244 . . 381 2281 46 ALA N N 58.654 . . 382 2282 47 GLU H H 8.315 . . 383 2282 47 GLU HA H 4.608 . . 384 2282 47 GLU HB2 H 1.824 . . 385 2282 47 GLU HB3 H 1.877 . . 386 2282 47 GLU HG2 H 2.145 . . 387 2282 47 GLU HG3 H 2.188 . . 388 2282 47 GLU CA C 55.658 . . 389 2282 47 GLU CB C 30.695 . . 390 2282 47 GLU CG C 35.55 . . 391 2282 47 GLU N N 50.587 . . 392 2283 48 ILE H H 8.654 . . 393 2283 48 ILE HA H 4.766 . . 394 2283 48 ILE HB H 1.475 . . 395 2283 48 ILE HG12 H 0.555 . . 396 2283 48 ILE HG13 H 0.628 . . 397 2283 48 ILE HG2 H 0.628 . . 398 2283 48 ILE HG2 H 0.555 . . 399 2283 48 ILE HG2 H 0.628 . . 400 2283 48 ILE HD1 H 0.782 . . 401 2283 48 ILE CA C 61.255 . . 402 2283 48 ILE CB C 41.067 . . 403 2283 48 ILE CG1 C 27.81 . . 404 2283 48 ILE CG2 C 27.81 . . 405 2283 48 ILE CD1 C 14.11 . . 406 2283 48 ILE N N 57.634 . . 407 2284 49 SER H H 9.265 . . 408 2284 49 SER HA H 4.712 . . 409 2284 49 SER HB2 H 4.031 . . 410 2284 49 SER HB3 H 3.894 . . 411 2284 49 SER CA C 56.913 . . 412 2284 49 SER CB C 65.517 . . 413 2284 49 SER N N 52.195 . . 414 2285 50 PHE H H 8.432 . . 415 2285 50 PHE HA H 5.26 . . 416 2285 50 PHE HB2 H 2.721 . . 417 2285 50 PHE HB3 H 2.887 . . 418 2285 50 PHE HE2 H 6.876 . . 419 2285 50 PHE CA C 56.689 . . 420 2285 50 PHE CB C 42.876 . . 421 2285 50 PHE N N 49.498 . . 422 2286 51 GLU H H 8.711 . . 423 2286 51 GLU HA H 4.61 . . 424 2286 51 GLU HB2 H 2.046 . . 425 2286 51 GLU HB3 H 2.189 . . 426 2286 51 GLU HG2 H 2.046 . . 427 2286 51 GLU HG3 H 2.189 . . 428 2286 51 GLU CA C 54.714 . . 429 2286 51 GLU CB C 33.143 . . 430 2286 51 GLU CG C 35.55 . . 431 2286 51 GLU N N 52.226 . . 432 2287 52 ASP H H 8.742 . . 433 2287 52 ASP HA H 4.513 . . 434 2287 52 ASP HB2 H 2.736 . . 435 2287 52 ASP HB3 H 2.543 . . 436 2287 52 ASP CA C 54.492 . . 437 2287 52 ASP CB C 41.145 . . 438 2287 52 ASP N N 58.648 . . 439 2288 53 ARG H H 8.236 . . 440 2288 53 ARG HA H 4.185 . . 441 2288 53 ARG HB2 H 1.696 . . 442 2288 53 ARG HG2 H 1.302 . . 443 2288 53 ARG HD2 H 3.417 . . 444 2288 53 ARG CA C 56.897 . . 445 2288 53 ARG CB C 30.526 . . 446 2288 53 ARG CG C 28.49 . . 447 2288 53 ARG CD C 41.82 . . 448 2288 53 ARG N N 54.619 . . 449 2289 54 LYS H H 8.365 . . 450 2289 54 LYS HA H 4.029 . . 451 2289 54 LYS HB2 H 1.898 . . 452 2289 54 LYS HB3 H 1.948 . . 