data_19928 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments BamA-P4P5 ; _BMRB_accession_number 19928 _BMRB_flat_file_name bmr19928.str _Entry_type original _Submission_date 2014-04-22 _Accession_date 2014-04-22 _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 Houben Klaartje . . 2 Sinnige Tessa . . 3 Pritisanac Iva . . 4 Daniels Mark . . 5 Boelens Rolf . . 6 Baldus Marc . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 813 "13C chemical shifts" 654 "15N chemical shifts" 175 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-01-11 original BMRB . stop_ _Original_release_date 2016-01-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational Plasticity of the POTRA 5 Domain in the Outer Membrane Protein Assembly Factor BamA ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26027731 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sinnige Tessa . . 2 Weingarth Markus . . 3 Daniels Mark . . 4 Boelens Rolf . . 5 Bonvin Alexandre . . 6 Houben Klaartje . . 7 Baldus Marc . . stop_ _Journal_abbreviation Structure _Journal_volume 23 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1317 _Page_last 1324 _Year 2015 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_2 _Saveframe_category citation _Citation_full . _Citation_title ; Insight into the conformational stability of membrane-embedded BamA using a combined solution and solid-state NMR approach ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25567766 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sinnige Tessa . . 2 Houben Klaartje . . 3 Pritisanac Iva . . 4 Renault Marie . . 5 Boelens Rolf . . 6 Baldus Marc . . stop_ _Journal_abbreviation 'J Biomol NMR' _Journal_name_full . _Journal_volume 61 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 321 _Page_last 332 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BamA-P4P5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label P4P5 $BamA-P4P5 stop_ _System_molecular_weight 18800 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BamA-P4P5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BamA-P4P5 _Molecular_mass 18800 _Mol_thiol_state 'not present' loop_ _Biological_function 'Outer membrane protein assembly factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; GSLTEGDQYKLSGVEVSGNL AGHSAEIEQLTKIEPGELYN GTKVTKMEDDIKKLLGRYGY AYPRVQSMPEINDADKTVKL RVNVDAGNRFYVRKIRFEGN DTSKDAVLRREMRQMEGAWL GSDLVDQGKERLNRLGFFET VDTDTQRVPGSPDQVDVVYK VKERNTG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 258 GLY 2 259 SER 3 260 LEU 4 261 THR 5 262 GLU 6 263 GLY 7 264 ASP 8 265 GLN 9 266 TYR 10 267 LYS 11 268 LEU 12 269 SER 13 270 GLY 14 271 VAL 15 272 GLU 16 273 VAL 17 274 SER 18 275 GLY 19 276 ASN 20 277 LEU 21 278 ALA 22 279 GLY 23 280 HIS 24 281 SER 25 282 ALA 26 283 GLU 27 284 ILE 28 285 GLU 29 286 GLN 30 287 LEU 31 288 THR 32 289 LYS 33 290 ILE 34 291 GLU 35 292 PRO 36 293 GLY 37 294 GLU 38 295 LEU 39 296 TYR 40 297 ASN 41 298 GLY 42 299 THR 43 300 LYS 44 301 VAL 45 302 THR 46 303 LYS 47 304 MET 48 305 GLU 49 306 ASP 50 307 ASP 51 308 ILE 52 309 LYS 53 310 LYS 54 311 LEU 55 312 LEU 56 313 GLY 57 314 ARG 58 315 TYR 59 316 GLY 60 317 TYR 61 318 ALA 62 319 TYR 63 320 PRO 64 321 ARG 65 322 VAL 66 323 GLN 67 324 SER 68 325 MET 69 326 PRO 70 327 GLU 71 328 ILE 72 329 ASN 73 330 ASP 74 331 ALA 75 332 ASP 76 333 LYS 77 334 THR 78 335 VAL 79 336 LYS 80 337 LEU 81 338 ARG 82 339 VAL 83 340 ASN 84 341 VAL 85 342 ASP 86 343 ALA 87 344 GLY 88 345 ASN 89 346 ARG 90 347 PHE 91 348 TYR 92 349 VAL 93 350 ARG 94 351 LYS 95 352 ILE 96 353 ARG 97 354 PHE 98 355 GLU 99 356 GLY 100 357 ASN 101 358 ASP 102 359 THR 103 360 SER 104 361 LYS 105 362 ASP 106 363 ALA 107 364 VAL 108 365 LEU 109 366 ARG 110 367 ARG 111 368 GLU 112 369 MET 113 370 ARG 114 371 GLN 115 372 MET 116 373 GLU 117 374 GLY 118 375 ALA 119 376 TRP 120 377 LEU 121 378 GLY 122 379 SER 123 380 ASP 124 381 LEU 125 382 VAL 126 383 ASP 127 384 GLN 128 385 GLY 129 386 LYS 130 387 GLU 131 388 ARG 132 389 LEU 133 390 ASN 134 391 ARG 135 392 LEU 136 393 GLY 137 394 PHE 138 395 PHE 139 396 GLU 140 397 THR 141 398 VAL 142 399 ASP 143 400 THR 144 401 ASP 145 402 THR 146 403 GLN 147 404 ARG 148 405 VAL 149 406 PRO 150 407 GLY 151 408 SER 152 409 PRO 153 410 ASP 154 411 GLN 155 412 VAL 156 413 ASP 157 414 VAL 158 415 VAL 159 416 TYR 160 417 LYS 161 418 VAL 162 419 LYS 163 420 GLU 164 421 ARG 165 422 ASN 166 423 THR 167 424 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UniprotKB A7ZWC3 BamA . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BamA-P4P5 'E. Coli' 562 Bacteria . Escherichia coli 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 _Details $BamA-P4P5 'recombinant technology' . Escherichia coli . pLICHIS 'Enzyme free cloning' 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 $BamA-P4P5 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'normal probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details cryoprobe 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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_HccneHE_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HccneHE' _Sample_label $sample_1 save_ save_2D_hCcneHE_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D hCcneHE' _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 'ionic strength' 150 . mM pH 6.25 . pH pressure 1 . atm temperature 298 . 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 water C 13 protons ppm 4.77 internal indirect . . . 0.25144953 water H 1 protons ppm 4.77 internal direct . . . 1.0 water N 15 protons ppm 4.77 internal 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '2D HccneHE' '2D hCcneHE' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name P4P5 _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 1 259 2 SER HA H 4.489 0.003 1 2 259 2 SER HB2 H 3.810 0.002 1 3 259 2 SER HB3 H 3.810 0.002 1 4 259 2 SER C C 174.441 0.000 1 5 259 2 SER CA C 58.157 0.024 1 6 259 2 SER CB C 64.126 0.107 1 7 260 3 LEU H H 8.470 0.001 1 8 260 3 LEU HA H 4.308 0.002 1 9 260 3 LEU HB2 H 1.520 0.003 1 10 260 3 LEU HB3 H 1.520 0.003 1 11 260 3 LEU HG H 1.462 0.003 1 12 260 3 LEU HD1 H 0.656 0.001 2 13 260 3 LEU HD2 H 0.582 0.002 2 14 260 3 LEU C C 177.724 0.000 1 15 260 3 LEU CA C 55.716 0.024 1 16 260 3 LEU CB C 42.304 0.022 1 17 260 3 LEU CG C 26.946 0.051 1 18 260 3 LEU CD1 C 24.834 0.044 2 19 260 3 LEU CD2 C 23.425 0.027 2 20 260 3 LEU N N 123.839 0.008 1 21 261 4 THR H H 8.230 0.001 1 22 261 4 THR HA H 4.324 0.000 1 23 261 4 THR HB H 4.230 0.003 1 24 261 4 THR HG2 H 1.117 0.000 1 25 261 4 THR C C 174.917 0.000 1 26 261 4 THR CA C 61.866 0.083 1 27 261 4 THR CB C 69.843 0.069 1 28 261 4 THR CG2 C 21.625 0.008 1 29 261 4 THR N N 114.096 0.025 1 30 262 5 GLU H H 8.349 0.003 1 31 262 5 GLU HA H 4.232 0.001 1 32 262 5 GLU HB2 H 2.031 0.006 2 33 262 5 GLU HB3 H 1.935 0.004 2 34 262 5 GLU HG2 H 2.233 0.004 1 35 262 5 GLU HG3 H 2.233 0.004 1 36 262 5 GLU C C 177.071 0.000 1 37 262 5 GLU CA C 57.352 0.038 1 38 262 5 GLU CB C 30.013 0.043 1 39 262 5 GLU CG C 36.331 0.025 1 40 262 5 GLU N N 123.159 0.103 1 41 263 6 GLY H H 8.359 0.002 1 42 263 6 GLY HA2 H 3.905 0.003 2 43 263 6 GLY HA3 H 3.654 0.005 2 44 263 6 GLY C C 173.925 0.000 1 45 263 6 GLY CA C 45.356 0.020 1 46 263 6 GLY N N 109.374 0.009 1 47 264 7 ASP H H 7.934 0.005 1 48 264 7 ASP HA H 4.571 0.004 1 49 264 7 ASP HB2 H 2.601 0.001 2 50 264 7 ASP HB3 H 2.537 0.001 2 51 264 7 ASP C C 175.809 0.000 1 52 264 7 ASP CA C 54.749 0.033 1 53 264 7 ASP CB C 41.459 0.042 1 54 264 7 ASP N N 120.009 0.032 1 55 265 8 GLN H H 8.285 0.002 1 56 265 8 GLN HA H 4.324 0.006 1 57 265 8 GLN HB2 H 2.048 0.001 2 58 265 8 GLN HB3 H 1.978 0.007 2 59 265 8 GLN HG2 H 2.324 0.001 2 60 265 8 GLN HG3 H 2.258 0.003 2 61 265 8 GLN HE21 H 6.805 0.002 2 62 265 8 GLN HE22 H 7.492 0.003 2 63 265 8 GLN C C 175.182 0.000 1 64 265 8 GLN CA C 55.830 0.059 1 65 265 8 GLN CB C 29.478 0.048 1 66 265 8 GLN CG C 34.007 0.073 1 67 265 8 GLN CD C 180.466 0.026 1 68 265 8 GLN N N 118.080 0.012 1 69 265 8 GLN NE2 N 112.264 0.276 1 70 266 