data_4871 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Resonance Assignments and Secondary Structure of the c-Myc Binding Domain (MBD) and the SH3 Domain of the Tumor Suppressor Bin1 ; _BMRB_accession_number 4871 _BMRB_flat_file_name bmr4871.str _Entry_type original _Submission_date 2000-10-20 _Accession_date 2000-10-20 _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 Pineda-Lucena Antonio . . 2 Arrowsmith Cheryl H . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 649 "13C chemical shifts" 581 "15N chemical shifts" 161 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-11-14 original author . stop_ _Original_release_date 2001-11-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N Resonance Assignments and Secondary Structure of the c-Myc Binding Domain (MBD) and the SH3 Domain of the Tumor Suppressor Bin1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21151323 _PubMed_ID 11256816 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pineda-Lucena Antonio . . 2 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 19 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 191 _Page_last 192 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_system_Bin1 _Saveframe_category molecular_system _Mol_system_name Bin1 _Abbreviation_common Bin1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Bin1 $Bin1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomeric _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'Tumor suppressor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Bin1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Bin1 tumor suppressor' _Abbreviation_common Bin1 _Molecular_mass . _Mol_thiol_state 'all free' _Details ; the exon 12A (304-346) of this protein is not present in this construct ; ############################## # Polymer residue sequence # ############################## _Residue_count 170 _Mol_residue_sequence ; DGSPAATPEIRVNHEPEPAG GATPGATLPKSPSQPAEASE VAGGTQPAAGAQEPGETAAS EAASSSLPAVVVETFPATVN GTVEGGSGAGRLDLPPGFMF KVQAQHDYTATDTDELQLKA GDVVLVIPFQNPEEQDEGWL MGVKESDWNQHKKLEKCRGV FPENFTERVP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 270 ASP 2 271 GLY 3 272 SER 4 273 PRO 5 274 ALA 6 275 ALA 7 276 THR 8 277 PRO 9 278 GLU 10 279 ILE 11 280 ARG 12 281 VAL 13 282 ASN 14 283 HIS 15 284 GLU 16 285 PRO 17 286 GLU 18 287 PRO 19 288 ALA 20 289 GLY 21 290 GLY 22 291 ALA 23 292 THR 24 293 PRO 25 294 GLY 26 295 ALA 27 296 THR 28 297 LEU 29 298 PRO 30 299 LYS 31 300 SER 32 301 PRO 33 302 SER 34 303 GLN 35 347 PRO 36 348 ALA 37 349 GLU 38 350 ALA 39 351 SER 40 352 GLU 41 353 VAL 42 354 ALA 43 355 GLY 44 356 GLY 45 357 THR 46 358 GLN 47 359 PRO 48 360 ALA 49 361 ALA 50 362 GLY 51 363 ALA 52 364 GLN 53 365 GLU 54 366 PRO 55 367 GLY 56 368 GLU 57 369 THR 58 370 ALA 59 371 ALA 60 372 SER 61 373 GLU 62 374 ALA 63 375 ALA 64 376 SER 65 377 SER 66 378 SER 67 379 LEU 68 380 PRO 69 381 ALA 70 382 VAL 71 383 VAL 72 384 VAL 73 385 GLU 74 386 THR 75 387 PHE 76 388 PRO 77 389 ALA 78 390 THR 79 391 VAL 80 392 ASN 81 393 GLY 82 394 THR 83 395 VAL 84 396 GLU 85 397 GLY 86 398 GLY 87 399 SER 88 400 GLY 89 401 ALA 90 402 GLY 91 403 ARG 92 404 LEU 93 405 ASP 94 406 LEU 95 407 PRO 96 408 PRO 97 409 GLY 98 410 PHE 99 411 MET 100 412 PHE 101 413 LYS 102 414 VAL 103 415 GLN 104 416 ALA 105 417 