453 2289 54 LYS HG2 H 1.386 . . 454 2289 54 LYS HG3 H 1.353 . . 455 2289 54 LYS HD2 H 1.638 . . 456 2289 54 LYS HD3 H 1.589 . . 457 2289 54 LYS HE2 H 2.938 . . 458 2289 54 LYS CA C 58.4 . . 459 2289 54 LYS CB C 30.286 . . 460 2289 54 LYS CG C 24.63 . . 461 2289 54 LYS CD C 28.47 . . 462 2289 54 LYS CE C 42.01 . . 463 2289 54 LYS N N 45.71 . . 464 2290 55 ASP H H 7.799 . . 465 2290 55 ASP HA H 4.636 . . 466 2290 55 ASP HB2 H 3.096 . . 467 2290 55 ASP HB3 H 2.489 . . 468 2290 55 ASP CA C 53.018 . . 469 2290 55 ASP CB C 40.782 . . 470 2290 55 ASP N N 39.765 . . 471 2291 56 GLY H H 8.347 . . 472 2291 56 GLY HA2 H 4.307 . . 473 2291 56 GLY HA3 H 4.708 . . 474 2291 56 GLY CA C 45.434 . . 475 2291 56 GLY N N 23.409 . . 476 2292 57 SER H H 8.236 . . 477 2292 57 SER HA H 4.395 . . 478 2292 57 SER HB2 H 3.776 . . 479 2292 57 SER HB3 H 3.834 . . 480 2292 57 SER CA C 57.361 . . 481 2292 57 SER CB C 66.721 . . 482 2292 57 SER N N 40.264 . . 483 2293 58 CYS H H 8.764 . . 484 2293 58 CYS HA H 4.549 . . 485 2293 58 CYS HB2 H 3.046 . . 486 2293 58 CYS CA C 57.116 . . 487 2293 58 CYS CB C 30.041 . . 488 2293 58 CYS N N 41.57 . . 489 2294 59 GLY H H 9.092 . . 490 2294 59 GLY HA2 H 4.44 . . 491 2294 59 GLY HA3 H 3.347 . . 492 2294 59 GLY CA C 45.219 . . 493 2294 59 GLY N N 32.305 . . 494 2295 60 VAL H H 8.402 . . 495 2295 60 VAL HA H 4.706 . . 496 2295 60 VAL HB H 1.88 . . 497 2295 60 VAL HG1 H 0.571 . . 498 2295 60 VAL HG1 H 0.357 . . 499 2295 60 VAL HG1 H 0.571 . . 500 2295 60 VAL HG2 H 0.357 . . 501 2295 60 VAL HG2 H 0.571 . . 502 2295 60 VAL CA C 60.463 . . 503 2295 60 VAL CB C 33.315 . . 504 2295 60 VAL CG1 C 20.01 . . 505 2295 60 VAL CG2 C 20.01 . . 506 2295 60 VAL N N 54.21 . . 507 2296 61 ALA H H 8.398 . . 508 2296 61 ALA HA H 4.607 . . 509 2296 61 ALA HB H 1.329 . . 510 2296 61 ALA CA C 50.333 . . 511 2296 61 ALA CB C 22.075 . . 512 2296 61 ALA N N 60.103 . . 513 2297 62 TYR H H 8.846 . . 514 2297 62 TYR HA H 5.88 . . 515 2297 62 TYR HB2 H 2.612 . . 516 2297 62 TYR HB3 H 2.501 . . 517 2297 62 TYR HD1 H 6.424 . . 518 2297 62 TYR CA C 54.998 . . 519 2297 62 TYR CB C 43.326 . . 520 2297 62 TYR N N 41.143 . . 521 2298 63 VAL H H 8.299 . . 522 2298 63 VAL HA H 4.286 . . 523 2298 63 VAL HB H 1.68 . . 524 2298 63 VAL HG2 H 0.613 . . 