9 TYR H H 8.808 0.003 1 71 266 9 TYR HA H 4.692 0.012 1 72 266 9 TYR HB2 H 2.502 0.002 2 73 266 9 TYR C C 175.607 0.000 1 74 266 9 TYR CA C 56.574 0.098 1 75 266 9 TYR CB C 40.000 0.068 1 76 266 9 TYR N N 121.773 0.040 1 77 267 10 LYS H H 8.246 0.005 1 78 267 10 LYS HA H 4.585 0.004 1 79 267 10 LYS HB2 H 1.699 0.002 2 80 267 10 LYS HB3 H 1.652 0.007 2 81 267 10 LYS HG2 H 1.508 0.008 2 82 267 10 LYS HG3 H 1.324 0.012 2 83 267 10 LYS HD2 H 1.597 0.002 1 84 267 10 LYS HD3 H 1.597 0.002 1 85 267 10 LYS HE2 H 2.908 0.005 1 86 267 10 LYS HE3 H 2.908 0.005 1 87 267 10 LYS C C 176.075 0.000 1 88 267 10 LYS CA C 55.917 0.046 1 89 267 10 LYS CB C 34.307 0.061 1 90 267 10 LYS CG C 25.473 0.062 1 91 267 10 LYS CD C 29.069 0.041 1 92 267 10 LYS CE C 42.031 0.027 1 93 267 10 LYS N N 121.322 0.020 1 94 268 11 LEU H H 8.699 0.006 1 95 268 11 LEU HA H 4.973 0.005 1 96 268 11 LEU HB2 H 1.404 0.000 2 97 268 11 LEU HB3 H 1.497 0.000 2 98 268 11 LEU HG H 1.492 0.004 1 99 268 11 LEU HD1 H 0.888 0.005 2 100 268 11 LEU HD2 H 0.907 0.000 2 101 268 11 LEU C C 176.623 0.000 1 102 268 11 LEU CA C 54.351 0.097 1 103 268 11 LEU CB C 43.396 0.046 1 104 268 11 LEU CG C 27.941 0.013 1 105 268 11 LEU CD1 C 25.954 0.080 2 106 268 11 LEU CD2 C 25.169 0.145 2 107 268 11 LEU N N 123.634 0.035 1 108 269 12 SER H H 9.443 0.006 1 109 269 12 SER HA H 4.483 0.001 1 110 269 12 SER HB2 H 3.566 0.007 2 111 269 12 SER HB3 H 3.917 0.000 2 112 269 12 SER C C 175.193 0.025 1 113 269 12 SER CA C 58.465 0.042 1 114 269 12 SER CB C 64.114 0.032 1 115 269 12 SER N N 120.007 0.023 1 116 270 13 GLY H H 7.104 0.003 1 117 270 13 GLY HA2 H 4.154 0.010 2 118 270 13 GLY HA3 H 3.941 0.008 2 119 270 13 GLY C C 170.134 0.000 1 120 270 13 GLY CA C 45.355 0.034 1 121 270 13 GLY N N 107.225 0.014 1 122 271 14 VAL H H 8.483 0.002 1 123 271 14 VAL HA H 4.989 0.006 1 124 271 14 VAL HB H 2.024 0.008 1 125 271 14 VAL HG1 H 0.933 0.001 2 126 271 14 VAL HG2 H 0.829 0.001 2 127 271 14 VAL C C 174.689 0.000 1 128 271 14 VAL CA C 60.955 0.016 1 129 271 14 VAL CB C 34.681 0.043 1 130 271 14 VAL CG1 C 21.732 0.003 2 131 271 14 VAL CG2 C 21.394 0.000 2 132 271 14 VAL N N 120.514 0.012 1 133 272 15 GLU H H 8.846 0.005 1 134 272 15 GLU HA H 4.682 0.009 1 135 272 15 GLU HB2 H 1.913 0.002 2 136 272 15 GLU HB3 H 1.755 0.005 2 137 272 15 GLU HG2 H 2.102 0.002 2 138 272 15 GLU HG3 H 2.029 0.002 2 139 272 15 GLU C C 174.727 0.000 1 140 272 15 GLU CA C 54.526 0.112 1 141 272 15 GLU CB C 32.953 0.069 1 142 272 15 GLU CG C 36.114 0.053 1 143 272 15 GLU N N 127.607 0.020 1 144 273 16 VAL H H 9.036 0.003 1 145 273 16 VAL HA H 5.091 0.007 1 146 273 16 VAL HB H 1.880 0.006 1 147 273 16 VAL HG1 H 0.796 0.009 2 148 273 16 VAL HG2 H 0.756 0.005 2 149 273 16 VAL C C 175.125 0.000 1 150 273 16 VAL CA C 60.944 0.028 1 151 273 16 VAL CB C 32.848 0.052 1 152 273 16 VAL CG1 C 22.151 0.138 2 153 273 16 VAL CG2 C 21.589 0.016 2 154 273 16 VAL N N 127.779 0.034 1 155 274 17 SER H H 9.014 0.004 1 156 274 17 SER HA H 4.736 0.001 1 157 274 17 SER HB2 H 3.848 0.003 2 158 274 17 SER HB3 H 3.763 0.001 2 159 274 17 SER C C 171.850 0.000 1 160 274 17 SER CA C 56.820 0.036 1 161 274 17 SER CB C 66.345 0.028 1 162 274 17 SER N N 122.294 0.030 1 163 275 18 GLY H H 8.301 0.002 1 164 275 18 GLY HA2 H 3.550 0.005 2 165 275 18 GLY HA3 H 5.270 0.005 2 166 275 18 GLY C C 173.653 0.000 1 167 275 18 GLY CA C 44.087 0.020 1 168 275 18 GLY N N 106.842 0.011 1 169 276 19 ASN H H 8.475 0.006 1 170 276 19 ASN HA H 4.900 0.003 1 171 276 19 ASN HB2 H 2.927 0.004 1 172 276 19 ASN HB3 H 2.927 0.004 1 173 276 19 ASN HD21 H 7.729 0.004 2 174 276 19 ASN HD22 H 7.216 0.004 2 175 276 19 ASN C C 173.793 0.000 1 176 276 19 ASN CA C 51.882 0.028 1 177 276 19 ASN CB C 38.609 0.040 1 178 276 19 ASN CG C 177.757 0.013 1 179 276 19 ASN N N 119.740 0.036 1 180 276 19 ASN ND2 N 112.956 0.275 1 181 277 20 LEU H H 8.381 0.005 1 182 277 20 LEU HA H 3.905 0.009 1 183 277 20 LEU HB2 H 1.395 0.006 2 184 277 20 LEU HB3 H 1.504 0.004 2 185 277 20 LEU HG H 1.439 0.003 1 186 277 20 LEU HD1 H 0.682 0.001 2 187 277 20 LEU HD2 H 0.494 0.001 2 188 277 20 LEU C C 176.264 0.000 1 189 277 20 LEU CA C 54.273 0.041 1 190 277 20 LEU CB C 39.952 0.089 1 191 277 20 LEU CG C 27.783 0.082 1 192 277 20 LEU CD1 C 25.386 0.057 2 193 277 20 LEU CD2 C 23.694 0.020 2 194 277 20 LEU N N 122.965 0.023 1 195 278 21 ALA H H 8.121 0.005 1 196 278 21 ALA HA H 3.826 0.007 1 197 278 21 ALA HB H 0.754 0.002 1 198 278 21 ALA C C 175.777 0.000 1 199 278 21 ALA CA C 52.784 0.042 1 200 278 21 ALA CB C 16.524 0.050 1 201 278 21 ALA N N 118.962 0.109 1 202 279 22 GLY H H 8.159 0.004 1 203 279 22 GLY HA2 H 3.798 0.000 2 204 279 22 GLY HA3 H 3.589 0.000 2 205 279 22 GLY C C 176.196 0.000 1 206 279 22 GLY CA C 45.350 0.062 1 207 279 22 GLY N N 103.021 0.018 1 208 280 23 HIS H H 7.718 0.005 1 209 280 23 HIS HA H 4.971 0.006 1 210 280 23 HIS HB2 H 3.370 0.001 2 211 280 23 HIS HB3 H 2.658 0.004 2 212 280 23 HIS C C 174.913 0.005 1 213 280 23 HIS CA C 55.229 0.060 1 214 280 23 HIS CB C 27.198 0.034 1 215 280 23 HIS N N 117.048 0.048 1 216 281 24 SER H H 7.878 0.003 1 217 281 24 SER HA H 3.810 0.006 1 218 281 24 SER HB2 H 3.544 0.000 1 219 281 24 SER HB3 H 3.544 0.000 1 220 281 24 SER C C 175.748 0.000 1 221 281 24 SER CA C 62.391 0.034 1 222 281 24 SER CB C 61.577 0.000 1 223 281 24 SER N N 115.154 0.043 1 224 282 25 ALA H H 8.612 0.004 1 225 282 25 ALA HA H 4.106 0.004 1 226 282 25 ALA HB H 1.372 0.001 1 227 282 25 ALA C C 180.908 0.000 1 228 282 25 ALA CA C 55.730 0.033 1 229 282 25 ALA CB C 17.648 0.014 1 230 282 25 ALA N N 124.136 0.024 1 231 283 26 GLU H H 8.221 0.003 1 232 283 26 GLU HA H 4.021 0.006 1 233 283 26 GLU HB2 H 2.163 0.000 2 234 283 26 GLU HB3 H 2.124 0.000 2 235 283 26 GLU HG2 H 2.398 0.006 1 236 283 26 GLU HG3 H 2.398 0.006 1 237 283 26 GLU C C 179.662 0.006 1 238 283 26 GLU CA C 59.207 0.029 1 239 283 26 GLU CB C 31.301 0.077 1 240 283 26 GLU CG C 37.585 0.031 1 241 283 26 GLU N N 117.598 0.036 1 242 284 27 ILE H H 7.941 0.004 1 243 284 27 ILE HA H 3.611 0.003 1 244 284 27 ILE HB H 1.904 0.010 1 245 284 27 ILE HG12 H 0.967 0.004 2 246 284 27 ILE HG13 H 1.801 0.004 2 247 284 27 ILE HG2 H 0.815 0.001 1 248 284 27 ILE HD1 H 0.756 0.002 1 249 284 27 ILE C C 177.932 0.000 1 250 284 27 ILE CA C 65.166 0.085 1 251 284 27 ILE CB C 37.448 0.076 1 252 284 27 ILE CG1 C 31.174 0.046 1 253 284 27 ILE CG2 C 17.728 0.027 1 254 284 27 ILE CD1 C 13.819 0.045 1 255 284 27 ILE N N 120.095 0.065 1 256 285 28 GLU H H 8.714 0.004 1 257 285 28 GLU HA H 3.924 0.007 1 258 285 28 GLU HB2 H 2.029 0.004 2 259 285 28 GLU HB3 H 2.105 0.000 2 260 285 28 GLU HG2 H 2.370 0.001 2 261 285 28 GLU HG3 H 2.107 0.002 2 262 285 28 GLU C C 179.186 0.000 1 263 285 28 GLU CA C 59.482 0.049 1 264 285 28 GLU CB C 29.132 0.052 1 265 285 28 GLU CG C 36.815 0.024 1 266 285 28 GLU N N 121.840 0.016 1 267 286 29 GLN H H 7.361 0.004 1 268 286 29 GLN HA H 4.020 0.003 1 269 286 29 GLN HB2 H 2.151 0.005 1 270 286 29 GLN HB3 H 2.151 0.005 1 271 286 29 GLN HG2 H 2.472 0.002 1 272 286 29 GLN HG3 H 2.472 0.002 1 273 286 29 GLN HE21 H 6.864 0.002 2 274 286 29 GLN HE22 H 7.539 0.003 2 275 286 29 GLN C C 177.984 0.000 1 276 286 29 GLN CA C 58.363 0.048 1 277 286 29 GLN CB C 28.246 0.065 1 278 286 29 GLN CG C 33.605 0.086 1 279 286 29 GLN CD C 179.987 0.009 1 280 286 29 GLN N N 116.211 0.019 1 281 286 29 GLN NE2 N 112.211 0.255 1 282 287 30 LEU H H 7.574 0.006 1 283 287 30 LEU HA H 4.267 0.005 1 284 287 30 LEU HB2 H 1.985 0.004 2 285 287 30 LEU HB3 H 1.542 0.002 2 286 287 30 LEU HG H 1.886 0.003 1 287 287 30 LEU HD1 H 0.799 0.003 2 288 287 30 LEU HD2 H 0.852 0.003 2 289 287 30 LEU C C 178.067 0.000 1 290 287 30 LEU CA C 56.340 0.048 1 291 287 30 LEU CB C 42.954 0.057 1 292 287 30 LEU CG C 26.408 0.057 1 293 287 30 LEU CD1 C 26.329 0.013 2 294 287 30 LEU CD2 C 23.297 0.036 2 295 287 30 LEU N N 117.307 0.027 1 296 288 31 THR H H 7.441 0.005 1 297 288 31 THR HA H 4.350 0.004 1 298 288 31 THR HB H 4.415 0.003 1 299 288 31 THR HG2 H 1.037 0.000 1 300 288 31 THR C C 172.983 0.000 1 