data_19362 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the STIM1 CC1-CC2 homodimer. ; _BMRB_accession_number 19362 _BMRB_flat_file_name bmr19362.str _Entry_type original _Submission_date 2013-07-12 _Accession_date 2013-07-12 _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 Stathopulos Peter B. . 2 Ikura Mitsuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 930 "13C chemical shifts" 693 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-01-13 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19363 '-CC2 homodimer in complex with two Orai1 C-terminal domains' stop_ _Original_release_date 2014-01-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'STIM1/Orai1 coiled-coil interplay in the regulation of store-operated calcium entry' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24351972 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stathopulos Peter B. . 2 Schindl Rainer . . 3 Fahrner Marc . . 4 Zheng Le . . 5 Gasmi-Seabrook Genevieve . . 6 Muik Martin . . 7 Romanin Christoph . . 8 Ikura Mitsuhiko . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume 4 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2963 _Page_last 2963 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'STIM1 CC1-CC2 homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label STIM1_CC1-CC2 $STIM1_CC1-CC2 STIM1_CC1-CC2 $STIM1_CC1-CC2 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_STIM1_CC1-CC2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common STIM1_CC1-CC2 _Molecular_mass 9703.089 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; GSHMASSRQKYAEEELEQVR EALRKAEKELESHSSWYAPE ALQKWLQLTHEVEVQYYNIK KQNAEKQLLVAKEGAEKIKK KR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 GLY 2 -4 SER 3 -3 HIS 4 -2 MET 5 -1 ALA 6 0 SER 7 312 SER 8 313 ARG 9 314 GLN 10 315 LYS 11 316 TYR 12 317 ALA 13 318 GLU 14 319 GLU 15 320 GLU 16 321 LEU 17 322 GLU 18 323 GLN 19 324 VAL 20 325 ARG 21 326 GLU 22 327 ALA 23 328 LEU 24 329 ARG 25 330 LYS 26 331 ALA 27 332 GLU 28 333 LYS 29 334 GLU 30 335 LEU 31 336 GLU 32 337 SER 33 338 HIS 34 339 SER 35 340 SER 36 341 TRP 37 342 TYR 38 343 ALA 39 344 PRO 40 345 GLU 41 346 ALA 42 347 LEU 43 348 GLN 44 349 LYS 45 350 TRP 46 351 LEU 47 352 GLN 48 353 LEU 49 354 THR 50 355 HIS 51 356 GLU 52 357 VAL 53 358 GLU 54 359 VAL 55 360 GLN 56 361 TYR 57 362 TYR 58 363 ASN 59 364 ILE 60 365 LYS 61 366 LYS 62 367 GLN 63 368 ASN 64 369 ALA 65 370 GLU 66 371 LYS 67 372 GLN 68 373 LEU 69 374 LEU 70 375 VAL 71 376 ALA 72 377 LYS 73 378 GLU 74 379 GLY 75 380 ALA 76 381 GLU 77 382 LYS 78 383 ILE 79 384 LYS 80 385 LYS 81 386 LYS 82 387 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-12 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 BMRB 19363 STIM1_CC1-CC2 100.00 82 100.00 100.00 3.59e-48 PDB 2MAJ "Solution Structure Of The Stim1 Cc1-cc2 Homodimer." 100.00 82 100.00 100.00 3.59e-48 PDB 2MAK "Solution Structure Of The Stim1 Cc1-cc2 Homodimer In Complex With Two Orai1 C-terminal Domains" 100.00 82 100.00 100.00 3.59e-48 PDB 3TEQ "Crystal Structure Of Soar Domain" 53.66 101 97.73 100.00 4.62e-20 GB ADO20317 "STIM1L [Homo sapiens]" 92.68 791 100.00 100.00 5.15e-40 REF NP_001264890 "stromal interaction molecule 1 isoform 1 precursor [Homo sapiens]" 92.68 791 100.00 100.00 5.15e-40 REF XP_003910388 "PREDICTED: stromal interaction molecule 1 isoform X1 [Papio anubis]" 92.68 790 100.00 100.00 5.01e-40 REF XP_003923449 "PREDICTED: stromal interaction molecule 1 isoform X1 [Saimiri boliviensis boliviensis]" 92.68 792 100.00 100.00 5.02e-40 REF XP_003951854 "PREDICTED: stromal interaction molecule 1 isoform X1 [Pan troglodytes]" 92.68 791 100.00 100.00 5.15e-40 REF XP_004016320 "PREDICTED: stromal interaction molecule 1 isoform X1 [Ovis aries]" 92.68 785 100.00 100.00 1.19e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $STIM1_CC1-CC2 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 $STIM1_CC1-CC2 'recombinant technology' . Escherichia coli . pET-28a 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 $STIM1_CC1-CC2 0.5 mM '[U-99% 15N]' bis-TRIS 20 mM 'natural abundance' TFE 0.175 v/v '[U-99% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $STIM1_CC1-CC2 0.5 mM '[U-99% 13C; U-99% 15N]' bis-TRIS 20 mM 'natural abundance' TFE 0.175 v/v '[U-99% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $STIM1_CC1-CC2 0.5 mM '[U-99% 13C; U-99% 15N]' bis-TRIS 20 mM 'natural abundance' TFE 0.175 v/v '[U-99% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $STIM1_CC1-CC2 0.5 mM '[U-99% 13C; U-99% 15N]' $STIM1_CC1-CC2 0.5 mM 'natural abundance' bis-TRIS 20 mM 'natural abundance' TFE 0.175 v/v '[U-99% 2H]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' 'geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'geometry optimization' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_C(CO)NH_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH TOCSY' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C-1H-12C/14N_xfilt_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H-12C/14N xfilt NOESY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 5.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D C(CO)NH TOCSY' '3D H(CCO)NH TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name STIM1_CC1-CC2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -3 3 HIS HA H 4.631 0.040 1 2 -3 3 HIS HB2 H 3.17 0.040 2 3 -3 3 HIS HB3 H 3.082 0.040 2 4 -3 3 HIS C C 174.845 0.400 1 5 -3 3 HIS CA C 56.103 0.400 1 6 -3 3 HIS CB C 29.948 0.400 1 7 -2 4 MET H H 8.297 0.040 1 8 -2 4 MET HA H 4.386 0.040 1 9 -2 4 MET HB2 H 2.015 0.040 2 10 -2 4 MET HB3 H 1.927 0.040 2 11 -2 4 MET HG2 H 2.477 0.040 2 12 -2 4 MET HG3 H 2.43 0.040 2 13 -2 4 MET C C 175.874 0.400 1 14 -2 4 MET CA C 55.898 0.003 1 15 -2 4 MET CB C 33.203 0.032 1 16 -2 4 MET CG C 32.207 0.400 1 17 -2 4 MET N N 121.3 0.400 1 18 -1 5 ALA H H 8.311 0.040 1 19 -1 5 ALA HA H 4.285 0.040 1 20 -1 5 ALA HB H 1.37 0.040 1 21 -1 5 ALA C C 177.793 0.400 1 22 -1 5 ALA CA C 53.001 0.07 1 23 -1 5 ALA CB C 19.357 0.042 1 24 -1 5 ALA N N 124.904 0.400 1 25 0 6 SER H H 8.175 0.040 1 26 0 6 SER HA H 4.414 0.040 1 27 0 6 SER HB2 H 3.904 0.040 2 28 0 6 SER HB3 H 3.829 0.040 2 29 0 6 SER C C 174.845 0.400 1 30 0 6 SER CA C 58.784 0.158 1 31 0 6 SER CB C 64.033 0.134 1 32 0 6 SER N N 114.122 0.400 1 33 312 7 SER H H 8.204 0.040 1 34 312 7 SER HA H 4.4 0.040 1 35 312 7 SER HB2 H 3.924 0.040 2 36 312 7 SER HB3 H 3.856 0.040 2 37 312 7 SER C C 174.757 0.400 1 38 312 7 SER CA C 58.882 0.11 1 39 312 7 SER CB C 63.922 0.058 1 40 312 7 SER N N 117.154 0.400 1 41 313 8 ARG H H 8.234 0.040 1 42 313 8 ARG HA H 4.244 0.040 1 43 313 8 ARG HB2 H 1.866 0.040 2 44 313 8 ARG HB3 H 1.757 0.040 2 45 313 8 ARG HG2 H 1.628 0.040 2 46 313 8 ARG HG3 H 1.608 0.040 2 47 313 8 ARG HD2 H 3.129 0.040 2 48 313 8 ARG HD3 H 3.129 0.040 2 49 313 8 ARG C C 176.677 0.400 1 50 313 8 ARG CA C 57.25 0.181 1 51 313 8 ARG CB C 30.578 0.025 1 52 313 8 ARG CG C 27.6 0.400 1 53 313 8 ARG CD C 43.578 0.400 1 54 313 8 ARG N N 121.93 0.400 1 55 314 9 GLN H H 8.194 0.040 1 56 314 9 GLN HA H 4.149 0.040 1 57 314 9 GLN HB2 H 1.988 0.040 2 58 314 9 GLN HB3 H 1.988 0.040 2 59 314 9 GLN HG2 H 2.28 0.040 2 60 314 9 GLN HG3 H 2.28 0.040 2 61 314 9 GLN C C 176.188 0.400 1 62 314 9 GLN CA C 57.285 0.157 1 63 314 9 GLN CB C 29.197 0.014 1 64 314 9 GLN CG C 34.15 0.400 1 65 314 9 GLN N N 120.172 0.400 1 66 315 10 LYS H H 8.041 0.040 1 67 315 10 LYS HA H 4.176 0.040 1 68 315 10 LYS HB2 H 1.689 0.040 2 69 315 10 LYS HB3 H 1.689 0.040 2 70 315 10 LYS HG2 H 1.336 0.040 2 71 315 10 LYS HG3 H 1.254 0.040 2 72 315 10 LYS HD2 H 1.574 0.040 2 73 315 10 LYS HD3 H 1.574 0.040 2 74 315 10 LYS HE2 H 2.898 0.040 2 75 315 10 LYS HE3 H 2.898 0.040 2 76 315 10 LYS C C 176.868 0.400 1 77 315 10 LYS CA C 57.175 0.048 1 78 315 10 LYS CB C 32.98 0.042 1 79 315 10 LYS CG C 25.009 0.400 1 80 315 10 LYS CD C 29.4 0.400 1 81 315 10 LYS CE C 42.427 0.400 1 82 315 10 LYS N N 120.875 0.400 1 83 316 11 TYR H H 8.051 0.040 1 84 316 11 TYR HA H 4.488 0.040 1 85 316 11 TYR HB2 H 3.129 0.040 2 86 316 11 TYR HB3 H 2.905 0.040 2 87 316 11 TYR C C 176.607 0.400 1 88 316 11 TYR CA C 58.849 0.002 1 89 316 11 TYR CB C 38.701 0.039 1 90 316 11 TYR N N 119.63 0.400 1 91 317 12 ALA H H 8.319 0.040 1 92 317 12 ALA HA H 4.196 0.040 1 93 317 12 ALA HB H 1.438 0.040 1 94 317 12 ALA C C 179.032 0.400 1 95 317 12 ALA