525 2298 63 VAL CA C 60.728 . . 526 2298 63 VAL CB C 35.441 . . 527 2298 63 VAL CG2 C 20.71 . . 528 2298 63 VAL N N 41.088 . . 529 2299 64 VAL H H 8.691 . . 530 2299 64 VAL HA H 4.717 . . 531 2299 64 VAL HB H 1.875 . . 532 2299 64 VAL HG1 H 0.177 . . 533 2299 64 VAL HG2 H 0.428 . . 534 2299 64 VAL CA C 58.848 . . 535 2299 64 VAL CB C 33.766 . . 536 2299 64 VAL CG1 C 18.18 . . 537 2299 64 VAL CG2 C 20.94 . . 538 2299 64 VAL N N 47.906 . . 539 2300 65 GLN H H 8.088 . . 540 2300 65 GLN HA H 4.21 . . 541 2300 65 GLN HB2 H 2.207 . . 542 2300 65 GLN HB3 H 1.835 . . 543 2300 65 GLN HG2 H 2.394 . . 544 2300 65 GLN HG3 H 1.603 . . 545 2300 65 GLN CA C 56.884 . . 546 2300 65 GLN CB C 30.408 . . 547 2300 65 GLN CG C 32.8 . . 548 2300 65 GLN N N 41.201 . . 549 2301 66 GLU H H 7.078 . . 550 2301 66 GLU HA H 4.982 . . 551 2301 66 GLU HB2 H 1.515 . . 552 2301 66 GLU HB3 H 2.008 . . 553 2301 66 GLU HG2 H 2.157 . . 554 2301 66 GLU HG3 H 2.315 . . 555 2301 66 GLU CA C 52.502 . . 556 2301 66 GLU CB C 31.757 . . 557 2301 66 GLU CG C 34.81 . . 558 2301 66 GLU N N 37.063 . . 559 2302 67 PRO HA H 4.428 . . 560 2302 67 PRO HB2 H 2.258 . . 561 2302 67 PRO HG2 H 1.979 . . 562 2302 67 PRO HD2 H 3.755 . . 563 2302 67 PRO CA C 63.085 . . 564 2302 67 PRO CB C 33.096 . . 565 2302 67 PRO CG C 27.271 . . 566 2302 67 PRO CD C 50.724 . . 567 2303 68 GLY H H 8.703 . . 568 2303 68 GLY HA2 H 4.229 . . 569 2303 68 GLY HA3 H 3.78 . . 570 2303 68 GLY CA C 44.538 . . 571 2303 68 GLY N N 19.322 . . 572 2304 69 ASP H H 8.173 . . 573 2304 69 ASP HA H 5.321 . . 574 2304 69 ASP HB2 H 2.333 . . 575 2304 69 ASP HB3 H 2.212 . . 576 2304 69 ASP CA C 54.237 . . 577 2304 69 ASP CB C 41.665 . . 578 2304 69 ASP N N 46.075 . . 579 2305 70 TYR H H 8.787 . . 580 2305 70 TYR HA H 4.953 . . 581 2305 70 TYR HB2 H 2.765 . . 582 2305 70 TYR HB3 H 2.354 . . 583 2305 70 TYR HD1 H 6.697 . . 584 2305 70 TYR HD2 H 6.835 . . 585 2305 70 TYR HE2 H 7.051 . . 586 2305 70 TYR CA C 56.623 . . 587 2305 70 TYR CB C 40.516 . . 588 2305 70 TYR N N 50.288 . . 589 2306 71 GLU H H 9.082 . . 590 2306 71 GLU HA H 5.111 . . 591 2306 71 GLU HB2 H 1.781 . . 592 2306 71 GLU HG2 H 2.082 . . 593 2306 71 GLU HG3 H 1.853 . . 594 2306 71 GLU CA C 55.019 . . 595 2306 71 GLU CB C 32.426 . . 596 2306 71 GLU CG C 37.53 . . 