301 288 31 THR CA C 60.813 0.131 1 302 288 31 THR CB C 69.185 0.083 1 303 288 31 THR CG2 C 21.380 0.024 1 304 288 31 THR N N 106.506 0.014 1 305 289 32 LYS H H 6.792 0.004 1 306 289 32 LYS HA H 4.166 0.008 1 307 289 32 LYS HB2 H 1.748 0.000 2 308 289 32 LYS HB3 H 1.796 0.000 2 309 289 32 LYS HG2 H 1.472 0.002 2 310 289 32 LYS HG3 H 1.385 0.001 2 311 289 32 LYS HD2 H 1.658 0.003 1 312 289 32 LYS HD3 H 1.658 0.003 1 313 289 32 LYS HE2 H 2.950 0.001 1 314 289 32 LYS HE3 H 2.950 0.001 1 315 289 32 LYS C C 176.358 0.000 1 316 289 32 LYS CA C 56.948 0.038 1 317 289 32 LYS CB C 32.619 0.039 1 318 289 32 LYS CG C 24.479 0.051 1 319 289 32 LYS CD C 29.227 0.040 1 320 289 32 LYS CE C 42.150 0.036 1 321 289 32 LYS N N 121.063 0.015 1 322 290 33 ILE H H 8.102 0.003 1 323 290 33 ILE HA H 4.486 0.002 1 324 290 33 ILE HB H 1.792 0.002 1 325 290 33 ILE HG12 H 1.244 0.005 2 326 290 33 ILE HG13 H 1.113 0.004 2 327 290 33 ILE HG2 H 0.804 0.001 1 328 290 33 ILE HD1 H 0.625 0.002 1 329 290 33 ILE C C 176.068 0.010 1 330 290 33 ILE CA C 59.094 0.041 1 331 290 33 ILE CB C 40.938 0.048 1 332 290 33 ILE CG1 C 26.032 0.026 1 333 290 33 ILE CG2 C 18.726 0.023 1 334 290 33 ILE CD1 C 14.005 0.011 1 335 290 33 ILE N N 121.027 0.023 1 336 291 34 GLU H H 9.008 0.006 1 337 291 34 GLU HA H 4.654 0.005 1 338 291 34 GLU HB2 H 1.990 0.004 2 339 291 34 GLU HB3 H 1.815 0.007 2 340 291 34 GLU HG2 H 2.258 0.002 2 341 291 34 GLU HG3 H 2.214 0.001 2 342 291 34 GLU C C 174.097 0.000 1 343 291 34 GLU CA C 53.563 0.035 1 344 291 34 GLU CB C 29.677 0.050 1 345 291 34 GLU CG C 35.862 0.046 1 346 291 34 GLU N N 126.001 0.026 1 347 292 35 PRO HA H 4.230 0.000 1 348 292 35 PRO HB2 H 2.245 0.000 2 349 292 35 PRO HB3 H 1.857 0.001 2 350 292 35 PRO C C 178.197 0.003 1 351 292 35 PRO CA C 64.034 0.041 1 352 292 35 PRO CB C 31.429 0.034 1 353 292 35 PRO CG C 27.953 0.000 1 354 292 35 PRO CD C 50.637 0.000 1 355 293 36 GLY H H 8.832 0.002 1 356 293 36 GLY HA2 H 4.175 0.002 2 357 293 36 GLY HA3 H 3.505 0.003 2 358 293 36 GLY C C 174.144 0.015 1 359 293 36 GLY CA C 45.293 0.030 1 360 293 36 GLY N N 112.893 0.019 1 361 294 37 GLU H H 7.884 0.004 1 362 294 37 GLU HA H 4.102 0.003 1 363 294 37 GLU HB2 H 2.304 0.003 2 364 294 37 GLU HB3 H 1.993 0.005 2 365 294 37 GLU HG2 H 2.309 0.001 1 366 294 37 GLU HG3 H 2.309 0.001 1 367 294 37 GLU C C 175.808 0.012 1 368 294 37 GLU CA C 57.423 0.047 1 369 294 37 GLU CB C 30.884 0.054 1 370 294 37 GLU CG C 36.472 0.019 1 371 294 37 GLU N N 120.935 0.014 1 372 295 38 LEU H H 8.501 0.002 1 373 295 38 LEU HA H 4.602 0.003 1 374 295 38 LEU HB2 H 1.676 0.009 2 375 295 38 LEU HB3 H 1.452 0.009 2 376 295 38 LEU HG H 1.766 0.004 1 377 295 38 LEU HD1 H 0.757 0.001 2 378 295 38 LEU HD2 H 0.909 0.003 2 379 295 38 LEU C C 177.564 0.000 1 380 295 38 LEU CA C 54.635 0.065 1 381 295 38 LEU CB C 42.581 0.049 1 382 295 38 LEU CG C 26.941 0.050 1 383 295 38 LEU CD1 C 23.135 0.060 2 384 295 38 LEU CD2 C 25.316 0.056 2 385 295 38 LEU N N 123.568 0.026 1 386 296 39 TYR H H 8.868 0.005 1 387 296 39 TYR HA H 4.113 0.005 1 388 296 39 TYR HB2 H 2.538 0.004 2 389 296 39 TYR HB3 H 2.789 0.009 2 390 296 39 TYR C C 174.455 0.000 1 391 296 39 TYR CA C 59.079 0.047 1 392 296 39 TYR CB C 38.791 0.028 1 393 296 39 TYR N N 121.653 0.037 1 394 297 40 ASN H H 7.073 0.007 1 395 297 40 ASN HA H 4.265 0.003 1 396 297 40 ASN HB2 H 2.804 0.000 2 397 297 40 ASN HB3 H 2.732 0.002 2 398 297 40 ASN HD21 H 7.679 0.004 2 399 297 40 ASN HD22 H 6.926 0.003 2 400 297 40 ASN C C 174.910 0.000 1 401 297 40 ASN CA C 52.530 0.037 1 402 297 40 ASN CB C 40.798 0.057 1 403 297 40 ASN CG C 176.212 0.009 1 404 297 40 ASN N N 123.412 0.047 1 405 297 40 ASN ND2 N 113.459 0.255 1 406 298 41 GLY H H 8.971 0.005 1 407 298 41 GLY HA2 H 3.586 0.002 2 408 298 41 GLY HA3 H 3.893 0.001 2 409 298 41 GLY C C 175.970 0.000 1 410 298 41 GLY CA C 47.199 0.032 1 411 298 41 GLY N N 110.995 0.031 1 412 299 42 THR H H 8.078 0.004 1 413 299 42 THR HA H 4.005 0.008 1 414 299 42 THR HB H 4.134 0.006 1 415 299 42 THR HG2 H 1.177 0.002 1 416 299 42 THR C C 176.535 0.000 1 417 299 42 THR CA C 65.770 0.033 1 418 299 42 THR CB C 68.388 0.049 1 419 299 42 THR CG2 C 21.881 0.019 1 420 299 42 THR N N 117.328 0.010 1 421 300 43 LYS H H 7.638 0.005 1 422 300 43 LYS HA H 4.021 0.004 1 423 300 43 LYS HB2 H 1.830 0.007 1 424 300 43 LYS HB3 H 1.830 0.007 1 425 300 43 LYS HG2 H 1.382 0.003 1 426 300 43 LYS HG3 H 1.382 0.003 1 427 300 43 LYS C C 178.574 0.000 1 428 300 43 LYS CA C 58.713 0.058 1 429 300 43 LYS CB C 32.047 0.010 1 430 300 43 LYS CG C 25.389 0.044 1 431 300 43 LYS CD C 28.981 0.000 1 432 300 43 LYS N N 122.687 0.020 1 433 301 44 VAL H H 7.291 0.004 1 434 301 44 VAL HA H 3.471 0.004 1 435 301 44 VAL HB H 2.150 0.003 1 436 301 44 VAL HG1 H 1.003 0.001 2 437 301 44 VAL HG2 H 0.916 0.002 2 438 301 44 VAL C C 177.437 0.000 1 439 301 44 VAL CA C 67.058 0.029 1 440 301 44 VAL CB C 31.559 0.045 1 441 301 44 VAL CG1 C 23.274 0.024 2 442 301 44 VAL CG2 C 21.582 0.004 2 443 301 44 VAL N N 119.087 0.029 1 444 302 45 THR H H 7.857 0.004 1 445 302 45 THR HA H 3.788 0.004 1 446 302 45 THR HB H 4.079 0.001 1 447 302 45 THR HG2 H 1.221 0.001 1 448 302 45 THR C C 175.935 0.000 1 449 302 45 THR CA C 66.568 0.112 1 450 302 45 THR CB C 68.764 0.044 1 451 302 45 THR CG2 C 22.198 0.031 1 452 302 45 THR N N 115.269 0.019 1 453 303 46 LYS H H 7.681 0.004 1 454 303 46 LYS HA H 4.059 0.004 1 455 303 46 LYS HB2 H 1.864 0.000 1 456 303 46 LYS HB3 H 1.864 0.000 1 457 303 46 LYS C C 177.620 0.000 1 458 303 46 LYS CA C 59.371 0.032 1 459 303 46 LYS CB C 32.135 0.041 1 460 303 46 LYS N N 121.427 0.028 1 461 304 47 MET H H 7.875 0.004 1 462 304 47 MET HA H 4.126 0.007 1 463 304 47 MET HB2 H 2.218 0.014 2 464 304 47 MET HB3 H 2.047 0.001 2 465 304 47 MET HG2 H 2.298 0.003 2 466 304 47 MET HG3 H 2.627 0.004 2 467 304 47 MET C C 178.468 0.000 1 468 304 47 MET CA C 59.591 0.070 1 469 304 47 MET CB C 33.024 0.084 1 470 304 47 MET CG C 31.371 0.052 1 471 304 47 MET N N 119.031 0.023 1 472 305 48 GLU H H 8.207 0.005 1 473 305 48 GLU HA H 3.569 0.007 1 474 305 48 GLU HB2 H 2.308 0.009 2 475 305 48 GLU HG2 H 2.691 0.013 2 476 305 48 GLU HG3 H 1.736 0.017 2 477 305 48 GLU C C 178.785 0.000 1 478 305 48 GLU CA C 60.284 0.058 1 479 305 48 GLU CB C 29.854 0.048 1 480 305 48 GLU CG C 36.092 0.063 1 481 305 48 GLU N N 117.027 0.036 1 482 306 49 ASP H H 8.342 0.003 1 483 306 49 ASP HA H 4.281 0.004 1 484 306 49 ASP HB2 H 2.629 0.008 2 485 306 49 ASP HB3 H 2.827 0.011 2 486 306 49 ASP C C 179.029 0.000 1 487 306 49 ASP CA C 57.673 0.033 1 488 306 49 ASP CB C 40.522 0.093 1 489 306 49 ASP N N 119.609 0.025 1 490 307 50 ASP H H 8.952 0.003 1 491 307 50 ASP HA H 4.350 0.006 1 492 307 50 ASP HB2 H 2.944 0.007 1 493 307 50 ASP HB3 H 2.944 0.007 1 494 307 50 ASP C C 179.897 0.000 1 495 307 50 ASP CA C 57.628 0.051 1 496 307 50 ASP CB C 40.037 0.127 1 497 307 50 ASP N N 121.756 0.027 1 498 308 51 ILE H H 8.297 0.005 1 499 308 51 ILE HA H 3.387 0.002 1 500 308 51 ILE HB H 1.959 0.007 1 501 308 51 ILE HG12 H 2.030 0.006 2 502 308 51 ILE HG13 H 0.693 0.005 2 503 308 51 ILE HG2 H 0.678 0.001 1 504 308 51 ILE HD1 H 0.582 0.002 1 505 308 51 ILE C C 177.286 0.000 1 506 308 51 ILE CA C 66.263 0.071 1 507 308 51 ILE CB C 38.019 0.064 1 508 308 51 ILE CG1 C 29.835 0.053 1 509 308 51 ILE CG2 C 17.478 0.028 1 510 308 51 ILE CD1 C 13.715 0.011 1 511 308 51 ILE N N 122.607 0.024 1 512 309 52 LYS H H 8.146 0.009 1 513 309 52 LYS HA H 3.623 0.011 1 514 309 52 LYS HB2 H 1.974 0.002 2 515 309 52 LYS HB3 H 1.875 0.003 2 516 309 52 LYS HG2 H 1.014 0.007 2 517 309 52 LYS HG3 H 1.744 0.005 2 518 309 52 LYS HD2 H 1.739 0.009 2 519 309 52 LYS HD3 H 1.689 0.008 2 520 309 52 LYS HE2 H 2.794 0.007 2 521 309 52 LYS HE3 H 2.837 0.003 2 522 309 52 LYS C C 179.912 0.000 1 523 309 52 LYS CA C 61.282 0.051 1 524 309 52 LYS CB C 32.055 0.086 1 525 309 52 LYS CG C 27.185 0.072 1 526 309 52 LYS CD C 29.779 0.016 1 527 309 52 LYS CE C 42.479 0.114 1 528 309 52 LYS N N 119.142 0.038 1 529 310 53 LYS H H 8.590 0.005 1 530 310 53 LYS HA H 3.921 