CA C 54.309 0.022 1 96 317 12 ALA CB C 18.668 0.02 1 97 317 12 ALA N N 123.747 0.400 1 98 318 13 GLU H H 8.581 0.040 1 99 318 13 GLU HA H 3.965 0.040 1 100 318 13 GLU HB2 H 2.063 0.040 2 101 318 13 GLU HB3 H 2.063 0.040 2 102 318 13 GLU HG2 H 2.314 0.040 2 103 318 13 GLU HG3 H 2.314 0.040 2 104 318 13 GLU C C 178.247 0.400 1 105 318 13 GLU CA C 59.706 0.005 1 106 318 13 GLU CB C 29.592 0.095 1 107 318 13 GLU CG C 36.741 0.400 1 108 318 13 GLU N N 118.341 0.400 1 109 319 14 GLU H H 8.301 0.040 1 110 319 14 GLU HA H 4.06 0.040 1 111 319 14 GLU HB2 H 2.104 0.040 2 112 319 14 GLU HB3 H 2.029 0.040 2 113 319 14 GLU HG2 H 2.369 0.040 2 114 319 14 GLU HG3 H 2.287 0.040 2 115 319 14 GLU C C 178.875 0.400 1 116 319 14 GLU CA C 59.681 0.091 1 117 319 14 GLU CB C 29.673 0.087 1 118 319 14 GLU CG C 36.669 0.400 1 119 319 14 GLU N N 118.808 0.400 1 120 320 15 GLU H H 8.144 0.040 1 121 320 15 GLU HA H 4.04 0.040 1 122 320 15 GLU HB2 H 2.158 0.040 2 123 320 15 GLU HB3 H 2.063 0.040 2 124 320 15 GLU HG2 H 2.273 0.040 2 125 320 15 GLU HG3 H 2.273 0.040 2 126 320 15 GLU C C 178.509 0.400 1 127 320 15 GLU CA C 59.528 0.023 1 128 320 15 GLU CB C 29.564 0.088 1 129 320 15 GLU CG C 36.381 0.400 1 130 320 15 GLU N N 119.996 0.400 1 131 321 16 LEU H H 8.018 0.040 1 132 321 16 LEU HA H 4.115 0.040 1 133 321 16 LEU HB2 H 1.934 0.040 2 134 321 16 LEU HB3 H 1.934 0.040 2 135 321 16 LEU HG H 1.444 0.040 1 136 321 16 LEU HD1 H 0.874 0.040 2 137 321 16 LEU HD2 H 0.887 0.040 2 138 321 16 LEU C C 178.683 0.400 1 139 321 16 LEU CA C 57.986 0.02 1 140 321 16 LEU CB C 41.942 0.103 1 141 321 16 LEU CG C 28.104 0.400 1 142 321 16 LEU CD1 C 25.153 0.400 2 143 321 16 LEU CD2 C 24.937 0.400 2 144 321 16 LEU N N 119.147 0.400 1 145 322 17 GLU H H 8.082 0.040 1 146 322 17 GLU HA H 4.04 0.040 1 147 322 17 GLU HB2 H 2.165 0.040 2 148 322 17 GLU HB3 H 2.104 0.040 2 149 322 17 GLU HG2 H 2.369 0.040 2 150 322 17 GLU HG3 H 2.369 0.040 2 151 322 17 GLU C C 179.032 0.400 1 152 322 17 GLU CA C 59.595 0.005 1 153 322 17 GLU CB C 29.122 0.017 1 154 322 17 GLU CG C 35.733 0.400 1 155 322 17 GLU N N 119.055 0.400 1 156 323 18 GLN H H 7.841 0.040 1 157 323 18 GLN HA H 4.047 0.040 1 158 323 18 GLN HB2 H 2.267 0.040 2 159 323 18 GLN HB3 H 2.144 0.040 2 160 323 18 GLN HG2 H 2.518 0.040 2 161 323 18 GLN HG3 H 2.389 0.040 2 162 323 18 GLN C C 179.154 0.400 1 163 323 18 GLN CA C 59.318 0.091 1 164 323 18 GLN CB C 28.449 0.122 1 165 323 18 GLN CG C 34.51 0.400 1 166 323 18 GLN N N 118.092 0.400 1 167 324 19 VAL H H 7.997 0.040 1 168 324 19 VAL HA H 3.625 0.040 1 169 324 19 VAL HB H 2.175 0.040 1 170 324 19 VAL HG1 H 0.845 0.040 2 171 324 19 VAL HG2 H 0.975 0.040 2 172 324 19 VAL C C 177.497 0.400 1 173 324 19 VAL CA C 66.727 0.042 1 174 324 19 VAL CB C 31.67 0.042 1 175 324 19 VAL CG1 C 22.562 0.400 2 176 324 19 VAL CG2 C 21.626 0.400 2 177 324 19 VAL N N 121.608 0.400 1 178 325 20 ARG H H 8.372 0.040 1 179 325 20 ARG HA H 3.904 0.040 1 180 325 20 ARG HB2 H 1.771 0.040 2 181 325 20 ARG HB3 H 1.771 0.040 2 182 325 20 ARG HG2 H 1.635 0.040 2 183 325 20 ARG HG3 H 1.635 0.040 2 184 325 20 ARG HD2 H 2.917 0.040 2 185 325 20 ARG HD3 H 2.917 0.040 2 186 325 20 ARG C C 178.317 0.400 1 187 325 20 ARG CA C 60.599 0.063 1 188 325 20 ARG CB C 30.212 0.021 1 189 325 20 ARG CG C 28.176 0.400 1 190 325 20 ARG CD C 41.851 0.400 1 191 325 20 ARG N N 119.044 0.400 1 192 326 21 GLU H H 8.076 0.040 1 193 326 21 GLU HA H 4.094 0.040 1 194 326 21 GLU HB2 H 2.099 0.040 2 195 326 21 GLU HB3 H 2.099 0.040 2 196 326 21 GLU HG2 H 2.339 0.040 2 197 326 21 GLU HG3 H 2.339 0.040 2 198 326 21 GLU C C 178.613 0.400 1 199 326 21 GLU CA C 59.313 0.155 1 200 326 21 GLU CB C 29.274 0.169 1 201 326 21 GLU CG C 35.877 0.400 1 202 326 21 GLU N N 118.063 0.400 1 203 327 22 ALA H H 8.004 0.040 1 204 327 22 ALA HA H 4.09 0.040 1 205 327 22 ALA HB H 1.539 0.040 1 206 327 22 ALA C C 180.969 0.400 1 207 327 22 ALA CA C 55.584 0.026 1 208 327 22 ALA CB C 17.696 0.019 1 209 327 22 ALA N N 123.324 0.064 1 210 328 23 LEU H H 8.553 0.040 1 211 328 23 LEU HA H 4.135 0.040 1 212 328 23 LEU HB2 H 1.92 0.040 2 213 328 23 LEU HB3 H 1.92 0.040 2 214 328 23 LEU HG H 1.478 0.040 1 215 328 23 LEU HD1 H 0.725 0.040 2 216 328 23 LEU HD2 H 0.735 0.040 2 217 328 23 LEU C C 179.643 0.400 1 218 328 23 LEU CA C 58.193 0.037 1 219 328 23 LEU CB C 41.725 0.008 1 220 328 23 LEU CG C 26.809 0.400 1 221 328 23 LEU CD1 C 25.441 0.400 2 222 328 23 LEU CD2 C 22.994 0.400 2 223 328 23 LEU N N 119.249 0.400 1 224 329 24 ARG H H 8.279 0.040 1 225 329 24 ARG HA H 4.121 0.040 1 226 329 24 ARG HB2 H 1.946 0.040 2 227 329 24 ARG HB3 H 1.946 0.040 2 228 329 24 ARG HG2 H 1.635 0.040 2 229 329 24 ARG HG3 H 1.635 0.040 2 230 329 24 ARG HD2 H 3.197 0.040 2 231 329 24 ARG HD3 H 3.197 0.040 2 232 329 24 ARG C C 179.503 0.400 1 233 329 24 ARG CA C 59.723 0.133 1 234 329 24 ARG CB C 30.282 0.074 1 235 329 24 ARG CG C 28.104 0.400 1 236 329 24 ARG CD C 43.722 0.400 1 237 329 24 ARG N N 120.249 0.400 1 238 330 25 LYS H H 8.084 0.040 1 239 330 25 LYS HA H 3.953 0.040 1 240 330 25 LYS HB2 H 1.924 0.040 2 241 330 25 LYS HB3 H 1.924 0.040 2 242 330 25 LYS HG2 H 1.368 0.040 2 243 330 25 LYS HG3 H 1.368 0.040 2 244 330 25 LYS HD2 H 1.652 0.040 2 245 330 25 LYS HD3 H 1.652 0.040 2 246 330 25 LYS C C 179.032 0.400 1 247 330 25 LYS CA C 59.822 0.031 1 248 330 25 LYS CB C 32.437 0.035 1 249 330 25 LYS CG C 26.089 0.400 1 250 330 25 LYS CD C 29.975 0.400 1 251 330 25 LYS CE C 42.427 0.400 1 252 330 25 LYS N N 119.85 0.400 1 253 331 26 ALA H H 8.156 0.040 1 254 331 26 ALA HA H 4.072 0.040 1 255 331 26 ALA HB H 1.488 0.040 1 256 331 26 ALA C C 179.276 0.400 1 257 331 26 ALA CA C 55.218 0.01 1 258 331 26 ALA CB C 17.969 0.017 1 259 331 26 ALA N N 122.296 0.400 1 260 332 27 GLU H H 8.311 0.040 1 261 332 27 GLU HA H 3.527 0.040 1 262 332 27 GLU HB2 H 2.088 0.040 2 263 332 27 GLU HB3 H 2.088 0.040 2 264 332 27 GLU HG2 H 2.153 0.040 2 265 332 27 GLU HG3 H 2.153 0.040 2 266 332 27 GLU C C 178.142 0.400 1 267 332 27 GLU CA C 59.75 0.078 1 268 332 27 GLU CB C 29.014 0.042 1 269 332 27 GLU CG C 35.23 0.400 1 270 332 27 GLU N N 118.063 0.400 1 271 333 28 LYS H H 7.694 0.040 1 272 333 28 LYS HA H 4.006 0.040 1 273 333 28 LYS HB2 H 1.908 0.040 2 274 333 28 LYS HB3 H 1.908 0.040 2 275 333 28 LYS HG2 H 1.506 0.040 2 276 333 28 LYS HG3 H 1.506 0.040 2 277 333 28 LYS HD2 H 1.642 0.040 2 278 333 28 LYS HD3 H 1.642 0.040 2 279 333 28 LYS C C 179.66 0.400 1 280 333 28 LYS CA C 58.48 0.031 1 281 333 28 LYS CB C 31.946 0.015 1 282 333 28 LYS CG C 26.737 0.400 1 283 333 28 LYS CD C 29.256 0.400 1 284 333 28 LYS CE C 42.427 0.400 1 285 333 28 LYS N N 117.403 0.400 1 286 334 29 GLU H H 7.911 0.040 1 287 334 29 GLU HA H 4.05 0.040 1 288 334 29 GLU HB2 H 2.104 0.040 2 289 334 29 GLU HB3 H 2.05 0.040 2 290 334 29 GLU HG2 H 2.27 0.040 2 291 334 29 GLU HG3 H 2.27 0.040 2 292 334 29 GLU C C 179.102 0.400 1 293 334 29 GLU CA C 59.175 0.017 1 294 334 29 GLU CB C 29.152 0.003 1 295 334 29 GLU CG C 35.877 0.400 1 296 334 29 GLU N N 120.483 0.400 1 297 335 30 LEU H H 8.179 0.040 1 298 335 30 LEU HA H 3.902 0.040 1 299 335 30 LEU HB2 H 1.623 0.040 2 300 335 30 LEU HB3 H 1.623 0.040 2 301 335 30 LEU HG H 1.303 0.040 1 302 335 30 LEU HD1 H 0.485 0.040 2 303 335 30 LEU HD2 H 0.496 0.040 2 304 335 30 LEU C C 179.311 0.400 1 305 335 30 LEU CA C 58.231 0.008 1 306 335 30 LEU CB C 41.68 0.083 1 307 335 30 LEU CG C 27.096 0.400 1 308 335 30 LEU CD1 C 24.865 0.400 2 309 335 30 LEU CD2 C 23.426 0.400 2 310 335 30 LEU N N 120.905 0.400 1 311 336 31 GLU H H 8.133 0.040 1 312 336 31 GLU HA H 3.909 0.040 1 313 336 31 GLU HB2 H 2.033 0.040 2 314 336 31 GLU HB3 H 2.033 0.040 2 315 336 31 GLU HG2 H 2.393 0.040 2 316 336 31 GLU HG3 H 2.197 0.040 2 317 336 31 GLU C C 178.369 0.400 1 318 336 31 GLU CA C 58.703 0.118 1 319 336 31 GLU CB C 29.667 0.097 1 320 336 31 GLU CG C 36.021 0.400 1 321 336 31 GLU N N 117.321 0.400 1 322 337 32 SER H H 7.784 0.040 1 323 337 32 SER HA H 4.247 0.040 1 324 337 32 SER HB2 H 3.756 0.040 2 325 337 32 SER HB3 H 3.756 0.040 2 326 337 32 SER C C 174.792 0.400 1 327 337 32 SER CA C 59.939 0.039 1 328 337 32 SER CB C 63.686 0.017 1 329 337 32 SER N N 112.613 0.400 1 330 338 33 HIS H H 7.827 0.040 1 331 338 33 HIS HA H 4.672 0.040 1 332 338 33 HIS HB2 H 2.971 0.040 2 333 338 33 HIS HB3 H 2.971 0.040 2 334 338 33 HIS C C 174.827 0.400 1 335 338 33 HIS CA C 55.514 0.033 1 