GLN 106 418 HIS 107 419 ASP 108 420 TYR 109 421 THR 110 422 ALA 111 423 THR 112 424 ASP 113 425 THR 114 426 ASP 115 427 GLU 116 428 LEU 117 429 GLN 118 430 LEU 119 431 LYS 120 432 ALA 121 433 GLY 122 434 ASP 123 435 VAL 124 436 VAL 125 437 LEU 126 438 VAL 127 439 ILE 128 440 PRO 129 441 PHE 130 442 GLN 131 443 ASN 132 444 PRO 133 445 GLU 134 446 GLU 135 447 GLN 136 448 ASP 137 449 GLU 138 450 GLY 139 451 TRP 140 452 LEU 141 453 MET 142 454 GLY 143 455 VAL 144 456 LYS 145 457 GLU 146 458 SER 147 459 ASP 148 460 TRP 149 461 ASN 150 462 GLN 151 463 HIS 152 464 LYS 153 465 LYS 154 466 LEU 155 467 GLU 156 468 LYS 157 469 CYS 158 470 ARG 159 471 GLY 160 472 VAL 161 473 PHE 162 474 PRO 163 475 GLU 164 476 ASN 165 477 PHE 166 478 THR 167 479 GLU 168 480 ARG 169 481 VAL 170 482 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 DBJ BAE87346 "unnamed protein product [Macaca fascicularis]" 100.00 439 99.41 100.00 8.45e-116 DBJ BAH12028 "unnamed protein product [Homo sapiens]" 100.00 470 98.24 99.41 1.22e-113 GB AAC17461 "bridging integrator protein-1 [Homo sapiens]" 100.00 454 99.41 100.00 7.37e-116 GB AAC24126 "bridging-integrator protein-1 isoform BIN1-10 [Homo sapiens]" 100.00 439 98.82 100.00 2.70e-115 GB AAH04101 "Bridging integrator 1 [Homo sapiens]" 100.00 439 98.82 100.00 2.50e-115 GB AAP35511 "bridging integrator 1 [Homo sapiens]" 100.00 439 98.82 100.00 2.50e-115 GB AAP36521 "Homo sapiens bridging integrator 1 [synthetic construct]" 100.00 440 98.82 100.00 2.39e-115 REF NP_004296 "myc box-dependent-interacting protein 1 isoform 8 [Homo sapiens]" 100.00 454 99.41 100.00 7.37e-116 REF NP_647600 "myc box-dependent-interacting protein 1 isoform 9 [Homo sapiens]" 100.00 439 99.41 100.00 1.10e-115 REF XP_001136213 "PREDICTED: myc box-dependent-interacting protein 1 isoform X26 [Pan troglodytes]" 102.35 474 97.13 97.70 1.04e-112 REF XP_001136476 "PREDICTED: myc box-dependent-interacting protein 1 isoform X27 [Pan troglodytes]" 102.35 458 97.13 97.70 2.59e-113 REF XP_003309275 "PREDICTED: myc box-dependent-interacting protein 1 isoform X28 [Pan troglodytes]" 102.35 443 97.13 97.70 2.98e-113 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Bin1 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 $Bin1 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Bin1 1.5 mM 1.0 1.5 '[U-95% 13C; U-90% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label . save_ save_13C-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label . save_ save_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_15N-edited_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY' _Sample_label . save_ save_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_CC(CO)-NH_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'CC(CO)-NH TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'CC(CO)-NH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 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_ACS_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Bin1 _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 . 1 ASP N N 121.5 0.05 1 2 . 1 ASP H H 8.35 0.02 1 3 . 1 ASP CA C 55.0 0.05 1 4 . 1 ASP HA H 4.56 0.02 1 5 . 1 ASP CB C 41.4 0.05 1 6 . 1 ASP C C 176.6 0.05 1 7 . 2 GLY N N 109.4 0.05 1 8 . 2 GLY H H 8.33 0.02 1 9 . 2 GLY CA C 45.4 0.05 1 10 . 