597 2306 71 GLU N N 46.477 . . 598 2307 72 VAL H H 9.808 . . 599 2307 72 VAL HA H 4.565 . . 600 2307 72 VAL HB H 1.968 . . 601 2307 72 VAL HG1 H 0.903 . . 602 2307 72 VAL HG2 H 0.946 . . 603 2307 72 VAL CA C 61.583 . . 604 2307 72 VAL CB C 32.701 . . 605 2307 72 VAL CG1 C 22.12 . . 606 2307 72 VAL CG2 C 20.07 . . 607 2307 72 VAL N N 66.603 . . 608 2308 73 SER H H 9.478 . . 609 2308 73 SER HA H 5.095 . . 610 2308 73 SER HB2 H 3.622 . . 611 2308 73 SER HB3 H 3.772 . . 612 2308 73 SER CA C 57.514 . . 613 2308 73 SER CB C 65.208 . . 614 2308 73 SER N N 50.885 . . 615 2309 74 VAL H H 9.38 . . 616 2309 74 VAL HA H 4.006 . . 617 2309 74 VAL HB H 1.964 . . 618 2309 74 VAL HG1 H 0.875 . . 619 2309 74 VAL HG2 H 0.8 . . 620 2309 74 VAL CA C 61.878 . . 621 2309 74 VAL CB C 33.88 . . 622 2309 74 VAL CG1 C 20.49 . . 623 2309 74 VAL CG2 C 20.49 . . 624 2309 74 VAL N N 54.869 . . 625 2310 75 LYS H H 8.736 . . 626 2310 75 LYS HA H 4.836 . . 627 2310 75 LYS HB2 H 2.055 . . 628 2310 75 LYS HG2 H 1.727 . . 629 2310 75 LYS HG3 H 1.645 . . 630 2310 75 LYS HE2 H 2.521 . . 631 2310 75 LYS HE3 H 2.728 . . 632 2310 75 LYS CA C 54.26 . . 633 2310 75 LYS CB C 36.776 . . 634 2310 75 LYS CG C 32.61 . . 635 2310 75 LYS CE C 40.81 . . 636 2310 75 LYS N N 51.585 . . 637 2311 76 PHE H H 9.079 . . 638 2311 76 PHE HA H 5.199 . . 639 2311 76 PHE HB2 H 2.803 . . 640 2311 76 PHE HB3 H 2.454 . . 641 2311 76 PHE HD1 H 6.663 . . 642 2311 76 PHE HZ H 7.65 . . 643 2311 76 PHE CA C 56.174 . . 644 2311 76 PHE CB C 43.072 . . 645 2311 76 PHE N N 49.725 . . 646 2312 77 ASN H H 8.961 . . 647 2312 77 ASN HA H 4.215 . . 648 2312 77 ASN HB2 H 2.928 . . 649 2312 77 ASN HB3 H 2.651 . . 650 2312 77 ASN CA C 54.558 . . 651 2312 77 ASN CB C 36.73 . . 652 2312 77 ASN N N 60.814 . . 653 2313 78 GLU H H 8.866 . . 654 2313 78 GLU HA H 3.42 . . 655 2313 78 GLU HB2 H 2.259 . . 656 2313 78 GLU HG2 H 2.082 . . 657 2313 78 GLU HG3 H 1.925 . . 658 2313 78 GLU CA C 58.317 . . 659 2313 78 GLU CB C 27.184 . . 660 2313 78 GLU CG C 36.18 . . 661 2313 78 GLU N N 17.843 . . 662 2314 79 GLU H H 7.488 . . 663 2314 79 GLU HA H 4.679 . . 664 2314 79 GLU HB2 H 1.919 . . 665 2314 79 GLU HB3 H 2.042 . . 666 2314 79 GLU HG2 H 2.214 . . 667 2314 79 GLU HG3 H 2.351 . . 668 2314 79 GLU CA C 54.615 . . 669 2314 79 GLU CB C 32.516 . . 