336 338 33 HIS CB C 28.796 0.05 1 337 338 33 HIS N N 118.649 0.400 1 338 339 34 SER H H 7.95 0.040 1 339 339 34 SER HA H 4.269 0.040 1 340 339 34 SER HB2 H 3.876 0.040 2 341 339 34 SER HB3 H 3.876 0.040 2 342 339 34 SER C C 175.159 0.400 1 343 339 34 SER CA C 60.454 0.082 1 344 339 34 SER CB C 63.508 0.038 1 345 339 34 SER N N 115.44 0.400 1 346 340 35 SER H H 8.11 0.040 1 347 340 35 SER HA H 4.334 0.040 1 348 340 35 SER HB2 H 3.778 0.040 2 349 340 35 SER HB3 H 3.778 0.040 2 350 340 35 SER C C 174.531 0.400 1 351 340 35 SER CA C 59.46 0.001 1 352 340 35 SER CB C 63.644 0.067 1 353 340 35 SER N N 115.411 0.400 1 354 341 36 TRP H H 7.937 0.040 1 355 341 36 TRP HA H 4.52 0.040 1 356 341 36 TRP HB2 H 3.036 0.040 2 357 341 36 TRP HB3 H 3.036 0.040 2 358 341 36 TRP HE1 H 9.891 0.008 1 359 341 36 TRP C C 175.473 0.400 1 360 341 36 TRP CA C 57.359 0.069 1 361 341 36 TRP CB C 29.552 0.023 1 362 341 36 TRP N N 121.124 0.400 1 363 341 36 TRP NE1 N 127.981 0.400 1 364 342 37 TYR H H 7.49 0.040 1 365 342 37 TYR HA H 4.485 0.040 1 366 342 37 TYR HB2 H 2.835 0.040 2 367 342 37 TYR HB3 H 2.703 0.040 2 368 342 37 TYR C C 174.565 0.400 1 369 342 37 TYR CA C 57.243 0.189 1 370 342 37 TYR CB C 39.528 0.016 1 371 342 37 TYR N N 118.854 0.400 1 372 343 38 ALA H H 7.91 0.040 1 373 343 38 ALA CA C 51.389 0.400 1 374 343 38 ALA CB C 18.275 0.400 1 375 343 38 ALA N N 125.05 0.400 1 376 344 39 PRO HA H 4.225 0.040 1 377 344 39 PRO HB2 H 2.317 0.040 2 378 344 39 PRO HB3 H 2.317 0.040 2 379 344 39 PRO HG2 H 1.902 0.040 2 380 344 39 PRO HG3 H 1.902 0.040 2 381 344 39 PRO C C 178.317 0.400 1 382 344 39 PRO CA C 65.458 0.400 1 383 344 39 PRO CB C 31.514 0.400 1 384 344 39 PRO CG C 28.032 0.400 1 385 344 39 PRO CD C 50.488 0.400 1 386 345 40 GLU H H 8.846 0.040 1 387 345 40 GLU HA H 4.029 0.040 1 388 345 40 GLU HB2 H 2.011 0.040 2 389 345 40 GLU HB3 H 2.011 0.040 2 390 345 40 GLU HG2 H 2.295 0.040 2 391 345 40 GLU HG3 H 2.295 0.040 2 392 345 40 GLU C C 178.177 0.400 1 393 345 40 GLU CA C 59.744 0.016 1 394 345 40 GLU CB C 29.133 0.009 1 395 345 40 GLU CG C 36.741 0.400 1 396 345 40 GLU N N 117.213 0.400 1 397 346 41 ALA H H 7.827 0.040 1 398 346 41 ALA HA H 4.094 0.040 1 399 346 41 ALA HB H 1.461 0.040 1 400 346 41 ALA C C 179.398 0.400 1 401 346 41 ALA CA C 55.146 0.007 1 402 346 41 ALA CB C 18.576 0.151 1 403 346 41 ALA N N 121.754 0.400 1 404 347 42 LEU H H 7.712 0.040 1 405 347 42 LEU HA H 3.782 0.040 1 406 347 42 LEU HB2 H 1.89 0.040 2 407 347 42 LEU HB3 H 1.89 0.040 2 408 347 42 LEU HG H 1.302 0.040 1 409 347 42 LEU HD1 H 0.794 0.040 2 410 347 42 LEU HD2 H 0.849 0.040 2 411 347 42 LEU C C 179.468 0.400 1 412 347 42 LEU CA C 58.163 0.059 1 413 347 42 LEU CB C 41.915 0.119 1 414 347 42 LEU CG C 27.888 0.400 1 415 347 42 LEU CD1 C 24.865 0.400 2 416 347 42 LEU CD2 C 22.994 0.400 2 417 347 42 LEU N N 118.18 0.400 1 418 348 43 GLN H H 8.08 0.040 1 419 348 43 GLN HA H 3.933 0.040 1 420 348 43 GLN HB2 H 2.13 0.040 2 421 348 43 GLN HB3 H 2.13 0.040 2 422 348 43 GLN HG2 H 2.433 0.040 2 423 348 43 GLN HG3 H 2.308 0.040 2 424 348 43 GLN C C 178.596 0.400 1 425 348 43 GLN CA C 59.698 0.18 1 426 348 43 GLN CB C 28.615 0.036 1 427 348 43 GLN CG C 34.15 0.400 1 428 348 43 GLN N N 118.557 0.400 1 429 349 44 LYS H H 7.893 0.040 1 430 349 44 LYS HA H 4.062 0.040 1 431 349 44 LYS HB2 H 1.951 0.040 2 432 349 44 LYS HB3 H 1.951 0.040 2 433 349 44 LYS HG2 H 1.551 0.040 2 434 349 44 LYS HG3 H 1.551 0.040 2 435 349 44 LYS HD2 H 1.873 0.040 2 436 349 44 LYS HD3 H 1.873 0.040 2 437 349 44 LYS HE2 H 3.084 0.040 2 438 349 44 LYS HE3 H 3.084 0.040 2 439 349 44 LYS C C 178.299 0.400 1 440 349 44 LYS CA C 59.581 0.094 1 441 349 44 LYS CB C 32.1 0.059 1 442 349 44 LYS CG C 25.441 0.400 1 443 349 44 LYS CD C 29.616 0.400 1 444 349 44 LYS CE C 42.283 0.400 1 445 349 44 LYS N N 118.707 0.400 1 446 350 45 TRP H H 8.231 0.040 1 447 350 45 TRP HA H 4.21 0.040 1 448 350 45 TRP HB2 H 3.473 0.040 2 449 350 45 TRP HB3 H 3.252 0.040 2 450 350 45 TRP HE1 H 9.75 0.008 1 451 350 45 TRP C C 179.084 0.400 1 452 350 45 TRP CA C 61.477 0.049 1 453 350 45 TRP CB C 29.157 0.096 1 454 350 45 TRP N N 120.963 0.400 1 455 350 45 TRP NE1 N 126.809 0.400 1 456 351 46 LEU H H 8.788 0.040 1 457 351 46 LEU HA H 4.144 0.040 1 458 351 46 LEU HB2 H 1.756 0.040 2 459 351 46 LEU HB3 H 1.614 0.040 2 460 351 46 LEU HG H 1.446 0.040 1 461 351 46 LEU HD1 H 0.846 0.040 2 462 351 46 LEU HD2 H 0.856 0.040 2 463 351 46 LEU C C 178.509 0.400 1 464 351 46 LEU CA C 58.257 0.094 1 465 351 46 LEU CB C 41.861 0.035 1 466 351 46 LEU CG C 27.528 0.400 1 467 351 46 LEU CD1 C 24.361 0.400 2 468 351 46 LEU CD2 C 18.819 0.400 2 469 351 46 LEU N N 120.875 0.400 1 470 352 47 GLN H H 8.041 0.040 1 471 352 47 GLN HA H 3.964 0.040 1 472 352 47 GLN HB2 H 2.316 0.040 2 473 352 47 GLN HB3 H 2.167 0.040 2 474 352 47 GLN HG2 H 2.52 0.040 2 475 352 47 GLN HG3 H 2.52 0.040 2 476 352 47 GLN C C 178.561 0.400 1 477 352 47 GLN CA C 59.567 0.024 1 478 352 47 GLN CB C 28.446 0.035 1 479 352 47 GLN CG C 34.15 0.400 1 480 352 47 GLN N N 116.803 0.400 1 481 353 48 LEU H H 8.344 0.040 1 482 353 48 LEU HA H 4.051 0.040 1 483 353 48 LEU HB2 H 1.671 0.040 2 484 353 48 LEU HB3 H 1.567 0.040 2 485 353 48 LEU HG H 1.383 0.040 1 486 353 48 LEU HD1 H 0.864 0.076 2 487 353 48 LEU C C 178.666 0.400 1 488 353 48 LEU CA C 58.389 0.009 1 489 353 48 LEU CB C 42.17 0.13 1 490 353 48 LEU CG C 27.025 0.400 1 491 353 48 LEU CD1 C 24.433 0.400 2 492 353 48 LEU CD2 C 19.251 0.400 2 493 353 48 LEU N N 121.08 0.400 1 494 354 49 THR H H 8.188 0.040 1 495 354 49 THR C C 175.857 0.400 1 496 354 49 THR CA C 66.706 0.007 1 497 354 49 THR CB C 68.681 0.119 1 498 354 49 THR N N 111.749 0.400 1 499 355 50 HIS H H 7.928 0.040 1 500 355 50 HIS CA C 59.217 0.400 1 501 355 50 HIS CB C 33.204 0.400 1 502 355 50 HIS N N 119.352 0.400 1 503 356 51 GLU HA H 3.924 0.040 1 504 356 51 GLU HB2 H 2.231 0.040 2 505 356 51 GLU HB3 H 2.09 0.040 2 506 356 51 GLU HG2 H 2.361 0.040 2 507 356 51 GLU HG3 H 2.361 0.040 2 508 356 51 GLU C C 179.154 0.400 1 509 356 51 GLU CA C 59.734 0.400 1 510 356 51 GLU CB C 29.227 0.400 1 511 356 51 GLU CG C 36.165 0.400 1 512 357 52 VAL H H 8.201 0.040 1 513 357 52 VAL HA H 3.516 0.040 1 514 357 52 VAL HB H 2.034 0.040 1 515 357 52 VAL HG1 H 0.8 0.040 2 516 357 52 VAL HG2 H 0.9 0.040 2 517 357 52 VAL C C 177.479 0.400 1 518 357 52 VAL CA C 66.803 0.055 1 519 357 52 VAL CB C 31.536 0.137 1 520 357 52 VAL CG1 C 22.994 0.400 2 521 357 52 VAL CG2 C 21.483 0.400 2 522 357 52 VAL N N 119.311 0.400 1 523 358 53 GLU H H 7.975 0.040 1 524 358 53 GLU HA H 4.04 0.040 1 525 358 53 GLU HB2 H 2.061 0.040 2 526 358 53 GLU HB3 H 2.061 0.040 2 527 358 53 GLU HG2 H 2.382 0.040 2 528 358 53 GLU HG3 H 2.233 0.040 2 529 358 53 GLU C C 178.892 0.400 1 530 358 53 GLU CA C 60.171 0.067 1 531 358 53 GLU CB C 29.422 0.092 1 532 358 53 GLU CG C 36.381 0.400 1 533 358 53 GLU N N 119.674 0.400 1 534 359 54 VAL H H 8.071 0.040 1 535 359 54 VAL HA H 3.631 0.040 1 536 359 54 VAL HB H 2.06 0.040 1 537 359 54 VAL HG1 H 0.8 0.040 2 538 359 54 VAL HG2 H 0.862 0.040 2 539 359 54 VAL C C 176.031 0.400 1 540 359 54 VAL CA C 66.749 0.036 1 541 359 54 VAL CB C 32.069 0.108 1 542 359 54 VAL CG1 C 22.922 0.400 2 543 359 54 VAL CG2 C 21.698 0.400 2 544 359 54 VAL N N 118.356 0.400 1 545 360 55 GLN H H 8.073 0.001 1 546 360 55 GLN HA H 4.127 0.040 1 547 360 55 GLN HB2 H 2.153 0.040 2 548 360 55 GLN HB3 H 2.153 0.040 2 549 360 55 GLN HG2 H 2.43 0.040 2 550 360 55 GLN HG3 H 2.43 0.040 2 551 360 55 GLN C C 178.369 0.400 1 552 360 55 GLN CA C 59.037 0.023 1 553 360 55 GLN CB C 28.209 0.01 1 554 360 55 GLN CG C 33.646 0.400 1 555 360 55 GLN N N 119.015 0.400 1 556 361 56 TYR H H 8.723 0.040 1 557 361 56 TYR HA H 4.083 0.040 1 558 361 56 TYR HB2 H 3.069 0.040 2 559 361 56 TYR HB3 H 2.993 0.040 2 560 361 56 TYR C C 177.2 0.400 1 561 361 56 TYR CA C 61.748 0.072 1 562 361 56 TYR CB C 38.352 0.012 1 563 361 56 TYR N N 120.172 0.400 1 564 362 57 TYR H H 8.421 0.040 1 565 362 57 TYR HA H 3.973 0.040 1 566 362 57 TYR HB2 H 3.117 0.040 2 567 362 57 TYR HB3 H 3.117 0.040 2 568 362 57 TYR C C 177.723 0.400 1 569 362 57 TYR CA C 62.004 0.112 1 570 362 57 TYR CB C 37.937 0.003 1 571 362 57 TYR N N 118.707 0.400 1 572 363 58 ASN H H 8.305 0.040 1 573 363 58 ASN HA H 4.353 0.040 1 574 363 58 ASN HB2 H 2.944 0.040 2 575 363 58 ASN HB3 H 2.717 0.040 2 576 363 58 ASN C C 177.88 0.400 1 