2 GLY HA3 H 3.96 0.02 1 11 . 2 GLY HA2 H 3.96 0.02 1 12 . 2 GLY C C 174.0 0.05 1 13 . 3 SER N N 117.1 0.05 1 14 . 3 SER H H 8.19 0.02 1 15 . 3 SER CA C 56.8 0.05 1 16 . 3 SER HA H 3.85 0.02 1 17 . 3 SER CB C 63.4 0.05 1 18 . 4 PRO CA C 63.0 0.05 1 19 . 4 PRO CB C 31.9 0.05 1 20 . 4 PRO C C 176.8 0.05 1 21 . 5 ALA N N 124.9 0.05 1 22 . 5 ALA H H 8.49 0.02 1 23 . 5 ALA CA C 52.7 0.05 1 24 . 5 ALA HA H 4.30 0.02 1 25 . 5 ALA CB C 19.4 0.05 1 26 . 5 ALA C C 177.6 0.05 1 27 . 6 ALA N N 123.6 0.05 1 28 . 6 ALA H H 8.31 0.02 1 29 . 6 ALA CA C 52.7 0.05 1 30 . 6 ALA HA H 4.28 0.02 1 31 . 6 ALA CB C 19.6 0.05 1 32 . 6 ALA C C 177.7 0.05 1 33 . 7 THR N N 116.1 0.05 1 34 . 7 THR H H 8.22 0.02 1 35 . 7 THR CA C 59.9 0.05 1 36 . 7 THR HA H 4.93 0.02 1 37 . 7 THR CB C 69.8 0.05 1 38 . 7 THR HB H 4.56 0.02 1 39 . 8 PRO CA C 63.3 0.05 1 40 . 8 PRO CB C 32.0 0.05 1 41 . 8 PRO C C 176.7 0.05 1 42 . 9 GLU N N 121.4 0.05 1 43 . 9 GLU H H 8.47 0.02 1 44 . 9 GLU CA C 56.9 0.05 1 45 . 9 GLU HA H 4.22 0.02 1 46 . 9 GLU CB C 30.5 0.05 1 47 . 9 GLU C C 176.3 0.05 1 48 . 10 ILE N N 122.8 0.05 1 49 . 10 ILE H H 8.17 0.02 1 50 . 10 ILE CA C 61.1 0.05 1 51 . 10 ILE HA H 4.13 0.02 1 52 . 10 ILE CB C 38.7 0.05 1 53 . 10 ILE C C 175.9 0.05 1 54 . 11 ARG N N 126.1 0.05 1 55 . 11 ARG H H 8.41 0.02 1 56 . 11 ARG CA C 55.8 0.05 1 57 . 11 ARG HA H 4.37 0.02 1 58 . 11 ARG CB C 31.2 0.05 1 59 . 11 ARG C C 175.9 0.05 1 60 . 12 VAL N N 121.9 0.05 1 61 . 12 VAL H H 8.21 0.02 1 62 . 12 VAL CA C 62.3 0.05 1 63 . 12 VAL HA H 4.06 0.02 1 64 . 12 VAL CB C 33.2 0.05 1 65 . 12 VAL C C 175.9 0.05 1 66 . 13 ASN N N 122.4 0.05 1 67 . 13 ASN H H 8.53 0.02 1 68 . 13 ASN CA C 53.6 0.05 1 69 . 13 ASN HA H 4.74 0.02 1 70 . 13 ASN CB C 39.3 0.05 1 71 . 15 GLU N N 123.9 0.05 1 72 . 15 GLU H H 8.41 0.02 1 73 . 15 GLU CA C 54.9 0.05 1 74 . 15 GLU HA H 4.55 0.02 1 75 . 15 GLU CB C 30.0 0.05 1 76 . 16 PRO CA C 62.7 0.05 1 77 . 16 PRO CB C 32.1 0.05 1 78 . 16 PRO C C 176.6 0.05 1 79 . 17 GLU N N 122.5 0.05 1 80 . 17 GLU H H 8.47 0.02 1 81 . 17 GLU CA C 54.4 0.05 1 82 . 17 GLU HA H 4.52 0.02 1 83 . 17 GLU CB C 30.0 0.05 1 84 . 18 PRO CA C 63.2 0.05 1 85 . 18 PRO CB C 32.0 0.05 1 86 . 18 PRO C C 174.4 0.05 1 87 . 19 ALA N N 124.5 0.05 1 88 . 19 ALA H H 8.43 0.02 1 89 . 19 ALA CA C 52.6 0.05 1 90 . 19 ALA HA H 4.27 0.02 1 91 . 19 ALA CB C 19.5 0.05 1 92 . 19 ALA C C 178.3 0.05 1 93 . 20 GLY N N 108.7 0.05 1 94 . 20 GLY H H 8.39 0.02 1 95 . 20 GLY CA C 45.6 0.05 1 96 . 20 GLY HA3 H 3.97 0.02 1 97 . 20 GLY HA2 H 3.97 0.02 1 98 . 20 GLY C C 174.7 0.05 1 99 . 21 GLY N N 108.7 0.05 1 100 . 21 GLY H H 8.27 0.02 1 101 . 21 GLY CA C 45.4 0.05 1 102 . 21 GLY HA3 H 3.99 0.02 1 103 . 21 GLY HA2 H 3.99 0.02 1 104 . 21 GLY C C 173.8 0.05 1 105 . 22 ALA N N 123.6 0.05 1 106 . 22 ALA H H 8.12 0.02 1 107 . 22 ALA CA C 52.6 0.05 1 108 . 22 ALA HA H 4.30 0.02 1 109 . 22 ALA CB C 19.7 0.05 1 110 . 22 ALA C C 177.5 0.05 1 111 . 23 THR N N 115.8 0.05 1 112 . 23 THR H H 8.12 0.02 1 113 . 23 THR CA C 59.6 0.05 1 114 . 23 THR HA H 4.93 0.02 1 115 . 23 THR CB C 69.5 0.05 1 116 . 23 THR HB H 4.57 0.02 1 117 . 24 PRO CA C 63.8 0.05 1 118 . 24 PRO CB C 31.9 0.05 1 119 . 24 PRO C C 177.6 0.05 1 120 . 25 GLY N N 109.7 0.05 1 121 . 25 GLY H H 8.49 0.02 1 122 . 25 GLY CA C 45.3 0.05 1 123 . 25 GLY HA3 H 3.92 0.02 1 124 . 