0.006 1 531 310 53 LYS HB2 H 1.814 0.011 1 532 310 53 LYS HB3 H 1.814 0.011 1 533 310 53 LYS HG2 H 1.515 0.007 2 534 310 53 LYS HG3 H 1.430 0.000 2 535 310 53 LYS HD2 H 1.607 0.005 1 536 310 53 LYS HD3 H 1.607 0.005 1 537 310 53 LYS HE2 H 2.899 0.001 1 538 310 53 LYS HE3 H 2.899 0.001 1 539 310 53 LYS C C 179.088 0.000 1 540 310 53 LYS CA C 59.391 0.042 1 541 310 53 LYS CB C 32.379 0.074 1 542 310 53 LYS CG C 25.477 0.066 1 543 310 53 LYS CD C 29.128 0.090 1 544 310 53 LYS CE C 42.106 0.034 1 545 310 53 LYS N N 121.042 0.010 1 546 311 54 LEU H H 7.790 0.006 1 547 311 54 LEU HA H 3.962 0.002 1 548 311 54 LEU HB2 H 1.748 0.011 2 549 311 54 LEU HB3 H 1.880 0.000 2 550 311 54 LEU HG H 1.636 0.013 1 551 311 54 LEU HD1 H 0.894 0.006 2 552 311 54 LEU HD2 H 0.926 0.002 2 553 311 54 LEU C C 178.980 0.000 1 554 311 54 LEU CA C 58.294 0.059 1 555 311 54 LEU CB C 41.116 0.094 1 556 311 54 LEU CG C 27.888 0.037 1 557 311 54 LEU CD1 C 25.050 0.065 2 558 311 54 LEU CD2 C 25.294 0.006 2 559 311 54 LEU N N 121.922 0.029 1 560 312 55 LEU H H 8.054 0.006 1 561 312 55 LEU HA H 3.979 0.013 1 562 312 55 LEU HB2 H 1.638 0.010 1 563 312 55 LEU HB3 H 1.638 0.010 1 564 312 55 LEU HG H 1.710 0.002 1 565 312 55 LEU HD1 H 0.522 0.003 2 566 312 55 LEU HD2 H 0.458 0.001 2 567 312 55 LEU C C 180.243 0.000 1 568 312 55 LEU CA C 58.145 0.054 1 569 312 55 LEU CB C 40.476 0.122 1 570 312 55 LEU CG C 26.994 0.048 1 571 312 55 LEU CD1 C 26.199 0.024 2 572 312 55 LEU CD2 C 21.668 0.059 2 573 312 55 LEU N N 116.816 0.047 1 574 313 56 GLY H H 8.273 0.005 1 575 313 56 GLY C C 177.813 0.000 1 576 313 56 GLY CA C 47.258 0.020 1 577 313 56 GLY N N 108.369 0.036 1 578 314 57 ARG H H 7.692 0.005 1 579 314 57 ARG HA H 4.056 0.007 1 580 314 57 ARG HB2 H 1.655 0.010 2 581 314 57 ARG HB3 H 1.483 0.008 2 582 314 57 ARG HG2 H 1.196 0.010 2 583 314 57 ARG HG3 H 1.751 0.005 2 584 314 57 ARG HD2 H 2.982 0.004 1 585 314 57 ARG HD3 H 2.982 0.004 1 586 314 57 ARG HE H 7.225 0.004 1 587 314 57 ARG C C 177.543 0.000 1 588 314 57 ARG CA C 59.271 0.041 1 589 314 57 ARG CB C 29.728 0.113 1 590 314 57 ARG CG C 27.919 0.104 1 591 314 57 ARG CD C 44.097 0.060 1 592 314 57 ARG CZ C 159.610 0.000 1 593 314 57 ARG N N 123.146 0.025 1 594 314 57 ARG NE N 84.683 0.047 1 595 315 58 TYR H H 7.270 0.007 1 596 315 58 TYR HA H 4.726 0.007 1 597 315 58 TYR C C 174.569 0.000 1 598 315 58 TYR CA C 57.837 0.055 1 599 315 58 TYR CB C 39.288 0.060 1 600 315 58 TYR N N 115.169 0.074 1 601 316 59 GLY H H 7.372 0.003 1 602 316 59 GLY HA2 H 4.245 0.000 2 603 316 59 GLY C C 174.536 0.007 1 604 316 59 GLY CA C 46.742 0.022 1 605 316 59 GLY N N 106.596 0.049 1 606 317 60 TYR H H 7.642 0.006 1 607 317 60 TYR HA H 4.885 0.011 1 608 317 60 TYR HB2 H 3.109 0.001 2 609 317 60 TYR HB3 H 2.684 0.010 2 610 317 60 TYR C C 175.374 0.000 1 611 317 60 TYR CA C 57.356 0.048 1 612 317 60 TYR CB C 34.627 0.079 1 613 317 60 TYR N N 122.742 0.053 1 614 318 61 ALA H H 6.641 0.007 1 615 318 61 ALA HA H 3.628 0.003 1 616 318 61 ALA HB H 0.469 0.003 1 617 318 61 ALA C C 176.068 0.000 1 618 318 61 ALA CA C 53.649 0.044 1 619 318 61 ALA CB C 19.753 0.040 1 620 318 61 ALA N N 123.174 0.036 1 621 319 62 TYR H H 9.012 0.004 1 622 319 62 TYR HA H 4.882 0.001 1 623 319 62 TYR HB2 H 3.182 0.002 2 624 319 62 TYR HB3 H 2.647 0.013 2 625 319 62 TYR C C 172.727 0.000 1 626 319 62 TYR CA C 55.136 0.047 1 627 319 62 TYR CB C 39.179 0.037 1 628 319 62 TYR N N 114.846 0.024 1 629 320 63 PRO HA H 4.666 0.006 1 630 320 63 PRO HB2 H 1.421 0.005 2 631 320 63 PRO HB3 H 2.074 0.005 2 632 320 63 PRO HG2 H 1.796 0.010 2 633 320 63 PRO HG3 H 1.899 0.013 2 634 320 63 PRO HD2 H 3.617 0.007 2 635 320 63 PRO HD3 H 3.293 0.013 2 636 320 63 PRO C C 175.928 0.000 1 637 320 63 PRO CA C 63.087 0.055 1 638 320 63 PRO CB C 33.467 0.013 1 639 320 63 PRO CG C 27.259 0.069 1 640 320 63 PRO CD C 49.580 0.093 1 641 321 64 ARG H H 8.659 0.004 1 642 321 64 ARG HA H 4.663 0.003 1 643 321 64 ARG HB2 H 1.787 0.005 1 644 321 64 ARG HB3 H 1.787 0.005 1 645 321 64 ARG HG2 H 1.685 0.006 2 646 321 64 ARG HG3 H 1.505 0.006 2 647 321 64 ARG HD2 H 3.183 0.004 1 648 321 64 ARG HD3 H 3.183 0.004 1 649 321 64 ARG HE H 7.213 0.006 1 650 321 64 ARG C C 175.184 0.000 1 651 321 64 ARG CA C 55.029 0.064 1 652 321 64 ARG CB C 32.437 0.071 1 653 321 64 ARG CG C 27.365 0.094 1 654 321 64 ARG CD C 43.443 0.067 1 655 321 64 ARG N N 120.874 0.025 1 656 321 64 ARG NE N 84.376 0.049 1 657 322 65 VAL H H 8.710 0.003 1 658 322 65 VAL HA H 4.758 0.003 1 659 322 65 VAL HB H 1.787 0.008 1 660 322 65 VAL HG1 H 0.735 0.005 1 661 322 65 VAL HG2 H 0.735 0.005 1 662 322 65 VAL C C 173.980 0.000 1 663 322 65 VAL CA C 61.217 0.069 1 664 322 65 VAL CB C 34.830 0.046 1 665 322 65 VAL CG1 C 21.724 0.152 1 666 322 65 VAL CG2 C 21.724 0.152 1 667 322 65 VAL N N 125.403 0.018 1 668 323 66 GLN H H 8.824 0.004 1 669 323 66 GLN HA H 4.747 0.000 1 670 323 66 GLN HB2 H 2.029 0.001 2 671 323 66 GLN HB3 H 1.929 0.008 2 672 323 66 GLN HG2 H 2.233 0.003 1 673 323 66 GLN HG3 H 2.233 0.003 1 674 323 66 GLN HE21 H 7.531 0.002 2 675 323 66 GLN HE22 H 6.790 0.002 2 676 323 66 GLN C C 174.243 0.000 1 677 323 66 GLN CA C 54.642 0.033 1 678 323 66 GLN CB C 32.584 0.090 1 679 323 66 GLN CG C 33.842 0.092 1 680 323 66 GLN CD C 180.314 0.015 1 681 323 66 GLN N N 126.264 0.028 1 682 323 66 GLN NE2 N 111.575 0.251 1 683 324 67 SER H H 8.797 0.003 1 684 324 67 SER HA H 5.301 0.005 1 685 324 67 SER HB2 H 3.567 0.003 2 686 324 67 SER HB3 H 3.426 0.010 2 687 324 67 SER C C 174.149 0.000 1 688 324 67 SER CA C 58.401 0.034 1 689 324 67 SER CB C 64.596 0.045 1 690 324 67 SER N N 122.096 0.030 1 691 325 68 MET H H 9.212 0.003 1 692 325 68 MET HA H 5.047 0.006 1 693 325 68 MET HB2 H 2.018 0.004 2 694 325 68 MET HB3 H 1.976 0.004 2 695 325 68 MET HG2 H 2.381 0.001 2 696 325 68 MET HG3 H 2.463 0.001 2 697 325 68 MET C C 173.577 0.000 1 698 325 68 MET CA C 52.334 0.040 1 699 325 68 MET CB C 34.610 0.041 1 700 325 68 MET CG C 31.860 0.038 1 701 325 68 MET N N 123.295 0.034 1 702 326 69 PRO HA H 4.633 0.004 1 703 326 69 PRO HB2 H 1.628 0.005 2 704 326 69 PRO HB3 H 1.443 0.008 2 705 326 69 PRO HG2 H 2.117 0.007 2 706 326 69 PRO HG3 H 1.889 0.001 2 707 326 69 PRO HD2 H 3.841 0.005 1 708 326 69 PRO HD3 H 3.841 0.005 1 709 326 69 PRO C C 175.497 0.000 1 710 326 69 PRO CA C 62.000 0.054 1 711 326 69 PRO CB C 32.354 0.043 1 712 326 69 PRO CG C 26.756 0.059 1 713 326 69 PRO CD C 50.907 0.040 1 714 327 70 GLU H H 9.028 0.007 1 715 327 70 GLU HA H 4.511 0.007 1 716 327 70 GLU HB2 H 1.986 0.011 2 717 327 70 GLU HB3 H 1.885 0.000 2 718 327 70 GLU HG2 H 1.917 0.006 2 719 327 70 GLU HG3 H 2.140 0.003 2 720 327 70 GLU C C 175.601 0.000 1 721 327 70 GLU CA C 55.355 0.035 1 722 327 70 GLU CB C 30.614 0.043 1 723 327 70 GLU CG C 36.087 0.030 1 724 327 70 GLU N N 125.329 0.030 1 725 328 71 ILE H H 8.858 0.003 1 726 328 71 ILE HA H 4.036 0.005 1 727 328 71 ILE HB H 1.633 0.004 1 728 328 71 ILE HG12 H 1.223 0.003 2 729 328 71 ILE HG13 H 0.559 0.002 2 730 328 71 ILE HG2 H 0.635 0.002 1 731 328 71 ILE HD1 H 0.553 0.002 1 732 328 71 ILE C C 174.997 0.000 1 733 328 71 ILE CA C 62.164 0.049 1 734 328 71 ILE CB C 39.373 0.037 1 735 328 71 ILE CG1 C 28.490 0.046 1 736 328 71 ILE CG2 C 18.185 0.021 1 737 328 71 ILE CD1 C 13.371 0.028 1 738 328 71 ILE N N 129.764 0.021 1 739 329 72 ASN H H 9.153 0.003 1 740 329 72 ASN HA H 4.899 0.008 1 741 329 72 ASN HB2 H 3.418 0.007 2 742 329 72 ASN HB3 H 2.554 0.008 2 743 329 72 ASN HD21 H 7.321 0.008 2 744 329 72 ASN HD22 H 6.876 0.004 2 745 329 72 ASN C C 175.463 0.000 1 746 329 72 ASN CA C 51.833 0.038 1 747 329 72 ASN CB C 38.508 0.038 1 748 329 72 ASN CG C 177.781 0.000 1 749 329 72 ASN N N 127.389 0.020 1 750 329 72 ASN ND2 N 111.833 0.045 1 751 330 73 ASP H H 8.856 0.003 1 752 330 73 ASP HA H 4.542 0.001 1 753 330 73 ASP HB2 H 2.691 0.003 2 754 330 73 ASP HB3 H 2.550 0.006 2 755 330 73 ASP C C 177.013 0.000 1 756 330 73 ASP CA C 56.933 0.068 1 757 330 73 ASP CB C 41.613 0.032 1 758 330 73 ASP N N 123.981 0.020 1 759 331 74 ALA H H 8.257 0.003 1 760 331 