577 363 58 ASN CA C 56.777 0.007 1 578 363 58 ASN CB C 38.58 0.400 1 579 363 58 ASN N N 117.671 0.400 1 580 364 59 ILE H H 8.201 0.040 1 581 364 59 ILE HA H 3.699 0.040 1 582 364 59 ILE HG12 H 1.087 0.040 2 583 364 59 ILE HG13 H 1.087 0.040 2 584 364 59 ILE HG2 H 0.809 0.040 1 585 364 59 ILE HD1 H 0.639 0.040 1 586 364 59 ILE C C 178.194 0.400 1 587 364 59 ILE CA C 65.098 0.065 1 588 364 59 ILE CB C 38.1 0.004 1 589 364 59 ILE CG1 C 29.472 0.400 1 590 364 59 ILE CG2 C 17.596 0.400 1 591 364 59 ILE CD1 C 17.524 0.400 1 592 364 59 ILE N N 121.461 0.400 1 593 365 60 LYS H H 8.103 0.040 1 594 365 60 LYS HA H 4.076 0.040 1 595 365 60 LYS HB2 H 1.904 0.040 2 596 365 60 LYS HB3 H 1.904 0.040 2 597 365 60 LYS HG2 H 1.525 0.040 2 598 365 60 LYS HG3 H 1.412 0.040 2 599 365 60 LYS HD2 H 1.643 0.040 2 600 365 60 LYS HD3 H 1.643 0.040 2 601 365 60 LYS HE2 H 2.942 0.040 2 602 365 60 LYS HE3 H 2.942 0.040 2 603 365 60 LYS C C 179.433 0.400 1 604 365 60 LYS CA C 59.315 0.059 1 605 365 60 LYS CB C 31.752 0.064 1 606 365 60 LYS CG C 25.153 0.400 1 607 365 60 LYS CD C 30.119 0.400 1 608 365 60 LYS CE C 42.139 0.400 1 609 365 60 LYS N N 120.861 0.400 1 610 366 61 LYS H H 8.297 0.040 1 611 366 61 LYS CA C 59.63 0.400 1 612 366 61 LYS CB C 32.281 0.400 1 613 366 61 LYS N N 120.289 0.400 1 614 367 62 GLN HA H 4.083 0.040 1 615 367 62 GLN HB2 H 2.104 0.040 2 616 367 62 GLN HB3 H 2.104 0.040 2 617 367 62 GLN HG2 H 2.495 0.040 2 618 367 62 GLN HG3 H 2.34 0.040 2 619 367 62 GLN C C 178.509 0.400 1 620 367 62 GLN CA C 59.022 0.400 1 621 367 62 GLN CB C 28.992 0.400 1 622 367 62 GLN CG C 34.582 0.400 1 623 368 63 ASN H H 8.289 0.040 1 624 368 63 ASN HA H 4.454 0.040 1 625 368 63 ASN HB2 H 2.824 0.040 2 626 368 63 ASN HB3 H 2.734 0.040 2 627 368 63 ASN C C 177.078 0.400 1 628 368 63 ASN CA C 56.001 0.018 1 629 368 63 ASN CB C 38.648 0.056 1 630 368 63 ASN N N 117.931 0.400 1 631 369 64 ALA H H 8.132 0.040 1 632 369 64 ALA HA H 4.105 0.040 1 633 369 64 ALA HB H 1.466 0.040 1 634 369 64 ALA C C 179.8 0.400 1 635 369 64 ALA CA C 55.326 0.002 1 636 369 64 ALA CB C 18.15 0.003 1 637 369 64 ALA N N 123.439 0.400 1 638 370 65 GLU H H 8.262 0.040 1 639 370 65 GLU HA H 3.942 0.040 1 640 370 65 GLU HB2 H 2.195 0.040 2 641 370 65 GLU HB3 H 2.051 0.040 2 642 370 65 GLU HG2 H 2.429 0.040 2 643 370 65 GLU HG3 H 2.429 0.040 2 644 370 65 GLU C C 178.561 0.400 1 645 370 65 GLU CA C 59.533 0.025 1 646 370 65 GLU CB C 29.5 0.028 1 647 370 65 GLU CG C 36.813 0.400 1 648 370 65 GLU N N 117.931 0.400 1 649 371 66 LYS H H 7.974 0.040 1 650 371 66 LYS HA H 4.013 0.040 1 651 371 66 LYS HB2 H 1.918 0.040 2 652 371 66 LYS HB3 H 1.918 0.040 2 653 371 66 LYS HG2 H 1.435 0.040 2 654 371 66 LYS HG3 H 1.435 0.040 2 655 371 66 LYS HD2 H 1.668 0.040 2 656 371 66 LYS HD3 H 1.561 0.040 2 657 371 66 LYS HE2 H 2.902 0.040 2 658 371 66 LYS HE3 H 2.902 0.040 2 659 371 66 LYS C C 178.215 0.400 1 660 371 66 LYS CA C 59.569 0.051 1 661 371 66 LYS CB C 32.353 0.083 1 662 371 66 LYS CG C 25.441 0.400 1 663 371 66 LYS CD C 29.616 0.400 1 664 371 66 LYS CE C 42.355 0.400 1 665 371 66 LYS N N 118.722 0.400 1 666 372 67 GLN H H 7.924 0.040 1 667 372 67 GLN HA H 4.007 0.040 1 668 372 67 GLN HB2 H 2.113 0.040 2 669 372 67 GLN HB3 H 2.113 0.040 2 670 372 67 GLN HG2 H 2.451 0.040 2 671 372 67 GLN HG3 H 2.346 0.040 2 672 372 67 GLN C C 178.317 0.400 1 673 372 67 GLN CA C 58.653 0.144 1 674 372 67 GLN CB C 28.578 0.001 1 675 372 67 GLN CG C 34.294 0.400 1 676 372 67 GLN N N 117.052 0.400 1 677 373 68 LEU H H 7.897 0.040 1 678 373 68 LEU HA H 4.124 0.040 1 679 373 68 LEU HB2 H 1.791 0.040 2 680 373 68 LEU HB3 H 1.791 0.040 2 681 373 68 LEU HG H 1.642 0.040 1 682 373 68 LEU HD1 H 0.862 0.040 2 683 373 68 LEU HD2 H 0.858 0.040 2 684 373 68 LEU C C 178.578 0.400 1 685 373 68 LEU CA C 57.866 0.142 1 686 373 68 LEU CB C 41.984 0.05 1 687 373 68 LEU CG C 27.168 0.400 1 688 373 68 LEU CD1 C 24.505 0.400 2 689 373 68 LEU CD2 C 24.218 0.400 2 690 373 68 LEU N N 120.216 0.400 1 691 374 69 LEU H H 7.9 0.040 1 692 374 69 LEU HA H 4.098 0.040 1 693 374 69 LEU HB2 H 1.815 0.040 2 694 374 69 LEU HB3 H 1.815 0.040 2 695 374 69 LEU HG H 1.64 0.040 1 696 374 69 LEU HD1 H 0.863 0.040 2 697 374 69 LEU HD2 H 0.873 0.040 2 698 374 69 LEU C C 179.137 0.400 1 699 374 69 LEU CA C 57.895 0.047 1 700 374 69 LEU CB C 41.937 0.009 1 701 374 69 LEU CG C 27.096 0.400 1 702 374 69 LEU CD1 C 25.009 0.400 2 703 374 69 LEU CD2 C 24.002 0.400 2 704 374 69 LEU N N 119.894 0.400 1 705 375 70 VAL H H 7.959 0.040 1 706 375 70 VAL HA H 3.77 0.040 1 707 375 70 VAL HB H 2.114 0.040 1 708 375 70 VAL HG1 H 0.918 0.040 2 709 375 70 VAL HG2 H 1.004 0.040 2 710 375 70 VAL C C 178.282 0.400 1 711 375 70 VAL CA C 65.307 0.017 1 712 375 70 VAL CB C 32.139 0.019 1 713 375 70 VAL CG1 C 21.986 0.400 2 714 375 70 VAL CG2 C 21.77 0.400 2 715 375 70 VAL N N 118.561 0.400 1 716 376 71 ALA H H 7.973 0.040 1 717 376 71 ALA HA H 4.166 0.040 1 718 376 71 ALA HB H 1.468 0.040 1 719 376 71 ALA C C 179.625 0.400 1 720 376 71 ALA CA C 54.406 0.024 1 721 376 71 ALA CB C 18.263 0.071 1 722 376 71 ALA N N 123.776 0.400 1 723 377 72 LYS H H 8.234 0.040 1 724 377 72 LYS HA H 4.083 0.040 1 725 377 72 LYS HB2 H 1.906 0.040 2 726 377 72 LYS HB3 H 1.906 0.040 2 727 377 72 LYS HG2 H 1.52 0.040 2 728 377 72 LYS HG3 H 1.412 0.040 2 729 377 72 LYS HD2 H 1.64 0.040 2 730 377 72 LYS HD3 H 1.64 0.040 2 731 377 72 LYS HE2 H 2.926 0.040 2 732 377 72 LYS HE3 H 2.926 0.040 2 733 377 72 LYS C C 178.212 0.400 1 734 377 72 LYS CA C 58.831 0.183 1 735 377 72 LYS CB C 32.84 0.036 1 736 377 72 LYS CG C 25.225 0.400 1 737 377 72 LYS CD C 29.688 0.400 1 738 377 72 LYS CE C 42.355 0.400 1 739 377 72 LYS N N 119.235 0.400 1 740 378 73 GLU H H 8.307 0.040 1 741 378 73 GLU HA H 4.127 0.040 1 742 378 73 GLU HB2 H 2.067 0.040 2 743 378 73 GLU HB3 H 2.067 0.040 2 744 378 73 GLU HG2 H 2.35 0.040 2 745 378 73 GLU HG3 H 2.24 0.040 2 746 378 73 GLU C C 178.578 0.400 1 747 378 73 GLU CA C 58.543 0.123 1 748 378 73 GLU CB C 29.736 0.06 1 749 378 73 GLU CG C 36.309 0.400 1 750 378 73 GLU N N 119.513 0.400 1 751 379 74 GLY H H 8.275 0.040 1 752 379 74 GLY HA2 H 3.873 0.040 2 753 379 74 GLY HA3 H 3.873 0.040 2 754 379 74 GLY C C 175.176 0.400 1 755 379 74 GLY CA C 46.613 0.003 1 756 379 74 GLY N N 107.427 0.400 1 757 380 75 ALA H H 8.007 0.040 1 758 380 75 ALA HA H 4.162 0.040 1 759 380 75 ALA HB H 1.445 0.040 1 760 380 75 ALA C C 179.154 0.400 1 761 380 75 ALA CA C 54.232 0.017 1 762 380 75 ALA CB C 18.668 0.011 1 763 380 75 ALA N N 123.205 0.400 1 764 381 76 GLU H H 8.169 0.040 1 765 381 76 GLU HA H 4.099 0.040 1 766 381 76 GLU HB2 H 2.045 0.040 2 767 381 76 GLU HB3 H 2.045 0.040 2 768 381 76 GLU HG2 H 2.345 0.040 2 769 381 76 GLU HG3 H 2.264 0.040 2 770 381 76 GLU C C 177.811 0.400 1 771 381 76 GLU CA C 58.259 0.400 1 772 381 76 GLU CB C 29.785 0.045 1 773 381 76 GLU CG C 36.453 0.400 1 774 381 76 GLU N N 117.36 0.400 1 775 382 77 LYS H H 7.924 0.040 1 776 382 77 LYS HA H 4.075 0.049 1 777 382 77 LYS HB2 H 1.863 0.040 2 778 382 77 LYS HB3 H 1.863 0.040 2 779 382 77 LYS HG2 H 1.526 0.040 2 780 382 77 LYS HG3 H 1.427 0.040 2 781 382 77 LYS HD2 H 1.661 0.040 2 782 382 77 LYS HD3 H 1.661 0.040 2 783 382 77 LYS HE2 H 2.954 0.040 2 784 382 77 LYS HE3 H 2.954 0.040 2 785 382 77 LYS C C 177.619 0.400 1 786 382 77 LYS CA C 58.343 0.168 1 787 382 77 LYS CB C 32.809 0.041 1 788 382 77 LYS CG C 25.585 0.400 1 789 382 77 LYS CD C 29.616 0.400 1 790 382 77 LYS CE C 42.499 0.400 1 791 382 77 LYS N N 118.942 0.400 1 792 383 78 ILE H H 7.614 0.040 1 793 383 78 ILE HB H 1.9 0.040 1 794 383 78 ILE HG12 H 1.47 0.040 2 795 383 78 ILE HG13 H 1.212 0.040 2 796 383 78 ILE HG2 H 0.864 0.040 1 797 383 78 ILE HD1 H 0.868 0.040 1 798 383 78 ILE C C 176.554 0.400 1 799 383 78 ILE CA C 62.277 0.028 1 800 383 78 ILE CB C 38.519 0.03 1 801 383 78 ILE CG1 C 28.076 0.400 1 802 383 78 ILE CG2 C 17.956 0.400 1 803 383 78 ILE CD1 C 13.493 0.400 1 804 383 78 ILE N N 117.682 0.400 1 805 384 79 LYS H H 7.878 0.040 1 806 384 79 LYS HA H 4.197 0.040 1 807 384 79 LYS HB2 H 1.816 0.040 2 808 384 79 LYS HB3 H 1.785 0.040 2 809 384 79 LYS HG2 H 1.486 0.040 2 810 384 79 LYS HG3 H 1.389 0.040 2 811 384 79 LYS HD2 H 1.641 0.040 2 812 384 79 LYS HD3 H 1.641 0.040 2 813 384 79 LYS HE2 H 2.941 0.040 2 814 384 79 LYS HE3 H 2.941 0.040 2 815 384 79 LYS C C 176.52 0.400 1 816 384 79 LYS CA C 57.09 0.104 1 817 384 79 LYS