25 GLY HA2 H 3.92 0.02 1 125 . 25 GLY C C 173.9 0.05 1 126 . 26 ALA N N 123.6 0.05 1 127 . 26 ALA H H 8.05 0.02 1 128 . 26 ALA CA C 52.6 0.05 1 129 . 26 ALA HA H 4.36 0.02 1 130 . 26 ALA CB C 19.7 0.05 1 131 . 26 ALA C C 177.8 0.05 1 132 . 27 THR N N 113.9 0.05 1 133 . 27 THR H H 8.15 0.02 1 134 . 27 THR CA C 61.8 0.05 1 135 . 27 THR HA H 4.30 0.02 1 136 . 27 THR CB C 70.0 0.05 1 137 . 27 THR HB H 4.14 0.02 1 138 . 27 THR C C 173.3 0.05 1 139 . 28 LEU N N 123.8 0.05 1 140 . 28 LEU H H 8.02 0.02 1 141 . 28 LEU CA C 52.7 0.05 1 142 . 28 LEU HA H 4.43 0.02 1 143 . 28 LEU CB C 43.5 0.05 1 144 . 29 PRO CA C 62.9 0.05 1 145 . 29 PRO CB C 31.9 0.05 1 146 . 29 PRO C C 176.7 0.05 1 147 . 30 LYS N N 121.7 0.05 1 148 . 30 LYS H H 8.37 0.02 1 149 . 30 LYS CA C 56.0 0.05 1 150 . 30 LYS HA H 4.29 0.02 1 151 . 30 LYS CB C 33.2 0.05 1 152 . 30 LYS C C 176.5 0.05 1 153 . 31 SER N N 118.7 0.05 1 154 . 31 SER H H 8.38 0.02 1 155 . 31 SER CA C 56.5 0.05 1 156 . 31 SER HA H 4.75 0.02 1 157 . 31 SER CB C 63.4 0.05 1 158 . 32 PRO CA C 63.4 0.05 1 159 . 32 PRO CB C 32.0 0.05 1 160 . 32 PRO C C 176.9 0.05 1 161 . 33 SER N N 115.9 0.05 1 162 . 33 SER H H 8.33 0.02 1 163 . 33 SER CA C 58.5 0.05 1 164 . 33 SER HA H 4.40 0.02 1 165 . 33 SER CB C 64.1 0.05 1 166 . 33 SER C C 174.1 0.05 1 167 . 34 GLN N N 122.9 0.05 1 168 . 34 GLN H H 8.26 0.02 1 169 . 34 GLN CA C 53.8 0.05 1 170 . 34 GLN HA H 4.67 0.02 1 171 . 34 GLN CB C 29.5 0.05 1 172 . 35 PRO CA C 62.9 0.05 1 173 . 35 PRO CB C 31.9 0.05 1 174 . 35 PRO C C 176.4 0.05 1 175 . 36 ALA N N 124.5 0.05 1 176 . 36 ALA H H 8.32 0.02 1 177 . 36 ALA CA C 52.5 0.05 1 178 . 36 ALA HA H 4.29 0.02 1 179 . 36 ALA CB C 19.5 0.05 1 180 . 36 ALA C C 174.6 0.05 1 181 . 37 GLU N N 120.0 0.05 1 182 . 37 GLU H H 8.38 0.02 1 183 . 37 GLU CA C 56.5 0.05 1 184 . 37 GLU HA H 4.32 0.02 1 185 . 37 GLU CB C 30.3 0.05 1 186 . 37 GLU C C 176.3 0.05 1 187 . 38 ALA N N 125.3 0.05 1 188 . 38 ALA H H 8.33 0.02 1 189 . 38 ALA CA C 52.9 0.05 1 190 . 38 ALA HA H 4.29 0.02 1 191 . 38 ALA CB C 19.4 0.05 1 192 . 38 ALA C C 178.1 0.05 1 193 . 39 SER N N 115.0 0.05 1 194 . 39 SER H H 8.25 0.02 1 195 . 39 SER CA C 58.7 0.05 1 196 . 39 SER HA H 4.42 0.02 1 197 . 39 SER CB C 64.0 0.05 1 198 . 39 SER C C 174.9 0.05 1 199 . 40 GLU N N 122.8 0.05 1 200 . 40 GLU H H 8.39 0.02 1 201 . 40 GLU CA C 57.0 0.05 1 202 . 40 GLU HA H 4.27 0.02 1 203 . 40 GLU CB C 30.4 0.05 1 204 . 40 GLU C C 176.6 0.05 1 205 . 41 VAL N N 120.8 0.05 1 206 . 41 VAL H H 8.09 0.02 1 207 . 41 VAL CA C 62.4 0.05 1 208 . 41 VAL HA H 4.09 0.02 1 209 . 41 VAL CB C 32.9 0.05 1 210 . 41 VAL C C 176.0 0.05 1 211 . 42 ALA N N 128.0 0.05 1 212 . 42 ALA H H 8.38 0.02 1 213 . 42 ALA CA C 52.9 0.05 1 214 . 42 ALA HA H 4.32 0.02 1 215 . 42 ALA CB C 19.3 0.05 1 216 . 42 ALA C C 178.3 0.05 1 217 . 43 GLY N N 108.4 0.05 1 218 . 43 GLY H H 8.34 0.02 1 219 . 43 GLY CA C 45.3 0.05 1 220 . 43 GLY HA3 H 3.93 0.02 1 221 . 43 GLY HA2 H 3.93 0.02 1 222 . 43 GLY C C 174.7 0.05 1 223 . 44 GLY N N 108.7 0.05 1 224 . 44 GLY H H 8.21 0.02 1 225 . 44 GLY CA C 45.3 0.05 1 226 . 44 GLY HA3 H 3.96 0.02 1 227 . 44 GLY HA2 H 3.96 0.02 1 228 . 44 GLY C C 174.1 0.05 1 229 . 45 THR N N 114.1 0.05 1 230 . 45 THR H H 8.06 0.02 1 231 . 45 THR CA C 61.9 0.05 1 232 . 45 THR HA H 4.37 0.02 1 233 . 