74 ALA HA H 4.131 0.001 1 761 331 74 ALA HB H 1.400 0.001 1 762 331 74 ALA C C 179.018 0.021 1 763 331 74 ALA CA C 54.823 0.025 1 764 331 74 ALA CB C 18.183 0.038 1 765 331 74 ALA N N 121.712 0.012 1 766 332 75 ASP H H 7.263 0.004 1 767 332 75 ASP HA H 4.550 0.002 1 768 332 75 ASP HB2 H 2.489 0.002 1 769 332 75 ASP HB3 H 2.489 0.002 1 770 332 75 ASP C C 175.312 0.024 1 771 332 75 ASP CA C 52.871 0.052 1 772 332 75 ASP CB C 41.132 0.043 1 773 332 75 ASP N N 114.114 0.058 1 774 333 76 LYS H H 7.746 0.005 1 775 333 76 LYS HA H 3.343 0.004 1 776 333 76 LYS HB2 H 1.941 0.009 2 777 333 76 LYS HB3 H 1.325 0.016 2 778 333 76 LYS HG2 H 0.976 0.003 2 779 333 76 LYS HG3 H 1.158 0.009 2 780 333 76 LYS HD2 H 1.271 0.004 2 781 333 76 LYS HD3 H 1.438 0.012 2 782 333 76 LYS HE2 H 2.855 0.004 1 783 333 76 LYS HE3 H 2.855 0.004 1 784 333 76 LYS C C 175.309 0.000 1 785 333 76 LYS CA C 56.788 0.048 1 786 333 76 LYS CB C 28.659 0.073 1 787 333 76 LYS CG C 24.690 0.044 1 788 333 76 LYS CD C 29.002 0.062 1 789 333 76 LYS CE C 42.515 0.066 1 790 333 76 LYS N N 116.206 0.019 1 791 334 77 THR H H 8.030 0.006 1 792 334 77 THR HA H 5.570 0.008 1 793 334 77 THR HB H 4.066 0.002 1 794 334 77 THR HG2 H 1.034 0.009 1 795 334 77 THR C C 173.509 0.011 1 796 334 77 THR CA C 59.430 0.037 1 797 334 77 THR CB C 73.532 0.049 1 798 334 77 THR CG2 C 21.339 0.056 1 799 334 77 THR N N 108.576 0.020 1 800 335 78 VAL H H 8.717 0.005 1 801 335 78 VAL HA H 4.596 0.010 1 802 335 78 VAL HB H 1.429 0.009 1 803 335 78 VAL HG1 H 0.378 0.001 2 804 335 78 VAL HG2 H 0.189 0.001 2 805 335 78 VAL C C 174.117 0.000 1 806 335 78 VAL CA C 60.394 0.068 1 807 335 78 VAL CB C 36.091 0.044 1 808 335 78 VAL CG1 C 22.172 0.043 2 809 335 78 VAL CG2 C 21.060 0.029 2 810 335 78 VAL N N 118.769 0.023 1 811 336 79 LYS H H 8.418 0.005 1 812 336 79 LYS HA H 4.781 0.010 1 813 336 79 LYS HB2 H 1.665 0.011 2 814 336 79 LYS HB3 H 1.582 0.015 2 815 336 79 LYS HG2 H 0.986 0.009 2 816 336 79 LYS HG3 H 1.138 0.005 2 817 336 79 LYS HD2 H 1.478 0.003 1 818 336 79 LYS HD3 H 1.478 0.003 1 819 336 79 LYS HE2 H 2.704 0.004 1 820 336 79 LYS HE3 H 2.704 0.004 1 821 336 79 LYS C C 175.015 0.000 1 822 336 79 LYS CA C 54.255 0.053 1 823 336 79 LYS CB C 34.261 0.055 1 824 336 79 LYS CG C 24.575 0.073 1 825 336 79 LYS CD C 28.990 0.016 1 826 336 79 LYS CE C 41.710 0.026 1 827 336 79 LYS N N 128.025 0.031 1 828 337 80 LEU H H 8.491 0.004 1 829 337 80 LEU HA H 4.570 0.007 1 830 337 80 LEU HB2 H 1.296 0.009 2 831 337 80 LEU HB3 H 1.821 0.004 2 832 337 80 LEU HG H 1.420 0.004 1 833 337 80 LEU HD1 H 0.820 0.004 2 834 337 80 LEU HD2 H 0.824 0.002 2 835 337 80 LEU C C 174.446 0.000 1 836 337 80 LEU CA C 53.733 0.067 1 837 337 80 LEU CB C 45.084 0.061 1 838 337 80 LEU CG C 26.925 0.108 1 839 337 80 LEU CD1 C 24.321 0.063 2 840 337 80 LEU CD2 C 25.770 0.010 2 841 337 80 LEU N N 127.378 0.021 1 842 338 81 ARG H H 8.054 0.006 1 843 338 81 ARG HA H 4.946 0.006 1 844 338 81 ARG HB2 H 1.862 0.004 2 845 338 81 ARG HB3 H 1.809 0.003 2 846 338 81 ARG HG2 H 1.357 0.004 2 847 338 81 ARG HG3 H 1.531 0.006 2 848 338 81 ARG HD2 H 3.108 0.002 1 849 338 81 ARG HD3 H 3.108 0.002 1 850 338 81 ARG HE H 7.296 0.005 1 851 338 81 ARG C C 174.946 0.000 1 852 338 81 ARG CA C 55.337 0.043 1 853 338 81 ARG CB C 30.357 0.072 1 854 338 81 ARG CG C 28.016 0.076 1 855 338 81 ARG CD C 43.320 0.104 1 856 338 81 ARG CZ C 159.537 0.000 1 857 338 81 ARG N N 126.455 0.046 1 858 338 81 ARG NE N 84.600 0.071 1 859 339 82 VAL H H 8.949 0.006 1 860 339 82 VAL HA H 4.522 0.004 1 861 339 82 VAL HB H 1.835 0.003 1 862 339 82 VAL HG1 H 0.729 0.000 2 863 339 82 VAL HG2 H 0.611 0.004 2 864 339 82 VAL C C 173.777 0.000 1 865 339 82 VAL CA C 61.370 0.089 1 866 339 82 VAL CB C 33.994 0.081 1 867 339 82 VAL CG1 C 20.545 0.045 2 868 339 82 VAL CG2 C 20.662 0.055 2 869 339 82 VAL N N 126.615 0.031 1 870 340 83 ASN H H 9.138 0.005 1 871 340 83 ASN HA H 5.267 0.005 1 872 340 83 ASN HB2 H 2.627 0.000 2 873 340 83 ASN HB3 H 2.570 0.000 2 874 340 83 ASN HD21 H 7.341 0.008 2 875 340 83 ASN HD22 H 6.790 0.002 2 876 340 83 ASN C C 174.086 0.000 1 877 340 83 ASN CA C 52.042 0.047 1 878 340 83 ASN CB C 41.180 0.059 1 879 340 83 ASN CG C 176.601 0.007 1 880 340 83 ASN N N 127.003 0.017 1 881 340 83 ASN ND2 N 111.533 0.271 1 882 341 84 VAL H H 8.885 0.006 1 883 341 84 VAL HA H 4.616 0.008 1 884 341 84 VAL HB H 1.699 0.009 1 885 341 84 VAL HG1 H 0.803 0.007 2 886 341 84 VAL HG2 H 0.575 0.001 2 887 341 84 VAL C C 173.936 0.000 1 888 341 84 VAL CA C 60.420 0.080 1 889 341 84 VAL CB C 34.681 0.083 1 890 341 84 VAL CG1 C 22.843 0.133 2 891 341 84 VAL CG2 C 20.867 0.032 2 892 341 84 VAL N N 126.261 0.051 1 893 342 85 ASP H H 8.977 0.005 1 894 342 85 ASP HA H 4.970 0.004 1 895 342 85 ASP HB2 H 2.808 0.007 2 896 342 85 ASP HB3 H 2.577 0.001 2 897 342 85 ASP C C 176.063 0.000 1 898 342 85 ASP CA C 53.174 0.030 1 899 342 85 ASP CB C 42.479 0.035 1 900 342 85 ASP N N 124.415 0.042 1 901 343 86 ALA H H 8.432 0.005 1 902 343 86 ALA HA H 3.543 0.008 1 903 343 86 ALA HB H 0.714 0.002 1 904 343 86 ALA C C 176.322 0.000 1 905 343 86 ALA CA C 55.158 0.038 1 906 343 86 ALA CB C 19.151 0.019 1 907 343 86 ALA N N 127.595 0.040 1 908 344 87 GLY H H 7.746 0.005 1 909 344 87 GLY HA2 H 4.087 0.000 2 910 344 87 GLY HA3 H 3.682 0.000 2 911 344 87 GLY C C 173.462 0.000 1 912 344 87 GLY CA C 44.615 0.001 1 913 344 87 GLY N N 100.177 0.033 1 914 345 88 ASN H H 8.558 0.005 1 915 345 88 ASN HA H 4.707 0.008 1 916 345 88 ASN HB2 H 2.277 0.014 2 917 345 88 ASN HB3 H 2.441 0.008 2 918 345 88 ASN HD21 H 7.014 0.002 2 919 345 88 ASN HD22 H 6.834 0.001 2 920 345 88 ASN C C 173.771 0.000 1 921 345 88 ASN CA C 52.733 0.064 1 922 345 88 ASN CB C 39.099 0.045 1 923 345 88 ASN CG C 176.638 0.014 1 924 345 88 ASN N N 118.822 0.051 1 925 345 88 ASN ND2 N 111.604 0.252 1 926 346 89 ARG H H 8.017 0.005 1 927 346 89 ARG HA H 3.642 0.009 1 928 346 89 ARG HB2 H 0.828 0.003 2 929 346 89 ARG HB3 H 1.089 0.012 2 930 346 89 ARG HG2 H 0.788 0.001 2 931 346 89 ARG HE H 6.569 0.003 1 932 346 89 ARG C C 175.851 0.000 1 933 346 89 ARG CA C 55.366 0.054 1 934 346 89 ARG CB C 31.117 0.006 1 935 346 89 ARG CG C 27.825 0.154 1 936 346 89 ARG CD C 42.845 0.077 1 937 346 89 ARG CZ C 158.304 0.000 1 938 346 89 ARG N N 122.183 0.035 1 939 346 89 ARG NE N 83.986 0.039 1 940 347 90 PHE H H 8.542 0.007 1 941 347 90 PHE HA H 5.026 0.000 1 942 347 90 PHE C C 175.499 0.000 1 943 347 90 PHE CA C 57.621 0.042 1 944 347 90 PHE CB C 42.494 0.114 1 945 347 90 PHE N N 123.031 0.064 1 946 348 91 TYR H H 9.137 0.007 1 947 348 91 TYR C C 175.379 0.000 1 948 348 91 TYR CA C 56.540 0.010 1 949 348 91 TYR CB C 40.857 0.000 1 950 348 91 TYR N N 119.521 0.076 1 951 349 92 VAL H H 8.319 0.003 1 952 349 92 VAL HA H 4.517 0.019 1 953 349 92 VAL HB H 2.180 0.006 1 954 349 92 VAL HG1 H 0.744 0.007 2 955 349 92 VAL HG2 H 0.723 0.002 2 956 349 92 VAL C C 175.908 0.000 1 957 349 92 VAL CA C 61.825 0.059 1 958 349 92 VAL CB C 32.335 0.092 1 959 349 92 VAL CG1 C 24.342 0.022 2 960 349 92 VAL CG2 C 21.752 0.077 2 961 349 92 VAL N N 119.618 0.053 1 962 350 93 ARG H H 9.771 0.006 1 963 350 93 ARG HA H 4.335 0.009 1 964 350 93 ARG HE H 8.807 0.006 1 965 350 93 ARG C C 174.911 0.000 1 966 350 93 ARG CA C 58.190 0.042 1 967 350 93 ARG CB C 29.665 0.054 1 968 350 93 ARG CG C 27.405 0.000 1 969 350 93 ARG CD C 43.398 0.081 1 970 350 93 ARG CZ C 159.906 0.000 1 971 350 93 ARG N N 132.157 0.070 1 972 350 93 ARG NE N 84.796 0.049 1 973 351 94 LYS H H 7.941 0.006 1 974 351 94 LYS HA H 4.760 0.004 1 975 351 94 LYS HB2 H 1.575 0.007 2 976 351 94 LYS HB3 H 1.458 0.004 2 977 351 94 LYS HG2 H 1.262 0.002 2 978 351 94 LYS HG3 H 1.294 0.003 2 979 351 94 LYS HD2 H 1.592 0.001 1 980 351 94 LYS HD3 H 1.592 0.001 1 981 351 94 LYS HE2 H 2.833 0.000 2 982 351 94 LYS HE3 H 2.868 0.000 2 983 351 94 LYS C C 174.970 0.000 1 984 351 94 LYS CA C 53.549 0.058 1 985 351 94 LYS CB C 36.114 0.066 1 986 351 94 LYS CG C 24.700 0.034 1 987 351 94 LYS CD C 28.592 0.015 1 988 351 94 LYS CE C 41.951 0.057 1 989 351 94 LYS N N 114.725 0.024 