CB C 33.078 0.069 1 818 384 79 LYS CG C 25.313 0.400 1 819 384 79 LYS CD C 29.582 0.400 1 820 384 79 LYS CE C 42.43 0.400 1 821 384 79 LYS N N 122.252 0.400 1 822 385 80 LYS H H 7.928 0.040 1 823 385 80 LYS HA H 4.256 0.040 1 824 385 80 LYS HB2 H 1.835 0.040 2 825 385 80 LYS HB3 H 1.743 0.040 2 826 385 80 LYS HG2 H 1.415 0.040 2 827 385 80 LYS HG3 H 1.415 0.040 2 828 385 80 LYS HD2 H 1.639 0.040 2 829 385 80 LYS HD3 H 1.639 0.040 2 830 385 80 LYS HE2 H 2.953 0.040 2 831 385 80 LYS HE3 H 2.953 0.040 2 832 385 80 LYS C C 176.066 0.400 1 833 385 80 LYS CA C 56.639 0.07 1 834 385 80 LYS CB C 33.319 0.081 1 835 385 80 LYS CG C 25.161 0.400 1 836 385 80 LYS CD C 29.488 0.400 1 837 385 80 LYS CE C 42.388 0.400 1 838 385 80 LYS N N 120.582 0.400 1 839 386 81 LYS H H 8.082 0.040 1 840 386 81 LYS HA H 4.248 0.040 1 841 386 81 LYS HB2 H 1.841 0.040 2 842 386 81 LYS HB3 H 1.75 0.040 2 843 386 81 LYS HG2 H 1.415 0.040 2 844 386 81 LYS HG3 H 1.415 0.040 2 845 386 81 LYS HD2 H 1.633 0.040 2 846 386 81 LYS HD3 H 1.633 0.040 2 847 386 81 LYS HE2 H 2.966 0.040 2 848 386 81 LYS HE3 H 2.966 0.040 2 849 386 81 LYS C C 175.298 0.400 1 850 386 81 LYS CA C 56.839 0.015 1 851 386 81 LYS CB C 33.303 0.016 1 852 386 81 LYS CG C 24.966 0.400 1 853 386 81 LYS CD C 29.496 0.400 1 854 386 81 LYS CE C 42.444 0.400 1 855 386 81 LYS N N 122.326 0.400 1 856 387 82 ARG H H 7.827 0.040 1 857 387 82 ARG CA C 57.659 0.400 1 858 387 82 ARG CB C 31.838 0.400 1 859 387 82 ARG N N 126.984 0.400 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH TOCSY' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name STIM1_CC1-CC2 _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 -5 1 GLY HA2 H 3.894 0.040 2 2 -5 1 GLY HA3 H 3.894 0.040 2 3 -5 1 GLY CA C 43.357 0.400 1 4 -4 2 SER HA H 4.546 0.040 1 5 -4 2 SER HB2 H 3.883 0.040 2 6 -4 2 SER HB3 H 3.883 0.040 2 7 -4 2 SER CA C 58.148 0.400 1 8 -4 2 SER CB C 63.863 0.400 1 9 -3 3 HIS HA H 4.688 0.009 1 10 -3 3 HIS HB2 H 3.197 0.012 2 11 -3 3 HIS HB3 H 3.143 0.040 2 12 -3 3 HIS HD2 H 7.097 0.001 1 13 -3 3 HIS C C 174.845 0.400 1 14 -3 3 HIS CA C 56.419 0.400 1 15 -3 3 HIS CB C 30.367 0.006 1 16 -3 3 HIS CD2 C 119.438 0.400 1 17 -2 4 MET H H 8.437 0.040 1 18 -2 4 MET HA H 4.467 0.040 1 19 -2 4 MET HB2 H 2.104 0.040 2 20 -2 4 MET HB3 H 1.998 0.040 2 21 -2 4 MET HG2 H 2.555 0.040 2 22 -2 4 MET HG3 H 2.494 0.040 2 23 -2 4 MET HE H 2.123 0.040 1 24 -2 4 MET C C 175.874 0.400 1 25 -2 4 MET CA C 55.6 0.400 1 26 -2 4 MET CB C 32.879 0.002 1 27 -2 4 MET CG C 31.875 0.007 1 28 -2 4 MET CE C 16.736 0.400 1 29 -2 4 MET N N 121.3 0.400 1 30 -1 5 ALA H H 8.451 0.040 1 31 -1 5 ALA HA H 4.367 0.040 1 32 -1 5 ALA HB H 1.465 0.040 1 33 -1 5 ALA C C 177.793 0.400 1 34 -1 5 ALA CA C 52.825 0.400 1 35 -1 5 ALA CB C 19.032 0.400 1 36 -1 5 ALA N N 124.904 0.400 1 37 0 6 SER H H 8.315 0.040 1 38 0 6 SER HA H 4.5 0.040 1 39 0 6 SER HB2 H 3.999 0.040 2 40 0 6 SER HB3 H 3.921 0.040 2 41 0 6 SER C C 174.845 0.400 1 42 0 6 SER CA C 58.47 0.400 1 43 0 6 SER CB C 63.712 0.002 1 44 0 6 SER N N 114.122 0.400 1 45 312 7 SER H H 8.344 0.040 1 46 312 7 SER HA H 4.5 0.040 1 47 312 7 SER HB2 H 3.994 0.040 2 48 312 7 SER HB3 H 3.934 0.040 2 49 312 7 SER C C 174.757 0.400 1 50 312 7 SER CA C 58.651 0.400 1 51 312 7 SER CB C 63.604 0.001 1 52 312 7 SER N N 117.154 0.400 1 53 313 8 ARG H H 8.374 0.040 1 54 313 8 ARG HA H 4.345 0.040 1 55 313 8 ARG HB2 H 1.939 0.040 2 56 313 8 ARG HB3 H 1.835 0.040 2 57 313 8 ARG HG2 H 1.711 0.040 2 58 313 8 ARG HG3 H 1.661 0.040 2 59 313 8 ARG HD2 H 3.222 0.040 2 60 313 8 ARG HD3 H 3.222 0.040 2 61 313 8 ARG C C 176.677 0.400 1 62 313 8 ARG CA C 56.816 0.400 1 63 313 8 ARG CB C 30.434 0.007 1 64 313 8 ARG CG C 27.112 0.005 1 65 313 8 ARG CD C 43.102 0.400 1 66 313 8 ARG N N 121.93 0.400 1 67 314 9 GLN H H 8.334 0.040 1 68 314 9 GLN HA H 4.268 0.040 1 69 314 9 GLN HB2 H 2.053 0.040 2 70 314 9 GLN HB3 H 2.053 0.040 2 71 314 9 GLN HG2 H 2.373 0.040 2 72 314 9 GLN HG3 H 2.373 0.040 2 73 314 9 GLN C C 176.188 0.400 1 74 314 9 GLN CA C 56.933 0.400 1 75 314 9 GLN CB C 29.088 0.400 1 76 314 9 GLN CG C 33.702 0.400 1 77 314 9 GLN N N 120.172 0.400 1 78 315 10 LYS H H 8.181 0.040 1 79 315 10 LYS HA H 4.253 0.040 1 80 315 10 LYS HB2 H 1.772 0.040 2 81 315 10 LYS HB3 H 1.772 0.040 2 82 315 10 LYS HG2 H 1.411 0.040 2 83 315 10 LYS HG3 H 1.339 0.040 2 84 315 10 LYS HD2 H 1.607 0.040 2 85 315 10 LYS HD3 H 1.607 0.040 2 86 315 10 LYS HE2 H 2.994 0.040 2 87 315 10 LYS HE3 H 2.994 0.040 2 88 315 10 LYS C C 176.868 0.400 1 89 315 10 LYS CA C 56.844 0.400 1 90 315 10 LYS CB C 32.906 0.400 1 91 315 10 LYS CG C 24.603 0.004 1 92 315 10 LYS CD C 28.352 0.400 1 93 315 10 LYS CE C 41.855 0.400 1 94 315 10 LYS N N 120.875 0.400 1 95 316 11 TYR H H 8.191 0.040 1 96 316 11 TYR HA H 4.605 0.001 1 97 316 11 TYR HB2 H 3.215 0.007 2 98 316 11 TYR HB3 H 2.982 0.003 2 99 316 11 TYR HD1 H 7.177 0.001 3 100 316 11 TYR HE2 H 6.852 0.002 3 101 316 11 TYR C C 176.607 0.400 1 102 316 11 TYR CA C 58.418 0.400 1 103 316 11 TYR CB C 38.679 0.004 1 104 316 11 TYR CD1 C 133.244 0.400 3 105 316 11 TYR CE2 C 118.376 0.400 3 106 316 11 TYR N N 119.63 0.400 1 107 317 12 ALA H H 8.459 0.040 1 108 317 12 ALA HA H 4.309 0.040 1 109 317 12 ALA HB H 1.524 0.040 1 110 317 12 ALA C C 179.032 0.400 1 111 317 12 ALA CA C 53.93 0.400 1 112 317 12 ALA CB C 18.636 0.400 1 113 317 12 ALA N N 123.747 0.400 1 114 318 13 GLU H H 8.721 0.040 1 115 318 13 GLU HA H 4.07 0.040 1 116 318 13 GLU HB2 H 2.159 0.040 2 117 318 13 GLU HB3 H 2.159 0.040 2 118 318 13 GLU HG2 H 2.412 0.040 2 119 318 13 GLU HG3 H 2.412 0.040 2 120 318 13 GLU C C 178.247 0.400 1 121 318 13 GLU CA C 59.536 0.400 1 122 318 13 GLU CB C 29.603 0.400 1 123 318 13 GLU CG C 36.634 0.400 1 124 318 13 GLU N N 118.341 0.400 1 125 319 14 GLU H H 8.441 0.040 1 126 319 14 GLU HA H 4.162 0.040 1 127 319 14 GLU HB2 H 2.196 0.040 2 128 319 14 GLU HB3 H 2.151 0.040 2 129 319 14 GLU HG2 H 2.458 0.040 2 130 319 14 GLU HG3 H 2.381 0.040 2 131 319 14 GLU C C 178.875 0.400 1 132 319 14 GLU CA C 59.274 0.400 1 133 319 14 GLU CB C 29.432 0.400 1 134 319 14 GLU CG C 36.571 0.001 1 135 319 14 GLU N N 118.808 0.400 1 136 320 15 GLU H H 8.284 0.040 1 137 320 15 GLU HA H 4.139 0.040 1 138 320 15 GLU HB2 H 2.268 0.040 2 139 320 15 GLU HB3 H 2.165 0.040 2 140 320 15 GLU HG2 H 2.359 0.040 2 141 320 15 GLU HG3 H 2.359 0.040 2 142 320 15 GLU C C 178.509 0.400 1 143 320 15 GLU CA C 59.345 0.400 1 144 320 15 GLU CB C 29.389 0.002 1 145 320 15 GLU CG C 36.275 0.400 1 146 320 15 GLU N N 119.996 0.400 1 147 321 16 LEU H H 8.158 0.040 1 148 321 16 LEU HA H 4.192 0.040 1 149 321 16 LEU HB3 H 1.85 0.040 2 150 321 16 LEU HD1 H 0.9 0.040 2 151 321 16 LEU HD2 H 0.907 0.040 2 152 321 16 LEU C C 178.683 0.400 1 153 321 16 LEU CA C 57.888 0.400 1 154 321 16 LEU CB C 41.633 0.001 1 155 321 16 LEU CD1 C 24.433 0.400 2 156 321 16 LEU CD2 C 24.49 0.400 2 157 321 16 LEU N N 119.147 0.400 1 158 322 17 GLU H H 8.222 0.040 1 159 322 17 GLU HA H 4.143 0.040 1 160 322 17 GLU HB2 H 2.258 0.040 2 161 322 17 GLU HB3 H 2.22 0.040 2 162 322 17 GLU HG2 H 2.464 0.040 2 163 322 17 GLU HG3 H 2.464 0.040 2 164 322 17 GLU C C 179.032 0.400 1 165 322 17 GLU CA C 59.274 0.400 1 166 322 17 GLU CB C 29.13 0.400 1 167 322 17 GLU CG C 35.813 0.400 1 168 322 17 GLU N N 119.055 0.400 1 169 323 18 GLN H H 7.981 0.040 1 170 323 18 GLN HA H 4.145 0.040 1 171 323 18 GLN HB2 H 2.327 0.040 2 172 323 18 GLN HB3 H 2.24 0.040 2 173 323 18 GLN HG2 H 2.612 0.040 2 174 323 18 GLN HG3 H 2.492 0.040 2 175 323 18 GLN C C 179.154 0.400 1 176 323 18 GLN CA C 58.986 0.400 1 177 323 18 GLN CB C 28.24 0.003 1 178 323 18 GLN CG C 34.143 0.003 1 179 323 18 GLN N N 118.092 0.400 1 180 324 19 VAL H H 8.137 0.040 1 181 324 19 VAL HA H 3.721 0.040 1 182 324 19 VAL HB H 2.274 0.040 1 183 324 19 VAL HG1 H 1.068 0.040 2 184 324 19 VAL HG2 H 0.94 0.040 2 185 324 19 VAL C C 177.497 0.400 1 186 324 19 VAL CA C 66.486 0.400 1 187 324 19 VAL CB C 31.534 0.400 1 188 324 19 VAL CG1 C 22.225 0.400 2 189 324 19 VAL CG2 C 21.085 0.400 2 190 324 19 VAL N N 121.608 0.400 1 191 325 20 ARG H H 8.512 0.040 1 192 325 20 ARG HA H 3.888 0.040 1 193 325 20 ARG HB2 H 1.9 0.040 2 194 325 20 ARG HG2 H 1.526 0.040 2 195 325 20 ARG HG3 H 1.758 0.040 2 196 325 20 ARG HD2 H 2.991 0.040 2 197 325 20 ARG HD3 H 2.991 0.040 2 198 325 20 ARG C C 178.317 0.400 1 199 325 20 ARG CA C 60.304 0.400 1 200 325 20 ARG