45 THR CB C 70.1 0.05 1 234 . 45 THR HB H 4.21 0.02 1 235 . 45 THR C C 173.4 0.05 1 236 . 46 GLN N N 124.1 0.05 1 237 . 46 GLN H H 8.45 0.02 1 238 . 46 GLN CA C 54.1 0.05 1 239 . 46 GLN HA H 4.58 0.02 1 240 . 46 GLN CB C 29.2 0.05 1 241 . 47 PRO CA C 62.5 0.05 1 242 . 47 PRO CB C 34.3 0.05 1 243 . 47 PRO C C 176.1 0.05 1 244 . 48 ALA N N 125.7 0.05 1 245 . 48 ALA H H 8.60 0.02 1 246 . 48 ALA CA C 53.1 0.05 1 247 . 48 ALA HA H 4.29 0.02 1 248 . 48 ALA CB C 19.4 0.05 1 249 . 48 ALA C C 177.8 0.05 1 250 . 49 ALA N N 123.1 0.05 1 251 . 49 ALA H H 8.22 0.02 1 252 . 49 ALA CA C 52.8 0.05 1 253 . 49 ALA HA H 4.32 0.02 1 254 . 49 ALA CB C 19.4 0.05 1 255 . 49 ALA C C 178.0 0.05 1 256 . 50 GLY N N 108.0 0.05 1 257 . 50 GLY H H 8.27 0.02 1 258 . 50 GLY CA C 45.0 0.05 1 259 . 50 GLY HA3 H 3.88 0.02 1 260 . 50 GLY HA2 H 3.88 0.02 1 261 . 50 GLY C C 177.4 0.05 1 262 . 51 ALA N N 123.4 0.05 1 263 . 51 ALA H H 8.22 0.02 1 264 . 51 ALA CA C 52.6 0.05 1 265 . 51 ALA HA H 4.34 0.02 1 266 . 51 ALA CB C 19.5 0.05 1 267 . 51 ALA C C 177.6 0.05 1 268 . 52 GLN N N 119.7 0.05 1 269 . 52 GLN H H 8.36 0.02 1 270 . 52 GLN CA C 55.7 0.05 1 271 . 52 GLN HA H 4.31 0.02 1 272 . 52 GLN CB C 29.9 0.05 1 273 . 52 GLN C C 175.8 0.05 1 274 . 53 GLU N N 123.9 0.05 1 275 . 53 GLU H H 8.47 0.02 1 276 . 53 GLU CA C 54.8 0.05 1 277 . 53 GLU HA H 4.57 0.02 1 278 . 53 GLU CB C 29.8 0.05 1 279 . 54 PRO CA C 63.8 0.05 1 280 . 54 PRO CB C 32.1 0.05 1 281 . 54 PRO C C 177.6 0.05 1 282 . 55 GLY N N 109.0 0.05 1 283 . 55 GLY H H 8.45 0.02 1 284 . 55 GLY CA C 45.2 0.05 1 285 . 55 GLY HA3 H 3.95 0.02 1 286 . 55 GLY HA2 H 3.95 0.02 1 287 . 55 GLY C C 174.2 0.05 1 288 . 56 GLU N N 120.7 0.05 1 289 . 56 GLU H H 8.24 0.02 1 290 . 56 GLU CA C 56.7 0.05 1 291 . 56 GLU HA H 4.36 0.02 1 292 . 56 GLU CB C 30.7 0.05 1 293 . 56 GLU C C 176.0 0.05 1 294 . 57 THR N N 115.9 0.05 1 295 . 57 THR H H 8.06 0.02 1 296 . 57 THR CA C 61.6 0.05 1 297 . 57 THR HA H 4.22 0.02 1 298 . 57 THR CB C 70.2 0.05 1 299 . 57 THR C C 174.4 0.05 1 300 . 58 ALA N N 126.9 0.05 1 301 . 58 ALA H H 8.36 0.02 1 302 . 58 ALA CA C 52.7 0.05 1 303 . 58 ALA HA H 4.30 0.02 1 304 . 58 ALA CB C 19.6 0.05 1 305 . 58 ALA C C 177.6 0.05 1 306 . 59 ALA N N 123.6 0.05 1 307 . 59 ALA H H 8.30 0.02 1 308 . 59 ALA CA C 52.7 0.05 1 309 . 59 ALA CB C 19.6 0.05 1 310 . 59 ALA C C 178.1 0.05 1 311 . 60 SER N N 114.8 0.05 1 312 . 60 SER H H 8.23 0.02 1 313 . 60 SER CA C 58.7 0.05 1 314 . 60 SER CB C 63.9 0.05 1 315 . 60 SER C C 174.9 0.05 1 316 . 61 GLU N N 122.8 0.05 1 317 . 61 GLU H H 8.38 0.02 1 318 . 61 GLU CA C 57.0 0.05 1 319 . 61 GLU HA H 4.27 0.02 1 320 . 61 GLU CB C 30.4 0.05 1 321 . 61 GLU C C 176.4 0.05 1 322 . 62 ALA N N 124.7 0.05 1 323 . 62 ALA H H 8.22 0.02 1 324 . 62 ALA CA C 53.0 0.05 1 325 . 62 ALA HA H 4.27 0.02 1 326 . 62 ALA CB C 19.3 0.05 1 327 . 62 ALA C C 177.8 0.05 1 328 . 63 ALA N N 123.1 0.05 1 329 . 63 ALA H H 8.20 0.02 1 330 . 63 ALA CA C 52.8 0.05 1 331 . 63 ALA HA H 4.32 0.02 1 332 . 63 ALA CB C 19.4 0.05 1 333 . 63 ALA C C 178.1 0.05 1 334 . 64 SER N N 115.0 0.05 1 335 . 64 SER H H 8.23 0.02 1 336 . 64 SER CA C 58.7 0.05 1 337 . 64 SER HA H 4.42 0.02 1 338 . 64 SER CB C 63.9 0.05 1 339 . 64 SER C C 174.4 0.05 1 340 . 65 SER N N 117.6 0.05 1 341 . 65 SER H H 8.27 0.02 1 342 . 65 SER CA C 58.4 0.05 1 343 . 