1 990 352 95 ILE H H 9.358 0.021 1 991 352 95 ILE HB H 1.447 0.005 1 992 352 95 ILE HG12 H 1.534 0.004 2 993 352 95 ILE HG13 H 0.774 0.001 2 994 352 95 ILE HG2 H 0.608 0.004 1 995 352 95 ILE HD1 H 0.772 0.003 1 996 352 95 ILE C C 175.797 0.000 1 997 352 95 ILE CA C 60.168 0.114 1 998 352 95 ILE CB C 39.024 0.041 1 999 352 95 ILE CG1 C 28.713 0.061 1 1000 352 95 ILE CG2 C 17.939 0.023 1 1001 352 95 ILE CD1 C 14.021 0.036 1 1002 352 95 ILE N N 122.137 0.039 1 1003 353 96 ARG H H 8.944 0.004 1 1004 353 96 ARG HA H 4.530 0.010 1 1005 353 96 ARG HB2 H 1.734 0.006 2 1006 353 96 ARG HB3 H 1.502 0.006 2 1007 353 96 ARG HG2 H 1.288 0.018 2 1008 353 96 ARG HG3 H 1.439 0.007 2 1009 353 96 ARG HD2 H 3.136 0.009 2 1010 353 96 ARG HD3 H 2.995 0.003 2 1011 353 96 ARG HE H 7.414 0.007 1 1012 353 96 ARG C C 172.827 0.011 1 1013 353 96 ARG CA C 53.782 0.120 1 1014 353 96 ARG CB C 34.556 0.041 1 1015 353 96 ARG CG C 27.731 0.062 1 1016 353 96 ARG CD C 43.520 0.042 1 1017 353 96 ARG CZ C 159.589 0.000 1 1018 353 96 ARG N N 126.764 0.065 1 1019 353 96 ARG NE N 83.324 0.051 1 1020 354 97 PHE H H 8.478 0.002 1 1021 354 97 PHE HA H 5.423 0.009 1 1022 354 97 PHE HB2 H 2.806 0.000 2 1023 354 97 PHE HB3 H 2.700 0.000 2 1024 354 97 PHE C C 175.387 0.000 1 1025 354 97 PHE CA C 56.510 0.043 1 1026 354 97 PHE CB C 41.528 0.042 1 1027 354 97 PHE N N 119.407 0.025 1 1028 355 98 GLU H H 9.019 0.003 1 1029 355 98 GLU HA H 4.746 0.001 1 1030 355 98 GLU HB2 H 1.925 0.009 2 1031 355 98 GLU HB3 H 1.655 0.004 2 1032 355 98 GLU HG2 H 2.143 0.005 2 1033 355 98 GLU HG3 H 2.031 0.000 2 1034 355 98 GLU C C 175.545 0.000 1 1035 355 98 GLU CA C 55.152 0.082 1 1036 355 98 GLU CB C 33.432 0.127 1 1037 355 98 GLU CG C 36.220 0.056 1 1038 355 98 GLU N N 122.437 0.013 1 1039 356 99 GLY H H 8.795 0.004 1 1040 356 99 GLY C C 173.918 0.000 1 1041 356 99 GLY CA C 44.908 0.093 1 1042 356 99 GLY N N 111.320 0.044 1 1043 357 100 ASN H H 9.125 0.011 1 1044 357 100 ASN CA C 52.526 0.000 1 1045 357 100 ASN N N 116.362 0.033 1 1046 359 102 THR HA H 4.247 0.002 1 1047 359 102 THR HB H 4.138 0.002 1 1048 359 102 THR HG2 H 1.151 0.008 1 1049 359 102 THR C C 175.774 0.000 1 1050 359 102 THR CA C 63.639 0.040 1 1051 359 102 THR CB C 69.766 0.055 1 1052 359 102 THR CG2 C 21.807 0.052 1 1053 360 103 SER H H 8.683 0.006 1 1054 360 103 SER HA H 4.252 0.002 1 1055 360 103 SER HB2 H 3.757 0.005 2 1056 360 103 SER HB3 H 3.580 0.000 2 1057 360 103 SER CA C 58.965 0.053 1 1058 360 103 SER CB C 63.439 0.033 1 1059 360 103 SER N N 120.584 0.041 1 1060 362 105 ASP HA H 3.784 0.002 1 1061 362 105 ASP HB2 H 2.624 0.002 2 1062 362 105 ASP HB3 H 2.769 0.003 2 1063 362 105 ASP C C 177.175 0.000 1 1064 362 105 ASP CA C 58.661 0.013 1 1065 362 105 ASP CB C 42.063 0.031 1 1066 363 106 ALA H H 8.545 0.004 1 1067 363 106 ALA HA H 3.917 0.003 1 1068 363 106 ALA HB H 1.383 0.002 1 1069 363 106 ALA C C 180.323 0.000 1 1070 363 106 ALA CA C 55.644 0.026 1 1071 363 106 ALA CB C 18.689 0.066 1 1072 363 106 ALA N N 116.769 0.050 1 1073 364 107 VAL H H 7.161 0.008 1 1074 364 107 VAL HA H 3.539 0.003 1 1075 364 107 VAL HB H 2.184 0.001 1 1076 364 107 VAL HG1 H 1.019 0.001 2 1077 364 107 VAL HG2 H 0.977 0.003 2 1078 364 107 VAL C C 177.478 0.000 1 1079 364 107 VAL CA C 65.325 0.039 1 1080 364 107 VAL CB C 31.955 0.049 1 1081 364 107 VAL CG1 C 22.335 0.018 2 1082 364 107 VAL CG2 C 20.844 0.020 2 1083 364 107 VAL N N 116.159 0.048 1 1084 365 108 LEU H H 7.129 0.024 1 1085 365 108 LEU HA H 3.644 0.008 1 1086 365 108 LEU HB2 H 0.356 0.008 2 1087 365 108 LEU HB3 H 0.617 0.003 2 1088 365 108 LEU HG H 1.484 0.006 1 1089 365 108 LEU HD1 H 0.421 0.003 2 1090 365 108 LEU HD2 H 0.605 0.005 2 1091 365 108 LEU C C 179.157 0.000 1 1092 365 108 LEU CA C 57.325 0.045 1 1093 365 108 LEU CB C 38.913 0.061 1 1094 365 108 LEU CG C 26.756 0.077 1 1095 365 108 LEU CD1 C 25.130 0.057 2 1096 365 108 LEU CD2 C 23.037 0.053 2 1097 365 108 LEU N N 118.592 0.050 1 1098 366 109 ARG H H 8.561 0.012 1 1099 366 109 ARG HA H 3.827 0.007 1 1100 366 109 ARG C C 179.226 0.000 1 1101 366 109 ARG CA C 59.922 0.035 1 1102 366 109 ARG CB C 30.273 0.000 1 1103 366 109 ARG N N 117.757 0.055 1 1104 367 110 ARG H H 7.242 0.003 1 1105 367 110 ARG HA H 4.125 0.003 1 1106 367 110 ARG HB2 H 1.945 0.010 1 1107 367 110 ARG HB3 H 1.945 0.010 1 1108 367 110 ARG HG2 H 1.713 0.007 1 1109 367 110 ARG HG3 H 1.713 0.007 1 1110 367 110 ARG HD2 H 3.158 0.010 1 1111 367 110 ARG HD3 H 3.158 0.010 1 1112 367 110 ARG HE H 7.319 0.010 1 1113 367 110 ARG C C 176.984 0.000 1 1114 367 110 ARG CA C 58.012 0.106 1 1115 367 110 ARG CB C 30.164 0.059 1 1116 367 110 ARG CG C 27.089 0.069 1 1117 367 110 ARG CD C 43.827 0.028 1 1118 367 110 ARG CZ C 159.443 0.000 1 1119 367 110 ARG N N 116.483 0.033 1 1120 367 110 ARG NE N 84.714 0.059 1 1121 368 111 GLU H H 7.223 0.006 1 1122 368 111 GLU C C 175.630 0.000 1 1123 368 111 GLU CA C 54.859 0.032 1 1124 368 111 GLU N N 115.124 0.025 1 1125 369 112 MET H H 7.113 0.010 1 1126 369 112 MET CA C 55.067 0.000 1 1127 369 112 MET N N 113.146 0.029 1 1128 373 116 GLU HA H 3.790 0.004 1 1129 373 116 GLU HB2 H 1.954 0.001 2 1130 373 116 GLU C C 177.535 0.000 1 1131 373 116 GLU CA C 57.696 0.029 1 1132 373 116 GLU CB C 29.702 0.099 1 1133 373 116 GLU CG C 37.958 0.000 1 1134 374 117 GLY H H 9.237 0.007 1 1135 374 117 GLY HA2 H 4.112 0.006 2 1136 374 117 GLY HA3 H 3.589 0.016 2 1137 374 117 GLY C C 172.464 0.000 1 1138 374 117 GLY CA C 45.584 0.127 1 1139 374 117 GLY N N 112.886 0.034 1 1140 375 118 ALA H H 6.965 0.007 1 1141 375 118 ALA HA H 4.581 0.000 1 1142 375 118 ALA HB H 1.322 0.000 1 1143 375 118 ALA C C 176.865 0.000 1 1144 375 118 ALA CA C 49.669 0.029 1 1145 375 118 ALA CB C 22.584 0.039 1 1146 375 118 ALA N N 120.361 0.049 1 1147 376 119 TRP H H 7.592 0.005 1 1148 376 119 TRP HA H 4.675 0.008 1 1149 376 119 TRP HB2 H 2.998 0.003 2 1150 376 119 TRP HB3 H 2.837 0.006 2 1151 376 119 TRP HE1 H 9.780 0.001 1 1152 376 119 TRP C C 177.490 0.000 1 1153 376 119 TRP CA C 57.229 0.106 1 1154 376 119 TRP CB C 30.230 0.058 1 1155 376 119 TRP N N 118.107 0.021 1 1156 376 119 TRP NE1 N 127.709 0.078 1 1157 377 120 LEU H H 9.226 0.003 1 1158 377 120 LEU HA H 3.983 0.010 1 1159 377 120 LEU HB2 H 1.025 0.010 1 1160 377 120 LEU HB3 H 1.025 0.010 1 1161 377 120 LEU HD1 H 0.662 0.006 2 1162 377 120 LEU HD2 H 0.530 0.004 2 1163 377 120 LEU CA C 55.811 0.071 1 1164 377 120 LEU CB C 42.621 0.109 1 1165 377 120 LEU CD1 C 26.965 0.100 2 1166 377 120 LEU CD2 C 23.050 0.083 2 1167 377 120 LEU N N 125.759 0.034 1 1168 379 122 SER HA H 3.836 0.000 1 1169 379 122 SER C C 175.900 0.000 1 1170 379 122 SER CA C 61.759 0.000 1 1171 380 123 ASP H H 8.986 0.005 1 1172 380 123 ASP HA H 4.358 0.003 1 1173 380 123 ASP HB2 H 2.549 0.003 2 1174 380 123 ASP HB3 H 2.641 0.001 2 1175 380 123 ASP C C 178.321 0.000 1 1176 380 123 ASP CA C 56.654 0.035 1 1177 380 123 ASP CB C 38.741 0.036 1 1178 380 123 ASP N N 120.688 0.028 1 1179 381 124 LEU H H 7.441 0.005 1 1180 381 124 LEU HA H 3.924 0.006 1 1181 381 124 LEU HB2 H 2.351 0.012 1 1182 381 124 LEU HB3 H 2.351 0.012 1 1183 381 124 LEU HG H 1.659 0.004 1 1184 381 124 LEU HD1 H 0.996 0.007 2 1185 381 124 LEU HD2 H 0.700 0.003 2 1186 381 124 LEU CA C 57.114 0.138 1 1187 381 124 LEU CB C 40.338 0.046 1 1188 381 124 LEU CG C 26.495 0.061 1 1189 381 124 LEU CD1 C 25.833 0.021 2 1190 381 124 LEU CD2 C 21.605 0.031 2 1191 381 124 LEU N N 121.628 0.016 1 1192 382 125 VAL H H 8.077 0.004 1 1193 382 125 VAL HA H 3.654 0.008 1 1194 382 125 VAL HB H 2.188 0.008 1 1195 382 125 VAL HG1 H 0.735 0.004 2 1196 382 125 VAL HG2 H 0.978 0.002 2 1197 382 125 VAL C C 180.737 0.000 1 1198 382 125 VAL CA C 66.355 0.051 1 1199 382 125 VAL CB C 31.984 0.038 1 1200 382 125 VAL CG1 C 20.806 0.033 2 1201 382 125 VAL CG2 C 23.694 0.050 2 1202 382 125 VAL N N 123.353 0.095 1 1203 383 126 ASP H H 8.429 0.004 1 1204 383 126 ASP HA H 4.483 0.004 1 1205 383 126 ASP HB2 H 2.744 0.004 2 1206 383 126 ASP HB3 H 2.825 0.006 2 1207 383 126 ASP C C 178.916 0.000 1 1208 383 126 ASP CA C 57.836 0.024 1 1209 