CB C 29.997 0.003 1 201 325 20 ARG CG C 27.969 0.400 1 202 325 20 ARG CD C 43.39 0.400 1 203 325 20 ARG N N 119.044 0.400 1 204 326 21 GLU H H 8.216 0.040 1 205 326 21 GLU HA H 4.182 0.040 1 206 326 21 GLU HB2 H 2.2 0.040 2 207 326 21 GLU HB3 H 2.2 0.040 2 208 326 21 GLU HG2 H 2.42 0.040 2 209 326 21 GLU HG3 H 2.32 0.040 2 210 326 21 GLU C C 178.613 0.400 1 211 326 21 GLU CA C 58.988 0.400 1 212 326 21 GLU CB C 29.219 0.400 1 213 326 21 GLU CG C 35.786 0.400 1 214 326 21 GLU N N 118.063 0.400 1 215 327 22 ALA H H 8.144 0.040 1 216 327 22 ALA HA H 4.183 0.040 1 217 327 22 ALA HB H 1.628 0.040 1 218 327 22 ALA C C 180.969 0.400 1 219 327 22 ALA CA C 55.366 0.400 1 220 327 22 ALA CB C 17.548 0.400 1 221 327 22 ALA N N 123.324 0.400 1 222 328 23 LEU H H 8.693 0.040 1 223 328 23 LEU HA H 4.219 0.040 1 224 328 23 LEU HB2 H 1.587 0.040 2 225 328 23 LEU HB3 H 2.011 0.040 2 226 328 23 LEU HG H 1.911 0.040 1 227 328 23 LEU HD1 H 0.805 0.040 2 228 328 23 LEU HD2 H 0.823 0.040 2 229 328 23 LEU C C 179.643 0.400 1 230 328 23 LEU CA C 58.274 0.400 1 231 328 23 LEU CB C 41.431 0.400 1 232 328 23 LEU CG C 26.806 0.400 1 233 328 23 LEU CD1 C 25.583 0.400 2 234 328 23 LEU CD2 C 22.645 0.400 2 235 328 23 LEU N N 119.249 0.400 1 236 329 24 ARG H H 8.419 0.040 1 237 329 24 ARG HA H 4.235 0.040 1 238 329 24 ARG HB2 H 2.009 0.040 2 239 329 24 ARG HB3 H 2.084 0.040 2 240 329 24 ARG HG2 H 1.737 0.040 2 241 329 24 ARG HG3 H 1.922 0.040 2 242 329 24 ARG HD2 H 3.247 0.040 2 243 329 24 ARG HD3 H 3.292 0.040 2 244 329 24 ARG C C 179.503 0.400 1 245 329 24 ARG CA C 59.335 0.400 1 246 329 24 ARG CB C 30.084 0.400 1 247 329 24 ARG CG C 27.687 0.400 1 248 329 24 ARG CD C 43.34 0.400 1 249 329 24 ARG N N 120.249 0.400 1 250 330 25 LYS H H 8.224 0.040 1 251 330 25 LYS HA H 4.034 0.040 1 252 330 25 LYS HB2 H 2.009 0.040 2 253 330 25 LYS HB3 H 1.995 0.040 2 254 330 25 LYS HG2 H 1.723 0.040 2 255 330 25 LYS HG3 H 1.483 0.040 2 256 330 25 LYS HD2 H 1.756 0.040 2 257 330 25 LYS HD3 H 1.756 0.040 2 258 330 25 LYS C C 179.032 0.400 1 259 330 25 LYS CA C 59.89 0.400 1 260 330 25 LYS CB C 32.224 0.400 1 261 330 25 LYS CG C 25.608 0.400 1 262 330 25 LYS CD C 29.303 0.400 1 263 330 25 LYS CE C 42.421 0.400 1 264 330 25 LYS N N 119.85 0.400 1 265 331 26 ALA H H 8.296 0.040 1 266 331 26 ALA HA H 4.153 0.040 1 267 331 26 ALA HB H 1.569 0.040 1 268 331 26 ALA C C 179.276 0.400 1 269 331 26 ALA CA C 54.866 0.400 1 270 331 26 ALA CB C 17.854 0.400 1 271 331 26 ALA N N 122.296 0.400 1 272 332 27 GLU H H 8.451 0.040 1 273 332 27 GLU HA H 3.63 0.040 1 274 332 27 GLU HB2 H 2.193 0.040 2 275 332 27 GLU HB3 H 2.193 0.040 2 276 332 27 GLU HG2 H 2.292 0.040 2 277 332 27 GLU HG3 H 2.174 0.040 2 278 332 27 GLU C C 178.142 0.400 1 279 332 27 GLU CA C 59.615 0.400 1 280 332 27 GLU CB C 29.154 0.400 1 281 332 27 GLU CG C 35.457 0.400 1 282 332 27 GLU N N 118.063 0.400 1 283 333 28 LYS H H 7.834 0.040 1 284 333 28 LYS HA H 4.089 0.040 1 285 333 28 LYS HB2 H 1.985 0.040 2 286 333 28 LYS HB3 H 1.985 0.040 2 287 333 28 LYS HG2 H 1.607 0.040 2 288 333 28 LYS HG3 H 1.607 0.040 2 289 333 28 LYS HD2 H 1.536 0.040 2 290 333 28 LYS HD3 H 1.536 0.040 2 291 333 28 LYS C C 179.66 0.400 1 292 333 28 LYS CA C 58.239 0.400 1 293 333 28 LYS CB C 31.681 0.400 1 294 333 28 LYS CG C 24.544 0.400 1 295 333 28 LYS CD C 28.603 0.400 1 296 333 28 LYS CE C 42.38 0.400 1 297 333 28 LYS N N 117.403 0.400 1 298 334 29 GLU H H 8.051 0.040 1 299 334 29 GLU HA H 4.149 0.040 1 300 334 29 GLU HB2 H 2.191 0.040 2 301 334 29 GLU HB3 H 2.165 0.040 2 302 334 29 GLU HG2 H 2.36 0.040 2 303 334 29 GLU HG3 H 2.36 0.040 2 304 334 29 GLU C C 179.102 0.400 1 305 334 29 GLU CA C 58.914 0.400 1 306 334 29 GLU CB C 29.102 0.400 1 307 334 29 GLU CG C 35.757 0.400 1 308 334 29 GLU N N 120.483 0.400 1 309 335 30 LEU H H 8.319 0.040 1 310 335 30 LEU HA H 3.987 0.040 1 311 335 30 LEU HB2 H 1.376 0.040 2 312 335 30 LEU HB3 H 1.702 0.040 2 313 335 30 LEU HG H 1.576 0.040 1 314 335 30 LEU HD1 H 0.533 0.040 2 315 335 30 LEU HD2 H 0.575 0.040 2 316 335 30 LEU C C 179.311 0.400 1 317 335 30 LEU CA C 57.763 0.400 1 318 335 30 LEU CB C 41.481 0.400 1 319 335 30 LEU CG C 26.742 0.400 1 320 335 30 LEU CD1 C 24.551 0.400 2 321 335 30 LEU CD2 C 22.997 0.400 2 322 335 30 LEU N N 120.905 0.400 1 323 336 31 GLU H H 8.273 0.040 1 324 336 31 GLU HA H 4.015 0.040 1 325 336 31 GLU HB2 H 2.129 0.040 2 326 336 31 GLU HB3 H 2.129 0.040 2 327 336 31 GLU HG2 H 2.378 0.040 2 328 336 31 GLU HG3 H 2.28 0.040 2 329 336 31 GLU C C 178.369 0.400 1 330 336 31 GLU CA C 58.617 0.400 1 331 336 31 GLU CB C 29.3 0.400 1 332 336 31 GLU CG C 36.02 0.400 1 333 336 31 GLU N N 117.321 0.400 1 334 337 32 SER H H 7.924 0.040 1 335 337 32 SER HA H 4.354 0.040 1 336 337 32 SER HB2 H 3.835 0.040 2 337 337 32 SER HB3 H 3.835 0.040 2 338 337 32 SER C C 174.792 0.400 1 339 337 32 SER CA C 59.785 0.400 1 340 337 32 SER CB C 63.423 0.001 1 341 337 32 SER N N 112.613 0.400 1 342 338 33 HIS H H 7.967 0.040 1 343 338 33 HIS HA H 4.734 0.004 1 344 338 33 HIS HB2 H 3.075 0.040 2 345 338 33 HIS HB3 H 3.046 0.040 2 346 338 33 HIS HD2 H 7.041 0.002 1 347 338 33 HIS C C 174.827 0.400 1 348 338 33 HIS CA C 55.285 0.400 1 349 338 33 HIS CB C 28.973 0.400 1 350 338 33 HIS CD2 C 119.704 0.400 1 351 338 33 HIS N N 118.649 0.400 1 352 339 34 SER H H 8.09 0.040 1 353 339 34 SER HA H 4.349 0.040 1 354 339 34 SER HB2 H 3.935 0.040 2 355 339 34 SER HB3 H 3.935 0.040 2 356 339 34 SER C C 175.159 0.400 1 357 339 34 SER CA C 60.256 0.400 1 358 339 34 SER CB C 63.229 0.001 1 359 339 34 SER N N 115.44 0.400 1 360 340 35 SER H H 8.25 0.040 1 361 340 35 SER HA H 4.434 0.040 1 362 340 35 SER HB2 H 3.861 0.040 2 363 340 35 SER HB3 H 3.861 0.040 2 364 340 35 SER C C 174.531 0.400 1 365 340 35 SER CA C 59.129 0.400 1 366 340 35 SER CB C 63.726 0.002 1 367 340 35 SER N N 115.411 0.400 1 368 341 36 TRP H H 8.077 0.040 1 369 341 36 TRP HA H 4.61 0.002 1 370 341 36 TRP HB2 H 3.142 0.01 2 371 341 36 TRP HB3 H 3.119 0.001 2 372 341 36 TRP HD1 H 7.09 0.01 1 373 341 36 TRP HE1 H 9.991 0.008 1 374 341 36 TRP HE3 H 7.474 0.003 1 375 341 36 TRP C C 175.473 0.400 1 376 341 36 TRP CA C 57.122 0.400 1 377 341 36 TRP CB C 29.421 0.400 1 378 341 36 TRP CD1 C 126.341 0.400 1 379 341 36 TRP CE3 C 120.235 0.400 1 380 341 36 TRP N N 121.124 0.400 1 381 341 36 TRP NE1 N 127.981 0.400 1 382 342 37 TYR H H 7.63 0.040 1 383 342 37 TYR HA H 4.576 0.003 1 384 342 37 TYR HB2 H 2.939 0.002 2 385 342 37 TYR HB3 H 2.787 0.005 2 386 342 37 TYR HD2 H 7.043 0.001 3 387 342 37 TYR HE1 H 6.805 0.003 3 388 342 37 TYR C C 174.565 0.400 1 389 342 37 TYR CA C 57.197 0.400 1 390 342 37 TYR CB C 39.357 0.01 1 391 342 37 TYR CD2 C 133.244 0.400 3 392 342 37 TYR CE1 C 118.376 0.400 3 393 342 37 TYR N N 118.854 0.400 1 394 343 38 ALA H H 8.05 0.040 1 395 343 38 ALA HA H 4.57 0.040 1 396 343 38 ALA HB H 1.491 0.040 1 397 343 38 ALA CA C 51.068 0.400 1 398 343 38 ALA CB C 17.99 0.400 1 399 343 38 ALA N N 125.05 0.400 1 400 344 39 PRO HA H 4.309 0.040 1 401 344 39 PRO HB2 H 2.381 0.040 2 402 344 39 PRO HB3 H 1.989 0.040 2 403 344 39 PRO HG2 H 2.186 0.040 2 404 344 39 PRO HG3 H 2.071 0.040 2 405 344 39 PRO HD2 H 3.774 0.040 2 406 344 39 PRO HD3 H 3.742 0.040 2 407 344 39 PRO C C 178.317 0.400 1 408 344 39 PRO CA C 65.414 0.400 1 409 344 39 PRO CB C 31.182 0.400 1 410 344 39 PRO CG C 27.677 0.400 1 411 344 39 PRO CD C 50.25 0.001 1 412 345 40 GLU H H 8.986 0.040 1 413 345 40 GLU HA H 4.133 0.040 1 414 345 40 GLU HB2 H 2.104 0.040 2 415 345 40 GLU HB3 H 2.104 0.040 2 416 345 40 GLU HG2 H 2.388 0.040 2 417 345 40 GLU HG3 H 2.388 0.040 2 418 345 40 GLU C C 178.177 0.400 1 419 345 40 GLU CA C 59.55 0.400 1 420 345 40 GLU CB C 29.021 0.400 1 421 345 40 GLU CG C 36.518 0.400 1 422 345 40 GLU N N 117.213 0.400 1 423 346 41 ALA H H 7.967 0.040 1 424 346 41 ALA HA H 4.173 0.040 1 425 346 41 ALA HB H 1.542 0.040 1 426 346 41 ALA C C 179.398 0.400 1 427 346 41 ALA CA C 54.901 0.400 1 428 346 41 ALA CB C 18.534 0.400 1 429 346 41 ALA N N 121.754 0.400 1 430 347 42 LEU H H 7.852 0.040 1 431 347 42 LEU HA H 3.856 0.040 1 432 347 42 LEU HB2 H 1.53 0.040 2 433 347 42 LEU HB3 H 2.032 0.040 2 434 347 42 LEU HG H 1.986 0.040 1 435 347 42 LEU HD1 H 0.979 0.040 2 436 347 42 LEU HD2 H 0.944 0.040 2 437 347 42 LEU C C 179.468 0.400 1 438 347 42 LEU CA C 58.088 0.400 1 439 347 42 LEU CB C 41.703 0.002 1 440 347 42 LEU CG C 27.025 0.400 1 441 