65 SER HA H 4.49 0.02 1 344 . 65 SER CB C 64.0 0.05 1 345 . 65 SER C C 174.4 0.05 1 346 . 66 SER N N 117.6 0.05 1 347 . 66 SER H H 8.25 0.02 1 348 . 66 SER CA C 58.4 0.05 1 349 . 66 SER HA H 4.49 0.02 1 350 . 66 SER CB C 64.0 0.05 1 351 . 66 SER C C 173.9 0.05 1 352 . 67 LEU N N 125.2 0.05 1 353 . 67 LEU H H 8.14 0.02 1 354 . 67 LEU CA C 53.2 0.05 1 355 . 67 LEU HA H 4.61 0.02 1 356 . 67 LEU CB C 42.0 0.05 1 357 . 68 PRO CA C 63.4 0.05 1 358 . 68 PRO CB C 32.0 0.05 1 359 . 68 PRO C C 176.6 0.05 1 360 . 69 ALA N N 124.0 0.05 1 361 . 69 ALA H H 8.28 0.02 1 362 . 69 ALA CA C 52.3 0.05 1 363 . 69 ALA HA H 4.24 0.02 1 364 . 69 ALA CB C 19.5 0.05 1 365 . 69 ALA C C 177.6 0.05 1 366 . 70 VAL N N 120.6 0.05 1 367 . 70 VAL H H 8.15 0.02 1 368 . 70 VAL CA C 62.5 0.05 1 369 . 70 VAL HA H 4.11 0.02 1 370 . 70 VAL CB C 32.9 0.05 1 371 . 70 VAL C C 175.7 0.05 1 372 . 71 VAL N N 125.7 0.05 1 373 . 71 VAL H H 8.28 0.02 1 374 . 71 VAL CA C 62.5 0.05 1 375 . 71 VAL HA H 4.10 0.02 1 376 . 71 VAL CB C 33.0 0.05 1 377 . 71 VAL C C 175.3 0.05 1 378 . 72 VAL N N 128.2 0.05 1 379 . 72 VAL H H 7.72 0.02 1 380 . 72 VAL CA C 63.4 0.05 1 381 . 72 VAL HA H 4.04 0.02 1 382 . 72 VAL CB C 33.5 0.05 1 383 . 72 VAL C C 175.9 0.05 1 384 . 73 GLU N N 125.5 0.05 1 385 . 73 GLU H H 8.48 0.02 1 386 . 73 GLU CA C 56.5 0.05 1 387 . 73 GLU HA H 4.26 0.02 1 388 . 73 GLU CB C 30.8 0.05 1 389 . 73 GLU C C 176.8 0.05 1 390 . 74 THR N N 115.7 0.05 1 391 . 74 THR H H 8.24 0.02 1 392 . 74 THR CA C 62.0 0.05 1 393 . 74 THR HA H 4.31 0.02 1 394 . 74 THR CB C 70.0 0.05 1 395 . 74 THR HB H 4.17 0.02 1 396 . 74 THR C C 173.6 0.05 1 397 . 75 PHE N N 123.2 0.05 1 398 . 75 PHE H H 8.32 0.02 1 399 . 75 PHE CA C 55.7 0.05 1 400 . 75 PHE HA H 4.90 0.02 1 401 . 75 PHE CB C 39.5 0.05 1 402 . 76 PRO CA C 63.1 0.05 1 403 . 76 PRO CB C 32.0 0.05 1 404 . 76 PRO C C 176.6 0.05 1 405 . 77 ALA N N 124.8 0.05 1 406 . 77 ALA H H 8.42 0.02 1 407 . 77 ALA CA C 52.6 0.05 1 408 . 77 ALA HA H 4.28 0.02 1 409 . 77 ALA CB C 19.5 0.05 1 410 . 77 ALA C C 178.0 0.05 1 411 . 78 THR N N 113.5 0.05 1 412 . 78 THR H H 8.12 0.02 1 413 . 78 THR CA C 61.9 0.05 1 414 . 78 THR HA H 4.33 0.02 1 415 . 78 THR CB C 70.0 0.05 1 416 . 78 THR HB H 4.18 0.02 1 417 . 78 THR C C 174.6 0.05 1 418 . 79 VAL N N 122.6 0.05 1 419 . 79 VAL H H 8.22 0.02 1 420 . 79 VAL CA C 62.1 0.05 1 421 . 79 VAL HA H 4.11 0.02 1 422 . 79 VAL CB C 33.2 0.05 1 423 . 79 VAL C C 175.9 0.05 1 424 . 80 ASN N N 122.4 0.05 1 425 . 80 ASN H H 8.52 0.02 1 426 . 80 ASN CA C 53.6 0.05 1 427 . 80 ASN HA H 4.74 0.02 1 428 . 80 ASN CB C 39.3 0.05 1 429 . 80 ASN C C 175.5 0.05 1 430 . 81 GLY N N 109.4 0.05 1 431 . 81 GLY H H 8.32 0.02 1 432 . 81 GLY CA C 45.4 0.05 1 433 . 81 GLY HA3 H 3.96 0.02 1 434 . 81 GLY HA2 H 3.96 0.02 1 435 . 81 GLY C C 174.3 0.05 1 436 . 82 THR N N 113.8 0.05 1 437 . 82 THR H H 8.10 0.02 1 438 . 82 THR CA C 61.9 0.05 1 439 . 82 THR HA H 4.25 0.02 1 440 . 82 THR CB C 69.9 0.05 1 441 . 82 THR C C 174.6 0.05 1 442 . 83 VAL N N 122.3 0.05 1 443 . 83 VAL H H 8.21 0.02 1 444 . 83 VAL CA C 62.3 0.05 1 445 . 83 VAL HA H 4.12 0.02 1 446 . 83 VAL CB C 33.2 0.05 1 447 . 83 VAL C C 176.2 0.05 1 448 . 84 GLU N N 125.2 0.05 1 449 . 84 GLU H H 8.57 0.02 1 450 . 84 GLU CA C 57.0 0.05 1 451 . 84 GLU HA H 4.28 0.02 1 452 . 84 GLU CB C 30.4 0.05 1 453 . 