383 126 ASP CB C 40.076 0.050 1 1210 383 126 ASP N N 124.963 0.028 1 1211 384 127 GLN H H 8.724 0.004 1 1212 384 127 GLN HA H 4.133 0.012 1 1213 384 127 GLN HB2 H 2.136 0.007 2 1214 384 127 GLN HB3 H 2.054 0.000 2 1215 384 127 GLN HG2 H 2.684 0.005 2 1216 384 127 GLN HG3 H 2.400 0.004 2 1217 384 127 GLN HE21 H 7.319 0.003 2 1218 384 127 GLN HE22 H 6.733 0.002 2 1219 384 127 GLN C C 179.883 0.000 1 1220 384 127 GLN CA C 59.201 0.032 1 1221 384 127 GLN CB C 28.632 0.017 1 1222 384 127 GLN CG C 34.325 0.059 1 1223 384 127 GLN CD C 179.534 0.005 1 1224 384 127 GLN N N 121.136 0.029 1 1225 384 127 GLN NE2 N 109.617 0.264 1 1226 385 128 GLY H H 7.760 0.003 1 1227 385 128 GLY C C 174.345 0.000 1 1228 385 128 GLY CA C 47.248 0.006 1 1229 385 128 GLY N N 105.070 0.037 1 1230 386 129 LYS H H 7.670 0.006 1 1231 386 129 LYS HA H 3.833 0.000 1 1232 386 129 LYS HB2 H 1.810 0.000 1 1233 386 129 LYS HB3 H 1.810 0.000 1 1234 386 129 LYS C C 177.181 0.000 1 1235 386 129 LYS CA C 60.196 0.026 1 1236 386 129 LYS CB C 32.102 0.118 1 1237 386 129 LYS N N 122.433 0.027 1 1238 387 130 GLU H H 8.016 0.005 1 1239 387 130 GLU HA H 4.155 0.005 1 1240 387 130 GLU HB2 H 2.127 0.008 1 1241 387 130 GLU HB3 H 2.127 0.008 1 1242 387 130 GLU HG2 H 2.284 0.001 2 1243 387 130 GLU HG3 H 2.339 0.001 2 1244 387 130 GLU C C 179.500 0.000 1 1245 387 130 GLU CA C 59.176 0.061 1 1246 387 130 GLU CB C 29.015 0.026 1 1247 387 130 GLU CG C 35.709 0.038 1 1248 387 130 GLU N N 119.010 0.020 1 1249 388 131 ARG H H 8.139 0.003 1 1250 388 131 ARG HA H 3.839 0.003 1 1251 388 131 ARG HG2 H 2.026 0.006 2 1252 388 131 ARG HD2 H 3.273 0.053 2 1253 388 131 ARG HD3 H 3.209 0.000 2 1254 388 131 ARG HE H 7.489 0.007 1 1255 388 131 ARG C C 180.153 0.000 1 1256 388 131 ARG CA C 59.905 0.034 1 1257 388 131 ARG CB C 29.952 0.158 1 1258 388 131 ARG CG C 28.775 0.120 1 1259 388 131 ARG CD C 42.442 0.055 1 1260 388 131 ARG CZ C 159.618 0.000 1 1261 388 131 ARG N N 118.303 0.036 1 1262 388 131 ARG NE N 83.956 0.048 1 1263 389 132 LEU H H 8.123 0.009 1 1264 389 132 LEU HA H 4.056 0.005 1 1265 389 132 LEU HB2 H 2.067 0.014 2 1266 389 132 LEU HB3 H 1.294 0.004 2 1267 389 132 LEU HG H 1.735 0.001 1 1268 389 132 LEU HD1 H 0.407 0.002 2 1269 389 132 LEU HD2 H 0.639 0.002 2 1270 389 132 LEU C C 180.051 0.000 1 1271 389 132 LEU CA C 57.990 0.091 1 1272 389 132 LEU CB C 41.406 0.052 1 1273 389 132 LEU CG C 26.944 0.069 1 1274 389 132 LEU CD1 C 25.881 0.067 2 1275 389 132 LEU CD2 C 23.822 0.037 2 1276 389 132 LEU N N 118.939 0.021 1 1277 390 133 ASN H H 8.393 0.005 1 1278 390 133 ASN HA H 4.542 0.002 1 1279 390 133 ASN HB2 H 2.940 0.002 2 1280 390 133 ASN HB3 H 2.853 0.001 2 1281 390 133 ASN HD21 H 7.421 0.002 2 1282 390 133 ASN HD22 H 6.895 0.002 2 1283 390 133 ASN C C 178.362 0.000 1 1284 390 133 ASN CA C 56.170 0.052 1 1285 390 133 ASN CB C 38.538 0.041 1 1286 390 133 ASN CG C 175.420 0.007 1 1287 390 133 ASN N N 118.780 0.023 1 1288 390 133 ASN ND2 N 111.061 0.254 1 1289 391 134 ARG H H 7.848 0.003 1 1290 391 134 ARG HA H 4.050 0.003 1 1291 391 134 ARG HB2 H 1.844 0.012 1 1292 391 134 ARG HB3 H 1.844 0.012 1 1293 391 134 ARG HG2 H 1.795 0.008 2 1294 391 134 ARG HG3 H 1.670 0.009 2 1295 391 134 ARG HD2 H 3.114 0.009 1 1296 391 134 ARG HD3 H 3.114 0.009 1 1297 391 134 ARG HE H 7.456 0.005 1 1298 391 134 ARG C C 177.346 0.000 1 1299 391 134 ARG CA C 57.785 0.073 1 1300 391 134 ARG CB C 30.323 0.072 1 1301 391 134 ARG CG C 27.565 0.087 1 1302 391 134 ARG CD C 43.489 0.043 1 1303 391 134 ARG CZ C 159.483 0.000 1 1304 391 134 ARG N N 118.266 0.042 1 1305 391 134 ARG NE N 84.665 0.056 1 1306 392 135 LEU H H 7.269 0.006 1 1307 392 135 LEU HA H 3.748 0.006 1 1308 392 135 LEU HB2 H 0.449 0.008 2 1309 392 135 LEU HB3 H 1.484 0.003 2 1310 392 135 LEU HD1 H 0.626 0.005 2 1311 392 135 LEU HD2 H 0.820 0.005 2 1312 392 135 LEU C C 178.487 0.000 1 1313 392 135 LEU CA C 56.661 0.040 1 1314 392 135 LEU CB C 41.868 0.083 1 1315 392 135 LEU CD1 C 21.900 0.064 2 1316 392 135 LEU CD2 C 26.249 0.039 2 1317 392 135 LEU N N 117.426 0.021 1 1318 393 136 GLY H H 7.248 0.003 1 1319 393 136 GLY C C 174.549 0.000 1 1320 393 136 GLY CA C 45.721 0.009 1 1321 393 136 GLY N N 102.003 0.021 1 1322 394 137 PHE H H 5.938 0.007 1 1323 394 137 PHE HA H 4.499 0.005 1 1324 394 137 PHE HB2 H 2.556 0.003 2 1325 394 137 PHE HB3 H 1.001 0.005 2 1326 394 137 PHE C C 176.313 0.000 1 1327 394 137 PHE CA C 55.174 0.047 1 1328 394 137 PHE CB C 38.243 0.032 1 1329 394 137 PHE N N 114.563 0.038 1 1330 395 138 PHE H H 8.467 0.003 1 1331 395 138 PHE HA H 5.306 0.003 1 1332 395 138 PHE HB2 H 3.279 0.003 2 1333 395 138 PHE HB3 H 2.678 0.000 2 1334 395 138 PHE C C 175.679 0.000 1 1335 395 138 PHE CA C 56.429 0.060 1 1336 395 138 PHE CB C 40.931 0.028 1 1337 395 138 PHE N N 116.768 0.031 1 1338 396 139 GLU H H 9.438 0.005 1 1339 396 139 GLU HA H 4.228 0.003 1 1340 396 139 GLU HB2 H 1.954 0.003 2 1341 396 139 GLU HB3 H 1.882 0.001 2 1342 396 139 GLU HG2 H 2.196 0.003 2 1343 396 139 GLU C C 176.702 0.000 1 1344 396 139 GLU CA C 58.178 0.034 1 1345 396 139 GLU CB C 31.404 0.052 1 1346 396 139 GLU CG C 36.314 0.036 1 1347 396 139 GLU N N 123.736 0.032 1 1348 397 140 THR H H 7.156 0.005 1 1349 397 140 THR HA H 4.616 0.006 1 1350 397 140 THR HB H 4.086 0.001 1 1351 397 140 THR HG2 H 1.105 0.005 1 1352 397 140 THR C C 172.648 0.000 1 1353 397 140 THR CA C 60.405 0.026 1 1354 397 140 THR CB C 72.068 0.031 1 1355 397 140 THR CG2 C 22.002 0.021 1 1356 397 140 THR N N 106.623 0.033 1 1357 398 141 VAL H H 8.095 0.003 1 1358 398 141 VAL HA H 4.357 0.006 1 1359 398 141 VAL HB H 1.944 0.006 1 1360 398 141 VAL HG1 H 0.865 0.006 2 1361 398 141 VAL HG2 H 0.752 0.003 2 1362 398 141 VAL C C 173.312 0.000 1 1363 398 141 VAL CA C 62.197 0.039 1 1364 398 141 VAL CB C 35.203 0.086 1 1365 398 141 VAL CG1 C 22.372 0.022 2 1366 398 141 VAL CG2 C 21.262 0.094 2 1367 398 141 VAL N N 120.953 0.045 1 1368 399 142 ASP H H 8.927 0.003 1 1369 399 142 ASP HA H 5.134 0.004 1 1370 399 142 ASP HB2 H 2.616 0.002 2 1371 399 142 ASP HB3 H 2.374 0.007 2 1372 399 142 ASP C C 174.855 0.000 1 1373 399 142 ASP CA C 52.665 0.046 1 1374 399 142 ASP CB C 45.580 0.028 1 1375 399 142 ASP N N 126.042 0.028 1 1376 400 143 THR H H 8.520 0.003 1 1377 400 143 THR HA H 5.168 0.004 1 1378 400 143 THR HB H 3.446 0.002 1 1379 400 143 THR HG2 H 0.449 0.004 1 1380 400 143 THR C C 173.583 0.000 1 1381 400 143 THR CA C 59.236 0.027 1 1382 400 143 THR CB C 71.383 0.043 1 1383 400 143 THR CG2 C 22.760 0.024 1 1384 400 143 THR N N 110.171 0.027 1 1385 401 144 ASP H H 8.596 0.009 1 1386 401 144 ASP HA H 4.784 0.002 1 1387 401 144 ASP HB2 H 2.359 0.006 1 1388 401 144 ASP HB3 H 2.359 0.006 1 1389 401 144 ASP C C 174.672 0.000 1 1390 401 144 ASP CA C 53.120 0.024 1 1391 401 144 ASP CB C 44.843 0.047 1 1392 401 144 ASP N N 121.056 0.023 1 1393 402 145 THR H H 8.204 0.005 1 1394 402 145 THR HA H 4.769 0.001 1 1395 402 145 THR HB H 3.795 0.004 1 1396 402 145 THR HG2 H 0.845 0.004 1 1397 402 145 THR C C 173.887 0.000 1 1398 402 145 THR CA C 61.349 0.090 1 1399 402 145 THR CB C 69.707 0.090 1 1400 402 145 THR CG2 C 21.465 0.024 1 1401 402 145 THR N N 119.176 0.017 1 1402 403 146 GLN H H 8.890 0.005 1 1403 403 146 GLN HA H 4.607 0.010 1 1404 403 146 GLN HB2 H 1.924 0.008 2 1405 403 146 GLN HB3 H 1.675 0.004 2 1406 403 146 GLN HG2 H 2.192 0.002 2 1407 403 146 GLN HG3 H 2.047 0.009 2 1408 403 146 GLN HE21 H 6.836 0.002 2 1409 403 146 GLN HE22 H 7.771 0.004 2 1410 403 146 GLN C C 175.263 0.007 1 1411 403 146 GLN CA C 53.792 0.039 1 1412 403 146 GLN CB C 31.470 0.071 1 1413 403 146 GLN CG C 33.042 0.099 1 1414 403 146 GLN CD C 180.000 0.005 1 1415 403 146 GLN N N 124.396 0.028 1 1416 403 146 GLN NE2 N 111.281 0.268 1 1417 404 147 ARG H H 8.699 0.005 1 1418 404 147 ARG HA H 4.200 0.009 1 1419 404 147 ARG HB2 H 1.532 0.005 1 1420 404 147 ARG HB3 H 1.532 0.005 1 1421 404 147 ARG HG2 H 1.372 0.000 1 1422 404 147 ARG HG3 H 1.372 0.000 1 1423 404 147 ARG HD2 H 2.753 0.000 1 1424 404 147 ARG HD3 H 2.753 0.000 1 1425 404 147 ARG HE H 7.286 0.004 1 1426 404 147 