347 42 LEU CD1 C 22.975 0.400 2 442 347 42 LEU CD2 C 25.035 0.400 2 443 347 42 LEU N N 118.18 0.400 1 444 348 43 GLN H H 8.22 0.040 1 445 348 43 GLN HA H 4.034 0.040 1 446 348 43 GLN HB2 H 2.203 0.040 2 447 348 43 GLN HB3 H 2.203 0.040 2 448 348 43 GLN HG2 H 2.514 0.040 2 449 348 43 GLN HG3 H 2.414 0.040 2 450 348 43 GLN C C 178.596 0.400 1 451 348 43 GLN CA C 59.461 0.400 1 452 348 43 GLN CB C 28.534 0.400 1 453 348 43 GLN CG C 33.822 0.003 1 454 348 43 GLN N N 118.557 0.400 1 455 349 44 LYS H H 8.033 0.040 1 456 349 44 LYS HA H 4.149 0.040 1 457 349 44 LYS HB2 H 2.016 0.040 2 458 349 44 LYS HB3 H 2.016 0.040 2 459 349 44 LYS HG2 H 1.606 0.040 2 460 349 44 LYS HG3 H 1.606 0.040 2 461 349 44 LYS HD2 H 1.74 0.040 2 462 349 44 LYS HD3 H 1.74 0.040 2 463 349 44 LYS HE2 H 3.084 0.040 2 464 349 44 LYS HE3 H 3.084 0.040 2 465 349 44 LYS C C 178.299 0.400 1 466 349 44 LYS CA C 59.158 0.400 1 467 349 44 LYS CB C 31.931 0.400 1 468 349 44 LYS CG C 24.912 0.400 1 469 349 44 LYS CD C 28.336 0.400 1 470 349 44 LYS CE C 42.283 0.400 1 471 349 44 LYS N N 118.707 0.400 1 472 350 45 TRP H H 8.371 0.040 1 473 350 45 TRP HA H 4.304 0.001 1 474 350 45 TRP HB2 H 3.593 0.040 2 475 350 45 TRP HB3 H 3.342 0.040 2 476 350 45 TRP HD1 H 6.997 0.001 1 477 350 45 TRP HE1 H 9.85 0.008 1 478 350 45 TRP HZ3 H 6.971 0.002 1 479 350 45 TRP HH2 H 7.333 0.003 1 480 350 45 TRP C C 179.084 0.400 1 481 350 45 TRP CA C 61.406 0.400 1 482 350 45 TRP CB C 28.995 0.009 1 483 350 45 TRP CD1 C 125.545 0.400 1 484 350 45 TRP CZ3 C 122.093 0.400 1 485 350 45 TRP N N 120.963 0.400 1 486 350 45 TRP NE1 N 126.809 0.400 1 487 351 46 LEU H H 8.928 0.040 1 488 351 46 LEU HA H 4.23 0.040 1 489 351 46 LEU HB2 H 1.852 0.040 2 490 351 46 LEU HB3 H 1.696 0.040 2 491 351 46 LEU HD1 H 0.951 0.040 2 492 351 46 LEU HD2 H 0.898 0.040 2 493 351 46 LEU C C 178.509 0.400 1 494 351 46 LEU CA C 58.31 0.400 1 495 351 46 LEU CB C 41.787 0.007 1 496 351 46 LEU CD1 C 23.867 0.400 2 497 351 46 LEU CD2 C 24.023 0.400 2 498 351 46 LEU N N 120.875 0.400 1 499 352 47 GLN H H 8.181 0.040 1 500 352 47 GLN HA H 4.058 0.040 1 501 352 47 GLN HB2 H 2.375 0.040 2 502 352 47 GLN HB3 H 2.259 0.040 2 503 352 47 GLN HG2 H 2.615 0.040 2 504 352 47 GLN HG3 H 2.615 0.040 2 505 352 47 GLN C C 178.561 0.400 1 506 352 47 GLN CA C 59.42 0.400 1 507 352 47 GLN CB C 28.241 0.002 1 508 352 47 GLN CG C 33.726 0.400 1 509 352 47 GLN N N 116.803 0.400 1 510 353 48 LEU H H 8.484 0.040 1 511 353 48 LEU HA H 4.118 0.040 1 512 353 48 LEU HB2 H 1.783 0.040 2 513 353 48 LEU HB3 H 1.651 0.040 2 514 353 48 LEU HD1 H 0.876 0.040 2 515 353 48 LEU C C 178.666 0.400 1 516 353 48 LEU CA C 57.609 0.400 1 517 353 48 LEU CB C 41.865 0.004 1 518 353 48 LEU CD1 C 23.86 0.400 2 519 353 48 LEU CD2 C 24.165 0.400 2 520 353 48 LEU N N 121.08 0.400 1 521 354 49 THR H H 8.328 0.040 1 522 354 49 THR HA H 3.643 0.040 1 523 354 49 THR HB H 3.896 0.040 1 524 354 49 THR HG2 H 0.719 0.040 1 525 354 49 THR C C 175.857 0.400 1 526 354 49 THR CA C 66.367 0.400 1 527 354 49 THR CB C 68.36 0.400 1 528 354 49 THR CG2 C 21.094 0.400 1 529 354 49 THR N N 111.749 0.400 1 530 355 50 HIS H H 8.068 0.040 1 531 355 50 HIS HA H 4.451 0.040 1 532 355 50 HIS HB2 H 3.412 0.001 2 533 355 50 HIS HB3 H 3.343 0.001 2 534 355 50 HIS HD2 H 7.264 0.001 1 535 355 50 HIS CA C 59.056 0.400 1 536 355 50 HIS CB C 28.177 0.400 1 537 355 50 HIS CD2 C 120.235 0.400 1 538 355 50 HIS N N 119.352 0.400 1 539 356 51 GLU HA H 4.001 0.040 1 540 356 51 GLU HB3 H 2.186 0.040 2 541 356 51 GLU HG2 H 2.442 0.040 2 542 356 51 GLU HG3 H 2.293 0.040 2 543 356 51 GLU C C 179.154 0.400 1 544 356 51 GLU CA C 59.265 0.400 1 545 356 51 GLU CB C 29.034 0.400 1 546 356 51 GLU CG C 36.559 0.400 1 547 357 52 VAL H H 8.341 0.040 1 548 357 52 VAL HA H 3.606 0.040 1 549 357 52 VAL HB H 2.145 0.040 1 550 357 52 VAL HG1 H 0.988 0.040 2 551 357 52 VAL HG2 H 0.881 0.040 2 552 357 52 VAL C C 177.479 0.400 1 553 357 52 VAL CA C 66.696 0.400 1 554 357 52 VAL CB C 31.433 0.400 1 555 357 52 VAL CG1 C 22.871 0.400 2 556 357 52 VAL CG2 C 21.232 0.400 2 557 357 52 VAL N N 119.311 0.400 1 558 358 53 GLU H H 8.115 0.040 1 559 358 53 GLU HA H 4.114 0.040 1 560 358 53 GLU HB2 H 2.19 0.040 2 561 358 53 GLU HB3 H 2.19 0.040 2 562 358 53 GLU HG2 H 2.466 0.040 2 563 358 53 GLU HG3 H 2.339 0.040 2 564 358 53 GLU C C 178.892 0.400 1 565 358 53 GLU CA C 59.519 0.400 1 566 358 53 GLU CB C 29.334 0.400 1 567 358 53 GLU CG C 36.312 0.400 1 568 358 53 GLU N N 119.674 0.400 1 569 359 54 VAL H H 8.211 0.040 1 570 359 54 VAL HA H 3.722 0.040 1 571 359 54 VAL HB H 2.126 0.040 1 572 359 54 VAL HG1 H 0.857 0.040 2 573 359 54 VAL HG2 H 0.963 0.040 2 574 359 54 VAL C C 176.031 0.400 1 575 359 54 VAL CA C 66.436 0.400 1 576 359 54 VAL CB C 31.72 0.400 1 577 359 54 VAL CG1 C 22.347 0.400 2 578 359 54 VAL CG2 C 21.11 0.400 2 579 359 54 VAL N N 118.356 0.400 1 580 360 55 GLN H H 8.213 0.040 1 581 360 55 GLN HA H 4.218 0.040 1 582 360 55 GLN HB2 H 2.237 0.040 2 583 360 55 GLN HB3 H 2.237 0.040 2 584 360 55 GLN HG2 H 2.526 0.040 2 585 360 55 GLN HG3 H 2.526 0.040 2 586 360 55 GLN C C 178.369 0.400 1 587 360 55 GLN CA C 58.882 0.400 1 588 360 55 GLN CB C 27.908 0.400 1 589 360 55 GLN CG C 33.378 0.400 1 590 360 55 GLN N N 119.015 0.400 1 591 361 56 TYR H H 8.863 0.040 1 592 361 56 TYR HA H 4.16 0.001 1 593 361 56 TYR HB2 H 3.173 0.005 2 594 361 56 TYR HB3 H 3.078 0.013 2 595 361 56 TYR HD1 H 6.879 0.002 3 596 361 56 TYR HE2 H 6.702 0.002 3 597 361 56 TYR C C 177.2 0.400 1 598 361 56 TYR CA C 61.499 0.400 1 599 361 56 TYR CB C 38.183 0.400 1 600 361 56 TYR CD1 C 132.182 0.400 3 601 361 56 TYR CE2 C 118.111 0.400 3 602 361 56 TYR N N 120.172 0.400 1 603 362 57 TYR H H 8.561 0.040 1 604 362 57 TYR HA H 4.05 0.002 1 605 362 57 TYR HB2 H 3.205 0.019 2 606 362 57 TYR HB3 H 3.213 0.023 2 607 362 57 TYR HD1 H 7.229 0.040 3 608 362 57 TYR HE2 H 6.887 0.001 3 609 362 57 TYR C C 177.723 0.400 1 610 362 57 TYR CA C 61.782 0.400 1 611 362 57 TYR CB C 37.69 0.400 1 612 362 57 TYR CD1 C 133.244 0.400 3 613 362 57 TYR CE2 C 118.111 0.400 3 614 362 57 TYR N N 118.707 0.400 1 615 363 58 ASN H H 8.445 0.040 1 616 363 58 ASN HA H 4.423 0.040 1 617 363 58 ASN HB2 H 3.046 0.040 2 618 363 58 ASN HB3 H 2.809 0.040 2 619 363 58 ASN C C 177.88 0.400 1 620 363 58 ASN CA C 56.368 0.400 1 621 363 58 ASN CB C 38.306 0.004 1 622 363 58 ASN N N 117.671 0.400 1 623 364 59 ILE H H 8.341 0.040 1 624 364 59 ILE HA H 3.79 0.040 1 625 364 59 ILE HB H 1.945 0.040 1 626 364 59 ILE HG12 H 1.773 0.040 2 627 364 59 ILE HG13 H 1.19 0.040 2 628 364 59 ILE HG2 H 0.896 0.040 1 629 364 59 ILE HD1 H 0.857 0.040 1 630 364 59 ILE C C 178.194 0.400 1 631 364 59 ILE CA C 64.714 0.400 1 632 364 59 ILE CB C 37.863 0.400 1 633 364 59 ILE CG1 C 29.048 0.002 1 634 364 59 ILE CG2 C 17.289 0.400 1 635 364 59 ILE CD1 C 13.158 0.400 1 636 364 59 ILE N N 121.461 0.400 1 637 365 60 LYS H H 8.243 0.040 1 638 365 60 LYS HA H 3.927 0.040 1 639 365 60 LYS HB2 H 2.025 0.040 2 640 365 60 LYS HB3 H 2.025 0.040 2 641 365 60 LYS HG2 H 1.259 0.040 2 642 365 60 LYS HG3 H 1.215 0.040 2 643 365 60 LYS HD2 H 1.529 0.040 2 644 365 60 LYS HD3 H 1.529 0.040 2 645 365 60 LYS HE2 H 2.906 0.040 2 646 365 60 LYS HE3 H 2.798 0.040 2 647 365 60 LYS C C 179.433 0.400 1 648 365 60 LYS CA C 59.051 0.400 1 649 365 60 LYS CB C 31.683 0.400 1 650 365 60 LYS CG C 24.444 0.400 1 651 365 60 LYS CD C 28.602 0.400 1 652 365 60 LYS CE C 41.685 0.400 1 653 365 60 LYS N N 120.861 0.400 1 654 366 61 LYS H H 8.437 0.040 1 655 366 61 LYS HB2 H 1.862 0.040 2 656 366 61 LYS HB3 H 1.744 0.040 2 657 366 61 LYS HG2 H 1.433 0.040 2 658 366 61 LYS HG3 H 1.375 0.040 2 659 366 61 LYS HD2 H 1.684 0.040 2 660 366 61 LYS HD3 H 1.663 0.040 2 661 366 61 LYS HE2 H 2.99 0.040 2 662 366 61 LYS HE3 H 2.99 0.040 2 663 366 61 LYS CA C 59.225 0.400 1 664 366 61 LYS CB C 32.281 0.400 1 665 366 61 LYS CG C 24.682 0.400 1 666 366 61 LYS CD C 29.342 0.400 1 667 366 61 LYS CE C 41.929 0.400 1 668 366 61 LYS N N 120.289 0.400 1 669 367 62 GLN HA H 4.156 0.040 1 670 367 62 GLN HB2 H 2.202 0.040 2 671 367 62 GLN HB3 H 2.202 0.040 2 672 367 62 GLN HG2 H 2.589 0.040 2 673 367 62 GLN HG3 H 2.432 0.040 2 674 367 62 GLN C C 178.509 0.400 1 675 367 62 GLN CA C 58.487 0.400 1 676 367 62 GLN CB C 28.652 0.400 1 677 367 62 GLN CG C 34.244 0.400 1 678 368 63 ASN H H 8.429 0.040 1 679 368 63 ASN HA H 4.549 0.040 1 680 368 63 ASN HB2 H 2.914 