84 GLU C C 177.0 0.05 1 454 . 85 GLY N N 110.6 0.05 1 455 . 85 GLY H H 8.47 0.02 1 456 . 85 GLY CA C 45.6 0.05 1 457 . 85 GLY HA3 H 3.96 0.02 1 458 . 85 GLY HA2 H 3.96 0.02 1 459 . 85 GLY C C 174.7 0.05 1 460 . 86 GLY N N 108.7 0.05 1 461 . 86 GLY H H 8.26 0.02 1 462 . 86 GLY CA C 45.4 0.05 1 463 . 86 GLY HA3 H 3.98 0.02 1 464 . 86 GLY HA2 H 3.98 0.02 1 465 . 86 GLY C C 174.5 0.05 1 466 . 87 SER N N 115.6 0.05 1 467 . 87 SER H H 8.36 0.02 1 468 . 87 SER CA C 58.5 0.05 1 469 . 87 SER HA H 4.47 0.02 1 470 . 87 SER CB C 64.0 0.05 1 471 . 87 SER C C 175.2 0.05 1 472 . 88 GLY N N 111.1 0.05 1 473 . 88 GLY H H 8.49 0.02 1 474 . 88 GLY CA C 45.6 0.05 1 475 . 88 GLY HA3 H 3.95 0.02 1 476 . 88 GLY HA2 H 3.95 0.02 1 477 . 88 GLY C C 177.4 0.05 1 478 . 89 ALA N N 123.5 0.05 1 479 . 89 ALA H H 8.20 0.02 1 480 . 89 ALA CA C 52.6 0.05 1 481 . 89 ALA HA H 4.33 0.02 1 482 . 89 ALA CB C 19.5 0.05 1 483 . 90 GLY N N 110.1 0.05 1 484 . 90 GLY H H 8.27 0.02 1 485 . 90 GLY CA C 44.9 0.05 1 486 . 90 GLY HA3 H 3.92 0.02 2 487 . 90 GLY HA2 H 3.86 0.02 2 488 . 90 GLY C C 173.5 0.05 1 489 . 91 ARG N N 121.1 0.05 1 490 . 91 ARG H H 7.92 0.02 1 491 . 91 ARG CA C 56.4 0.05 1 492 . 91 ARG HA H 4.31 0.02 1 493 . 91 ARG CB C 31.9 0.05 1 494 . 91 ARG HB2 H 1.87 0.02 2 495 . 91 ARG HB3 H 1.75 0.02 2 496 . 91 ARG CG C 25.6 0.05 1 497 . 91 ARG HG2 H 1.68 0.02 2 498 . 91 ARG HG3 H 1.61 0.02 2 499 . 91 ARG CD C 44.2 0.05 1 500 . 91 ARG HD2 H 3.17 0.02 1 501 . 91 ARG HD3 H 3.17 0.02 1 502 . 91 ARG C C 176.5 0.05 1 503 . 92 LEU N N 124.0 0.05 1 504 . 92 LEU H H 8.78 0.02 1 505 . 92 LEU CA C 55.8 0.05 1 506 . 92 LEU HA H 4.31 0.02 1 507 . 92 LEU CB C 42.6 0.05 1 508 . 92 LEU HB2 H 1.69 0.02 2 509 . 92 LEU HB3 H 1.60 0.02 2 510 . 92 LEU CG C 26.9 0.05 1 511 . 92 LEU HG H 1.42 0.02 1 512 . 92 LEU HD1 H 0.90 0.02 2 513 . 92 LEU HD2 H 0.82 0.02 2 514 . 92 LEU CD1 C 24.9 0.05 1 515 . 92 LEU CD2 C 23.2 0.05 1 516 . 92 LEU C C 177.2 0.05 1 517 . 93 ASP N N 117.2 0.05 1 518 . 93 ASP H H 8.82 0.02 1 519 . 93 ASP CA C 53.1 0.05 1 520 . 93 ASP HA H 4.67 0.02 1 521 . 93 ASP CB C 40.4 0.05 1 522 . 93 ASP HB2 H 2.78 0.02 2 523 . 93 ASP HB3 H 2.71 0.02 2 524 . 93 ASP C C 175.0 0.05 1 525 . 94 LEU N N 123.5 0.05 1 526 . 94 LEU H H 8.43 0.02 1 527 . 94 LEU CA C 52.2 0.05 1 528 . 94 LEU HA H 4.40 0.02 1 529 . 94 LEU CB C 41.9 0.05 1 530 . 94 LEU HB2 H 1.39 0.02 2 531 . 94 LEU HB3 H 0.73 0.02 2 532 . 94 LEU CG C 26.6 0.05 1 533 . 94 LEU HG H 1.36 0.02 1 534 . 94 LEU HD1 H 0.32 0.02 2 535 . 94 LEU HD2 H 0.22 0.02 2 536 . 94 LEU CD1 C 24.4 0.05 1 537 . 94 LEU CD2 C 21.9 0.05 1 538 . 95 PRO CD C 48.9 0.05 1 539 . 95 PRO CA C 61.2 0.05 1 540 . 95 PRO HA H 4.07 0.02 1 541 . 95 PRO CB C 29.5 0.05 1 542 . 95 PRO HB2 H 1.19 0.02 2 543 . 95 PRO HB3 H 0.93 0.02 2 544 . 95 PRO CG C 26.2 0.05 1 545 . 95 PRO HG2 H 1.14 0.02 2 546 . 95 PRO HG3 H 0.28 0.02 2 547 . 95 PRO HD2 H 2.74 0.02 2 548 . 95 PRO HD3 H 1.83 0.02 2 549 . 96 PRO CD C 50.6 0.05 1 550 . 96 PRO CA C 63.3 0.05 1 551 . 96 PRO HA H 4.30 0.02 1 552 . 96 PRO CB C 31.1 0.05 1 553 . 96 PRO HB2 H 2.29 0.02 2 554 . 96 PRO HB3 H 1.85 0.02 2 555 . 96 PRO CG C 27.7 0.05 1 556 . 96 PRO HG2 H 2.13 0.02 1 557 . 96 PRO HG3 H 2.13 0.02 1 558 . 96 PRO HD2 H 3.88 0.02 2 559 . 96 PRO HD3 H 3.37 0.02 2 560 . 96 PRO C C 177.4 0.05 1 561 . 