ARG C C 176.356 0.000 1 1427 404 147 ARG CA C 57.330 0.064 1 1428 404 147 ARG CB C 30.216 0.145 1 1429 404 147 ARG CG C 28.085 0.072 1 1430 404 147 ARG CD C 42.953 0.179 1 1431 404 147 ARG CZ C 159.142 0.000 1 1432 404 147 ARG N N 123.601 0.032 1 1433 404 147 ARG NE N 84.347 0.158 1 1434 405 148 VAL H H 8.136 0.005 1 1435 405 148 VAL HA H 4.203 0.001 1 1436 405 148 VAL HB H 1.929 0.001 1 1437 405 148 VAL HG1 H 0.803 0.003 2 1438 405 148 VAL HG2 H 0.751 0.003 2 1439 405 148 VAL C C 174.462 0.000 1 1440 405 148 VAL CA C 60.186 0.040 1 1441 405 148 VAL CB C 32.817 0.040 1 1442 405 148 VAL CG1 C 20.135 0.032 2 1443 405 148 VAL CG2 C 21.703 0.069 2 1444 405 148 VAL N N 126.962 0.042 1 1445 406 149 PRO HA H 4.230 0.002 1 1446 406 149 PRO HB2 H 2.246 0.002 2 1447 406 149 PRO HB3 H 1.868 0.007 2 1448 406 149 PRO HG2 H 1.944 0.006 2 1449 406 149 PRO HG3 H 2.124 0.005 2 1450 406 149 PRO HD2 H 3.871 0.010 2 1451 406 149 PRO HD3 H 3.652 0.005 2 1452 406 149 PRO C C 177.881 0.000 1 1453 406 149 PRO CA C 64.029 0.029 1 1454 406 149 PRO CB C 31.556 0.070 1 1455 406 149 PRO CG C 27.946 0.043 1 1456 406 149 PRO CD C 50.590 0.050 1 1457 407 150 GLY H H 8.706 0.007 1 1458 407 150 GLY HA2 H 3.672 0.000 2 1459 407 150 GLY HA3 H 4.084 0.000 2 1460 407 150 GLY C C 173.684 0.000 1 1461 407 150 GLY CA C 45.490 0.016 1 1462 407 150 GLY N N 112.054 0.028 1 1463 408 151 SER H H 7.836 0.004 1 1464 408 151 SER HA H 5.099 0.004 1 1465 408 151 SER HB2 H 3.688 0.002 2 1466 408 151 SER HB3 H 3.877 0.001 2 1467 408 151 SER C C 174.479 0.000 1 1468 408 151 SER CA C 54.292 0.093 1 1469 408 151 SER CB C 64.947 0.013 1 1470 408 151 SER N N 114.895 0.027 1 1471 409 152 PRO HA H 4.571 0.002 1 1472 409 152 PRO HB2 H 2.236 0.005 2 1473 409 152 PRO HB3 H 1.864 0.004 2 1474 409 152 PRO HG2 H 2.021 0.003 2 1475 409 152 PRO HG3 H 1.858 0.000 2 1476 409 152 PRO C C 176.735 0.000 1 1477 409 152 PRO CA C 63.885 0.036 1 1478 409 152 PRO CB C 32.409 0.091 1 1479 409 152 PRO CG C 26.620 0.070 1 1480 409 152 PRO CD C 51.018 0.017 1 1481 410 153 ASP H H 7.880 0.003 1 1482 410 153 ASP HA H 4.091 0.005 1 1483 410 153 ASP HB2 H 2.294 0.012 2 1484 410 153 ASP HB3 H 3.228 0.001 2 1485 410 153 ASP C C 174.621 0.000 1 1486 410 153 ASP CA C 53.672 0.038 1 1487 410 153 ASP CB C 40.895 0.031 1 1488 410 153 ASP N N 115.098 0.023 1 1489 411 154 GLN H H 7.460 0.005 1 1490 411 154 GLN HE21 H 7.251 0.007 2 1491 411 154 GLN HE22 H 6.402 0.004 2 1492 411 154 GLN C C 176.664 0.000 1 1493 411 154 GLN CA C 54.350 0.033 1 1494 411 154 GLN CB C 32.923 0.100 1 1495 411 154 GLN CG C 33.633 0.032 1 1496 411 154 GLN CD C 179.765 0.013 1 1497 411 154 GLN N N 114.834 0.039 1 1498 411 154 GLN NE2 N 109.953 0.245 1 1499 412 155 VAL H H 8.886 0.013 1 1500 412 155 VAL HA H 5.135 0.005 1 1501 412 155 VAL HB H 1.942 0.012 1 1502 412 155 VAL HG1 H 0.516 0.002 2 1503 412 155 VAL HG2 H 0.593 0.003 2 1504 412 155 VAL C C 174.496 0.000 1 1505 412 155 VAL CA C 58.822 0.052 1 1506 412 155 VAL CB C 35.358 0.066 1 1507 412 155 VAL CG1 C 22.182 0.045 2 1508 412 155 VAL CG2 C 19.274 0.029 2 1509 412 155 VAL N N 113.745 0.054 1 1510 413 156 ASP H H 9.093 0.008 1 1511 413 156 ASP HA H 5.622 0.008 1 1512 413 156 ASP HB2 H 2.244 0.009 2 1513 413 156 ASP HB3 H 2.334 0.003 2 1514 413 156 ASP C C 175.866 0.018 1 1515 413 156 ASP CA C 52.643 0.053 1 1516 413 156 ASP CB C 42.480 0.024 1 1517 413 156 ASP N N 120.467 0.040 1 1518 414 157 VAL H H 8.516 0.009 1 1519 414 157 VAL HA H 4.313 0.006 1 1520 414 157 VAL HG1 H 0.547 0.003 2 1521 414 157 VAL HG2 H 0.717 0.002 2 1522 414 157 VAL C C 173.315 0.000 1 1523 414 157 VAL CA C 61.420 0.054 1 1524 414 157 VAL CB C 33.840 0.017 1 1525 414 157 VAL CG1 C 22.089 0.029 2 1526 414 157 VAL CG2 C 22.177 0.141 2 1527 414 157 VAL N N 121.369 0.036 1 1528 415 158 VAL H H 8.582 0.007 1 1529 415 158 VAL HA H 4.598 0.009 1 1530 415 158 VAL HB H 1.711 0.002 1 1531 415 158 VAL HG1 H 0.575 0.001 1 1532 415 158 VAL HG2 H 0.575 0.001 1 1533 415 158 VAL C C 175.477 0.000 1 1534 415 158 VAL CA C 60.025 0.101 1 1535 415 158 VAL CB C 34.126 0.141 1 1536 415 158 VAL CG1 C 20.705 0.014 1 1537 415 158 VAL CG2 C 20.705 0.014 1 1538 415 158 VAL N N 126.696 0.026 1 1539 416 159 TYR H H 8.745 0.004 1 1540 416 159 TYR HA H 4.691 0.005 1 1541 416 159 TYR HB2 H 2.497 0.007 2 1542 416 159 TYR HB3 H 2.895 0.001 2 1543 416 159 TYR C C 173.978 0.000 1 1544 416 159 TYR CA C 56.929 0.195 1 1545 416 159 TYR CB C 40.005 0.093 1 1546 416 159 TYR N N 125.835 0.026 1 1547 417 160 LYS H H 8.834 0.008 1 1548 417 160 LYS HA H 4.928 0.010 1 1549 417 160 LYS HB2 H 1.680 0.004 2 1550 417 160 LYS HB3 H 1.457 0.017 2 1551 417 160 LYS HG2 H 1.139 0.006 1 1552 417 160 LYS HG3 H 1.139 0.006 1 1553 417 160 LYS HD2 H 1.493 0.019 1 1554 417 160 LYS HD3 H 1.493 0.019 1 1555 417 160 LYS HE2 H 2.728 0.001 1 1556 417 160 LYS HE3 H 2.728 0.001 1 1557 417 160 LYS C C 176.508 0.000 1 1558 417 160 LYS CA C 54.648 0.051 1 1559 417 160 LYS CB C 33.135 0.072 1 1560 417 160 LYS CG C 25.053 0.117 1 1561 417 160 LYS CD C 29.378 0.126 1 1562 417 160 LYS CE C 41.843 0.039 1 1563 417 160 LYS N N 124.782 0.052 1 1564 418 161 VAL H H 9.071 0.004 1 1565 418 161 VAL HA H 5.018 0.002 1 1566 418 161 VAL HB H 1.362 0.003 1 1567 418 161 VAL HG1 H 0.226 0.002 2 1568 418 161 VAL HG2 H 0.461 0.002 2 1569 418 161 VAL C C 173.923 0.000 1 1570 418 161 VAL CA C 58.073 0.034 1 1571 418 161 VAL CB C 33.963 0.093 1 1572 418 161 VAL CG1 C 20.960 0.035 2 1573 418 161 VAL CG2 C 18.230 0.028 2 1574 418 161 VAL N N 119.934 0.032 1 1575 419 162 LYS H H 7.659 0.005 1 1576 419 162 LYS HA H 4.925 0.005 1 1577 419 162 LYS HB2 H 1.644 0.005 2 1578 419 162 LYS HB3 H 1.934 0.004 2 1579 419 162 LYS HG2 H 1.383 0.011 2 1580 419 162 LYS HD2 H 1.640 0.008 2 1581 419 162 LYS HD3 H 1.717 0.003 2 1582 419 162 LYS HE2 H 2.980 0.005 1 1583 419 162 LYS HE3 H 2.980 0.005 1 1584 419 162 LYS C C 177.147 0.000 1 1585 419 162 LYS CA C 54.469 0.090 1 1586 419 162 LYS CB C 34.862 0.069 1 1587 419 162 LYS CG C 24.939 0.057 1 1588 419 162 LYS CD C 29.144 0.102 1 1589 419 162 LYS CE C 42.346 0.043 1 1590 419 162 LYS N N 120.799 0.034 1 1591 420 163 GLU H H 9.729 0.005 1 1592 420 163 GLU HA H 4.620 0.006 1 1593 420 163 GLU HB2 H 2.183 0.008 2 1594 420 163 GLU HB3 H 2.117 0.008 2 1595 420 163 GLU HG2 H 2.388 0.003 2 1596 420 163 GLU HG3 H 2.734 0.007 2 1597 420 163 GLU C C 176.302 0.000 1 1598 420 163 GLU CA C 57.734 0.062 1 1599 420 163 GLU CB C 30.259 0.042 1 1600 420 163 GLU CG C 38.372 0.082 1 1601 420 163 GLU N N 128.123 0.057 1 1602 421 164 ARG H H 8.312 0.003 1 1603 421 164 ARG HA H 4.305 0.003 1 1604 421 164 ARG HB2 H 1.720 0.007 2 1605 421 164 ARG HB3 H 1.565 0.005 2 1606 421 164 ARG HG2 H 1.511 0.008 2 1607 421 164 ARG HG3 H 1.446 0.007 2 1608 421 164 ARG HD2 H 3.051 0.001 2 1609 421 164 ARG HD3 H 3.092 0.009 2 1610 421 164 ARG HE H 6.876 0.003 1 1611 421 164 ARG C C 175.807 0.028 1 1612 421 164 ARG CA C 56.633 0.079 1 1613 421 164 ARG CB C 31.018 0.064 1 1614 421 164 ARG CG C 27.868 0.055 1 1615 421 164 ARG CD C 43.360 0.055 1 1616 421 164 ARG CZ C 159.439 0.000 1 1617 421 164 ARG N N 120.942 0.038 1 1618 421 164 ARG NE N 83.960 0.045 1 1619 422 165 ASN H H 8.793 0.002 1 1620 422 165 ASN HA H 4.747 0.002 1 1621 422 165 ASN HB2 H 2.831 0.001 2 1622 422 165 ASN HB3 H 2.775 0.007 2 1623 422 165 ASN HD21 H 7.598 0.003 2 1624 422 165 ASN HD22 H 6.908 0.002 2 1625 422 165 ASN C C 175.414 0.000 1 1626 422 165 ASN CA C 53.356 0.025 1 1627 422 165 ASN CB C 38.943 0.043 1 1628 422 165 ASN CG C 177.087 0.008 1 1629 422 165 ASN N N 121.065 0.017 1 1630 422 165 ASN ND2 N 112.610 0.243 1 1631 423 166 THR H H 8.226 0.002 1 1632 423 166 THR HA H 4.318 0.008 1 1633 423 166 THR HB H 4.295 0.000 1 1634 423 166 THR HG2 H 1.130 0.001 1 1635 423 166 THR C C 174.261 0.000 1 1636 423 166 THR CA C 61.651 0.036 1 1637 423 166 THR CB C 69.776 0.039 1 1638 423 166 THR CG2 C 21.525 0.043 1 1639 423 166 THR N N 114.272 0.049 1 1640 424 167 GLY H H 8.035 0.002 1 1641 424 167 GLY CA C 46.198 0.000 1 1642 424 167 GLY N N 117.100 0.056 1 stop_ save_