0.040 2 681 368 63 ASN HB3 H 2.821 0.040 2 682 368 63 ASN C C 177.078 0.400 1 683 368 63 ASN CA C 55.737 0.400 1 684 368 63 ASN CB C 38.388 0.002 1 685 368 63 ASN N N 117.931 0.400 1 686 369 64 ALA H H 8.272 0.040 1 687 369 64 ALA HA H 4.201 0.040 1 688 369 64 ALA HB H 1.56 0.040 1 689 369 64 ALA C C 179.8 0.400 1 690 369 64 ALA CA C 54.92 0.400 1 691 369 64 ALA CB C 17.954 0.400 1 692 369 64 ALA N N 123.439 0.400 1 693 370 65 GLU H H 8.402 0.040 1 694 370 65 GLU HA H 4.053 0.040 1 695 370 65 GLU HB2 H 2.189 0.040 2 696 370 65 GLU HB3 H 2.142 0.040 2 697 370 65 GLU HG2 H 2.514 0.040 2 698 370 65 GLU HG3 H 2.288 0.040 2 699 370 65 GLU C C 178.561 0.400 1 700 370 65 GLU CA C 59.247 0.400 1 701 370 65 GLU CB C 29.512 0.400 1 702 370 65 GLU CG C 36.633 0.400 1 703 370 65 GLU N N 117.931 0.400 1 704 371 66 LYS H H 8.114 0.040 1 705 371 66 LYS HA H 4.101 0.040 1 706 371 66 LYS HB2 H 1.97 0.040 2 707 371 66 LYS HB3 H 1.97 0.040 2 708 371 66 LYS HG2 H 1.64 0.040 2 709 371 66 LYS HG3 H 1.526 0.040 2 710 371 66 LYS HD2 H 1.76 0.040 2 711 371 66 LYS HD3 H 1.633 0.040 2 712 371 66 LYS HE2 H 2.992 0.040 2 713 371 66 LYS HE3 H 2.992 0.040 2 714 371 66 LYS C C 178.215 0.400 1 715 371 66 LYS CA C 59.389 0.400 1 716 371 66 LYS CB C 32.247 0.400 1 717 371 66 LYS CG C 25.129 0.400 1 718 371 66 LYS CD C 28.913 0.400 1 719 371 66 LYS CE C 41.814 0.400 1 720 371 66 LYS N N 118.722 0.400 1 721 372 67 GLN H H 8.064 0.040 1 722 372 67 GLN HA H 4.114 0.040 1 723 372 67 GLN HB2 H 2.199 0.040 2 724 372 67 GLN HB3 H 2.199 0.040 2 725 372 67 GLN HG2 H 2.527 0.040 2 726 372 67 GLN HG3 H 2.441 0.040 2 727 372 67 GLN C C 178.317 0.400 1 728 372 67 GLN CA C 58.4 0.400 1 729 372 67 GLN CB C 28.421 0.400 1 730 372 67 GLN CG C 33.938 0.400 1 731 372 67 GLN N N 117.052 0.400 1 732 373 68 LEU H H 8.037 0.040 1 733 373 68 LEU HA H 4.214 0.040 1 734 373 68 LEU HB2 H 1.89 0.040 2 735 373 68 LEU HB3 H 1.717 0.040 2 736 373 68 LEU HG H 1.797 0.040 1 737 373 68 LEU HD1 H 0.941 0.040 2 738 373 68 LEU HD2 H 0.985 0.040 2 739 373 68 LEU C C 178.578 0.400 1 740 373 68 LEU CA C 57.833 0.400 1 741 373 68 LEU CB C 41.822 0.400 1 742 373 68 LEU CG C 26.977 0.400 1 743 373 68 LEU CD1 C 23.457 0.400 2 744 373 68 LEU CD2 C 24.64 0.400 2 745 373 68 LEU N N 120.216 0.400 1 746 374 69 LEU H H 8.04 0.040 1 747 374 69 LEU HA H 4.203 0.040 1 748 374 69 LEU HB2 H 1.71 0.040 2 749 374 69 LEU HB3 H 1.907 0.040 2 750 374 69 LEU HG H 1.815 0.040 1 751 374 69 LEU HD1 H 0.972 0.040 2 752 374 69 LEU HD2 H 0.934 0.040 2 753 374 69 LEU C C 179.137 0.400 1 754 374 69 LEU CA C 57.79 0.400 1 755 374 69 LEU CB C 41.778 0.400 1 756 374 69 LEU CG C 26.907 0.400 1 757 374 69 LEU CD1 C 24.511 0.400 2 758 374 69 LEU CD2 C 23.374 0.400 2 759 374 69 LEU N N 119.894 0.400 1 760 375 70 VAL H H 8.099 0.040 1 761 375 70 VAL HA H 3.886 0.040 1 762 375 70 VAL HB H 2.214 0.040 1 763 375 70 VAL HG1 H 1.098 0.040 2 764 375 70 VAL HG2 H 1.016 0.040 2 765 375 70 VAL C C 178.282 0.400 1 766 375 70 VAL CA C 65.02 0.400 1 767 375 70 VAL CB C 31.997 0.400 1 768 375 70 VAL CG1 C 21.809 0.400 2 769 375 70 VAL CG2 C 21.021 0.400 2 770 375 70 VAL N N 118.561 0.400 1 771 376 71 ALA H H 8.113 0.040 1 772 376 71 ALA HA H 4.269 0.040 1 773 376 71 ALA HB H 1.561 0.040 1 774 376 71 ALA C C 179.625 0.400 1 775 376 71 ALA CA C 54.127 0.400 1 776 376 71 ALA CB C 18.23 0.400 1 777 376 71 ALA N N 123.776 0.400 1 778 377 72 LYS H H 8.374 0.040 1 779 377 72 LYS HA H 4.18 0.040 1 780 377 72 LYS HB2 H 1.995 0.040 2 781 377 72 LYS HB3 H 1.995 0.040 2 782 377 72 LYS HG2 H 1.619 0.040 2 783 377 72 LYS HG3 H 1.49 0.040 2 784 377 72 LYS HD2 H 1.744 0.040 2 785 377 72 LYS HE2 H 2.999 0.040 2 786 377 72 LYS HE3 H 2.999 0.040 2 787 377 72 LYS C C 178.212 0.400 1 788 377 72 LYS CA C 58.491 0.400 1 789 377 72 LYS CB C 32.731 0.400 1 790 377 72 LYS CG C 24.885 0.400 1 791 377 72 LYS CD C 29.036 0.400 1 792 377 72 LYS CE C 41.814 0.400 1 793 377 72 LYS N N 119.235 0.400 1 794 378 73 GLU H H 8.447 0.040 1 795 378 73 GLU HA H 4.177 0.040 1 796 378 73 GLU HB2 H 2.168 0.040 2 797 378 73 GLU HB3 H 2.168 0.040 2 798 378 73 GLU HG2 H 2.432 0.040 2 799 378 73 GLU HG3 H 2.33 0.040 2 800 378 73 GLU C C 178.578 0.400 1 801 378 73 GLU CA C 58.423 0.400 1 802 378 73 GLU CB C 29.513 0.400 1 803 378 73 GLU CG C 36.277 0.400 1 804 378 73 GLU N N 119.513 0.400 1 805 379 74 GLY H H 8.415 0.040 1 806 379 74 GLY HA2 H 3.974 0.040 2 807 379 74 GLY HA3 H 3.974 0.040 2 808 379 74 GLY C C 175.176 0.400 1 809 379 74 GLY CA C 46.242 0.400 1 810 379 74 GLY N N 107.427 0.400 1 811 380 75 ALA H H 8.147 0.040 1 812 380 75 ALA HA H 4.257 0.040 1 813 380 75 ALA HB H 1.535 0.040 1 814 380 75 ALA C C 179.154 0.400 1 815 380 75 ALA CA C 53.952 0.400 1 816 380 75 ALA CB C 18.602 0.400 1 817 380 75 ALA N N 123.205 0.400 1 818 381 76 GLU H H 8.309 0.040 1 819 381 76 GLU HA H 4.196 0.040 1 820 381 76 GLU HB2 H 2.144 0.040 2 821 381 76 GLU HB3 H 2.144 0.040 2 822 381 76 GLU HG2 H 2.42 0.040 2 823 381 76 GLU HG3 H 2.357 0.040 2 824 381 76 GLU C C 177.811 0.400 1 825 381 76 GLU CA C 57.877 0.400 1 826 381 76 GLU CB C 29.685 0.400 1 827 381 76 GLU CG C 36.32 0.400 1 828 381 76 GLU N N 117.36 0.400 1 829 382 77 LYS H H 8.064 0.040 1 830 382 77 LYS HA H 4.21 0.040 1 831 382 77 LYS HB2 H 1.953 0.040 2 832 382 77 LYS HB3 H 1.953 0.040 2 833 382 77 LYS HG2 H 1.616 0.040 2 834 382 77 LYS HG3 H 1.515 0.040 2 835 382 77 LYS HD2 H 1.749 0.040 2 836 382 77 LYS HD3 H 1.749 0.040 2 837 382 77 LYS HE2 H 2.959 0.040 2 838 382 77 LYS HE3 H 2.959 0.040 2 839 382 77 LYS C C 177.619 0.400 1 840 382 77 LYS CA C 57.899 0.400 1 841 382 77 LYS CB C 32.647 0.400 1 842 382 77 LYS CG C 25.224 0.002 1 843 382 77 LYS CD C 28.96 0.400 1 844 382 77 LYS CE C 41.847 0.400 1 845 382 77 LYS N N 118.942 0.400 1 846 383 78 ILE H H 7.754 0.040 1 847 383 78 ILE HA H 4.127 0.040 1 848 383 78 ILE HB H 1.996 0.040 1 849 383 78 ILE HG12 H 1.571 0.040 2 850 383 78 ILE HG13 H 1.3 0.040 2 851 383 78 ILE HG2 H 0.97 0.040 1 852 383 78 ILE HD1 H 0.915 0.040 1 853 383 78 ILE C C 176.554 0.400 1 854 383 78 ILE CA C 61.95 0.400 1 855 383 78 ILE CB C 38.376 0.400 1 856 383 78 ILE CG1 C 27.709 0.003 1 857 383 78 ILE CG2 C 17.386 0.400 1 858 383 78 ILE CD1 C 12.786 0.400 1 859 383 78 ILE N N 117.682 0.400 1 860 384 79 LYS H H 8.018 0.040 1 861 384 79 LYS HA H 4.288 0.040 1 862 384 79 LYS HB2 H 1.911 0.040 2 863 384 79 LYS HB3 H 1.869 0.040 2 864 384 79 LYS HG2 H 1.577 0.040 2 865 384 79 LYS HG3 H 1.489 0.040 2 866 384 79 LYS HD2 H 1.729 0.040 2 867 384 79 LYS HD3 H 1.729 0.040 2 868 384 79 LYS HE2 H 2.954 0.040 2 869 384 79 LYS HE3 H 2.954 0.040 2 870 384 79 LYS C C 176.52 0.400 1 871 384 79 LYS CA C 56.798 0.400 1 872 384 79 LYS CB C 32.832 0.400 1 873 384 79 LYS CG C 24.869 0.002 1 874 384 79 LYS CD C 28.877 0.400 1 875 384 79 LYS CE C 41.847 0.400 1 876 384 79 LYS N N 122.252 0.400 1 877 385 80 LYS H H 8.068 0.040 1 878 385 80 LYS HA H 4.351 0.040 1 879 385 80 LYS HB2 H 1.927 0.040 2 880 385 80 LYS HB3 H 1.832 0.040 2 881 385 80 LYS HG2 H 1.511 0.040 2 882 385 80 LYS HG3 H 1.511 0.040 2 883 385 80 LYS HD2 H 1.734 0.040 2 884 385 80 LYS HD3 H 1.734 0.040 2 885 385 80 LYS HE2 H 2.966 0.040 2 886 385 80 LYS HE3 H 2.966 0.040 2 887 385 80 LYS C C 176.066 0.400 1 888 385 80 LYS CA C 56.266 0.400 1 889 385 80 LYS CB C 33.078 0.002 1 890 385 80 LYS CG C 24.673 0.400 1 891 385 80 LYS CD C 28.783 0.400 1 892 385 80 LYS CE C 41.847 0.400 1 893 385 80 LYS N N 120.582 0.400 1 894 386 81 LYS H H 8.222 0.040 1 895 386 81 LYS HA H 4.342 0.040 1 896 386 81 LYS HB2 H 1.932 0.040 2 897 386 81 LYS HB3 H 1.84 0.040 2 898 386 81 LYS HG2 H 1.511 0.040 2 899 386 81 LYS HG3 H 1.511 0.040 2 900 386 81 LYS HD2 H 1.736 0.040 2 901 386 81 LYS HD3 H 1.736 0.040 2 902 386 81 LYS HE2 H 2.966 0.040 2 903 386 81 LYS HE3 H 2.966 0.040 2 904 386 81 LYS C C 175.298 0.400 1 905 386 81 LYS CA C 56.46 0.400 1 906 386 81 LYS CB C 33.034 0.400 1 907 386 81 LYS CG C 24.631 0.400 1 908 386 81 LYS CD C 28.82 0.400 1 909 386 81 LYS CE C 41.847 0.400 1 910 386 81 LYS N N 122.326 0.400 1 911 387 82 ARG H H 7.967 0.040 1 912 387 82 ARG HA H 4.226 0.040 1 913 387 82 ARG HB2 H 1.897 0.040 2 914 387 82 ARG HB3 H 1.771 0.040 2 915 387 82 ARG HD2 H 3.038 0.040 2 916 387 82 ARG HD3 H 3.038 0.040 2 917 387 82 ARG CA C 57.374 0.400 1 918 387 82 ARG CB C 31.631 0.004 1 919 387 82 ARG CD C 41.894 0.400 1 920 387 82 ARG N N 126.984 0.400 1 stop_ save_