670 2314 79 GLU CG C 36 . . 671 2314 79 GLU N N 45.322 . . 672 2315 80 HIS H H 8.736 . . 673 2315 80 HIS HA H 4.433 . . 674 2315 80 HIS HB2 H 3.151 . . 675 2315 80 HIS HB3 H 2.857 . . 676 2315 80 HIS HD2 H 6.93 . . 677 2315 80 HIS HE2 H 7.103 . . 678 2315 80 HIS CA C 59.041 . . 679 2315 80 HIS CB C 32.413 . . 680 2315 80 HIS N N 51.585 . . 681 2316 81 ILE H H 8.074 . . 682 2316 81 ILE HA H 4.475 . . 683 2316 81 ILE HB H 2.288 . . 684 2316 81 ILE HG12 H 0.886 . . 685 2316 81 ILE HG13 H 0.886 . . 686 2316 81 ILE HG2 H 1.489 . . 687 2316 81 ILE HG2 H 0.396 . . 688 2316 81 ILE HG2 H 1.489 . . 689 2316 81 ILE HD1 H 0.95 . . 690 2316 81 ILE CA C 60.748 . . 691 2316 81 ILE CB C 35.153 . . 692 2316 81 ILE CG1 C 20.07 . . 693 2316 81 ILE CG2 C 22.04 . . 694 2316 81 ILE CD1 C 17.13 . . 695 2316 81 ILE N N 41.201 . . 696 2317 82 PRO HA H 4.328 . . 697 2317 82 PRO HB2 H 2.389 . . 698 2317 82 PRO HB3 H 2.221 . . 699 2317 82 PRO HG2 H 1.832 . . 700 2317 82 PRO HD2 H 3.609 . . 701 2317 82 PRO HD3 H 3.121 . . 702 2317 82 PRO CA C 65.811 . . 703 2317 82 PRO CB C 31.26 . . 704 2317 82 PRO CG C 30.1 . . 705 2317 82 PRO CD C 49.58 . . 706 2318 83 ASP H H 7.927 . . 707 2318 83 ASP HA H 3.792 . . 708 2318 83 ASP HB2 H 3.256 . . 709 2318 83 ASP HB3 H 2.503 . . 710 2318 83 ASP CA C 57.13 . . 711 2318 83 ASP CB C 39.87 . . 712 2318 83 ASP N N 35.399 . . 713 2319 84 SER H H 7.398 . . 714 2319 84 SER HA H 4.064 . . 715 2319 84 SER HB2 H 3.65 . . 716 2319 84 SER HB3 H 4.35 . . 717 2319 84 SER CA C 55.003 . . 718 2319 84 SER CB C 63.084 . . 719 2319 84 SER N N 29.279 . . 720 2320 85 PRO HA H 5.256 . . 721 2320 85 PRO HB2 H 2.086 . . 722 2320 85 PRO HB3 H 1.576 . . 723 2320 85 PRO HG2 H 1.668 . . 724 2320 85 PRO HD2 H 3.168 . . 725 2320 85 PRO CA C 62.469 . . 726 2320 85 PRO CB C 34.44 . . 727 2320 85 PRO CG C 24.08 . . 728 2320 85 PRO CD C 45.956 . . 729 2321 86 PHE H H 9.243 . . 730 2321 86 PHE HA H 4.562 . . 731 2321 86 PHE HB2 H 2.976 . . 732 2321 86 PHE HB3 H 2.859 . . 733 2321 86 PHE HD1 H 7.156 . . 734 2321 86 PHE HD2 H 7.336 . . 735 2321 86 PHE HE2 H 7.696 . . 736 2321 86 PHE CA C 56.819 . . 737 2321 86 PHE CB C 40.375 . . 738 2321 86 PHE CE2 C 51.05 . . 739 2321 86 PHE N N 48.967 . . 740 2322 87 VAL H H 8.785 . . 741 2322 87 VAL HA H 4.647 . . 742 2322 87 VAL HB H 1.965 . . 743 2322 87 VAL HG1 H 0.749 . . 744 2322 87 VAL HG2 H 0.86 . . 745 2322 87 VAL CA C 62.832 . . 746 2322 87 VAL CB C 31.447 . . 747 2322 87 VAL CG1 C 20.5 . . 748 2322 87 VAL CG2 C 21.04 . . 749 2322 87 VAL N N 55.133 . . 750 2323 88 VAL H H 9.45 . . 751 2323 88 VAL HA H 4.423 . . 752 2323 88 VAL HB H 1.806 . . 753 2323 88 VAL HG1 H 0.528 . . 754 2323 88 VAL HG2 H 0.667 . . 755 2323 88 VAL CA C 59.722 . . 756 2323 88 VAL CB C 35.358 . . 757 2323 88 VAL CG1 C 19.23 . . 758 2323 88 VAL CG2 C 20.11 . . 759 2323 88 VAL N N 68.795 . . 760 2324 89 PRO HA H 4.316 . . 761 2324 89 PRO HB2 H 1.813 . . 762 2324 89 PRO HG2 H 1.445 . . 763 2324 89 PRO HG3 H 1.496 . . 764 2324 89 PRO HD2 H 3.853 . . 765 2324 89 PRO HD3 H 3.644 . . 766 2324 89 PRO CA C 62.305 . . 767 2324 89 PRO CB C 31.845 . . 768 2324 89 PRO CG C 24.52 . . 769 2324 89 PRO CD C 50.98 . . 770 2325 90 VAL H H 9.146 . . 771 2325 90 VAL HA H 4.39 . . 772 2325 90 VAL HB H 2.379 . . 773 2325 90 VAL HG1 H 0.491 . . 774 2325 90 VAL HG2 H 0.705 . . 775 2325 90 VAL CA C 62.208 . . 776 2325 90 VAL CB C 31.845 . . 777 2325 90 VAL CG1 C 21.02 . . 778 2325 90 VAL CG2 C 21.07 . . 779 2325 90 VAL N N 57.869 . . 780 2326 91 ALA H H 8.533 . . 781 2326 91 ALA HA H 4.636 . . 782 2326 91 ALA HB H 1.512 . . 783 2326 91 ALA CA C 51.247 . . 784 2326 91 ALA CB C 21.749 . . 785 2326 91 ALA N N 67.766 . . 786 2327 92 SER H H 8.628 . . 787 2327 92 SER HA H 4.542 . . 788 2327 92 SER HB2 H 3.873 . . 789 2327 92 SER HB3 H 3.765 . . 790 2327 92 SER CA C 57.602 . . 791 2327 92 SER CB C 62.99 . . 792 2327 92 SER N N 37.84 . . 793 2328 93 PRO HA H 4.455 . . 794 2328 93 PRO HB2 H 2.261 . . 795 2328 93 PRO HG2 H 1.979 . . 796 2328 93 PRO HD2 H 3.8 . . 797 2328 93 PRO HD3 H 3.756 . . 798 2328 93 PRO CA C 63.318 . . 799 2328 93 PRO CB C 32.174 . . 800 2328 93 PRO CG C 27.173 . . 801 2328 93 PRO CD C 50.822 . . 802 2329 94 SER H H 8.489 . . 803 2329 94 SER HA H 4.433 . . 804 2329 94 SER HB2 H 3.838 . . 805 2329 94 SER HB3 H 3.808 . . 806 2329 94 SER CA C 58.839 . . 807 2329 94 SER CB C 64.226 . . 808 2329 94 SER N N 39.932 . . 809 2330 95 GLY H H 7.915 . . 810 2330 95 GLY HA2 H 4.345 . . 811 2330 95 GLY HA3 H 4.708 . . 812 2330 95 GLY CA C 46.32 . . 813 2330 95 GLY N N 39.482 . . stop_ save_