97 GLY N N 111.3 0.05 1 562 . 97 GLY H H 8.75 0.02 1 563 . 97 GLY CA C 45.1 0.05 1 564 . 97 GLY HA3 H 3.79 0.02 2 565 . 97 GLY HA2 H 3.58 0.02 2 566 . 97 GLY C C 173.5 0.05 1 567 . 98 PHE N N 118.3 0.05 1 568 . 98 PHE H H 7.56 0.02 1 569 . 98 PHE CA C 59.1 0.05 1 570 . 98 PHE HA H 3.97 0.02 1 571 . 98 PHE CB C 39.9 0.05 1 572 . 98 PHE HB2 H 3.12 0.02 2 573 . 98 PHE HB3 H 2.63 0.02 2 574 . 98 PHE CD1 C 131.5 0.05 1 575 . 98 PHE HD1 H 6.88 0.02 1 576 . 98 PHE CE1 C 131.5 0.05 1 577 . 98 PHE HE1 H 7.11 0.02 1 578 . 98 PHE CE2 C 131.5 0.05 1 579 . 98 PHE HE2 H 7.11 0.02 1 580 . 98 PHE CD2 C 131.5 0.05 1 581 . 98 PHE HD2 H 6.87 0.02 1 582 . 98 PHE C C 174.4 0.05 1 583 . 99 MET N N 127.4 0.05 1 584 . 99 MET H H 8.19 0.02 1 585 . 99 MET CA C 57.0 0.05 1 586 . 99 MET HA H 4.04 0.02 1 587 . 99 MET CB C 35.9 0.05 1 588 . 99 MET HB2 H 1.91 0.02 2 589 . 99 MET HB3 H 0.79 0.02 2 590 . 99 MET CG C 30.6 0.05 1 591 . 99 MET HG2 H 2.44 0.02 2 592 . 99 MET HG3 H 2.33 0.02 2 593 . 99 MET HE H 1.89 0.02 1 594 . 99 MET CE C 16.0 0.05 1 595 . 99 MET C C 174.3 0.05 1 596 . 100 PHE N N 110.9 0.05 1 597 . 100 PHE H H 5.95 0.02 1 598 . 100 PHE CA C 56.3 0.05 1 599 . 100 PHE HA H 4.22 0.02 1 600 . 100 PHE CB C 38.0 0.05 1 601 . 100 PHE HB2 H 3.46 0.02 2 602 . 100 PHE HB3 H 3.22 0.02 2 603 . 100 PHE CD1 C 132.2 0.05 1 604 . 100 PHE HD1 H 6.83 0.02 1 605 . 100 PHE CE1 C 130.8 0.05 1 606 . 100 PHE HE1 H 7.12 0.02 1 607 . 100 PHE CE2 C 130.8 0.05 1 608 . 100 PHE HE2 H 7.12 0.02 1 609 . 100 PHE CD2 C 132.2 0.05 1 610 . 100 PHE HD2 H 6.82 0.02 1 611 . 100 PHE C C 172.4 0.05 1 612 . 101 LYS N N 118.4 0.05 1 613 . 101 LYS H H 9.29 0.02 1 614 . 101 LYS CA C 55.3 0.05 1 615 . 101 LYS HA H 5.63 0.02 1 616 . 101 LYS CB C 35.5 0.05 1 617 . 101 LYS HB2 H 2.05 0.02 2 618 . 101 LYS HB3 H 1.74 0.02 2 619 . 101 LYS CG C 26.2 0.05 1 620 . 101 LYS HG2 H 1.80 0.02 2 621 . 101 LYS HG3 H 1.46 0.02 2 622 . 101 LYS CD C 29.8 0.05 1 623 . 101 LYS HD2 H 1.63 0.02 1 624 . 101 LYS HD3 H 1.63 0.02 1 625 . 101 LYS CE C 41.6 0.05 1 626 . 101 LYS HE2 H 2.90 0.02 2 627 . 101 LYS HE3 H 2.66 0.02 2 628 . 101 LYS C C 176.5 0.05 1 629 . 102 VAL N N 111.8 0.05 1 630 . 102 VAL H H 9.00 0.02 1 631 . 102 VAL CA C 58.4 0.05 1 632 . 102 VAL HA H 5.35 0.02 1 633 . 102 VAL CB C 36.0 0.05 1 634 . 102 VAL HB H 2.01 0.02 1 635 . 102 VAL HG1 H 1.09 0.02 2 636 . 102 VAL HG2 H 0.72 0.02 2 637 . 102 VAL CG1 C 22.6 0.05 1 638 . 102 VAL CG2 C 19.5 0.05 1 639 . 102 VAL C C 173.8 0.05 1 640 . 103 GLN N N 119.6 0.05 1 641 . 103 GLN H H 9.38 0.02 1 642 . 103 GLN CA C 53.1 0.05 1 643 . 103 GLN HA H 5.44 0.02 1 644 . 103 GLN CB C 32.8 0.05 1 645 . 103 GLN HB2 H 1.91 0.02 2 646 . 103 GLN HB3 H 1.68 0.02 2 647 . 103 GLN CG C 33.7 0.05 1 648 . 103 GLN HG2 H 1.98 0.02 2 649 . 103 GLN HG3 H 1.90 0.02 2 650 . 103 GLN NE2 N 112.0 0.05 1 651 . 103 GLN HE21 H 7.65 0.02 2 652 . 103 GLN HE22 H 6.82 0.02 2 653 . 103 GLN C C 177.0 0.05 1 654 . 104 ALA N N 130.5 0.05 1 655 . 104 ALA H H 9.44 0.02 1 656 . 104 ALA CA C 52.9 0.05 1 657 . 104 ALA HA H 4.43 0.02 1 658 . 104 ALA HB H 1.52 0.02 1 659 . 104 ALA CB C 18.5 0.05 1 660 . 104 ALA C C 178.0 0.05 1 661 . 105 GLN N N 124.2 0.05 1 662 . 105 GLN H H 9.72 0.02 1 663 . 105 GLN CA C 55.0 0.05 1 664 . 105 GLN HA H 4.28 0.02 1 665 . 105 GLN CB C 30.1 0.05 1 666 . 105 GLN HB2 H 1.94 0.02 2 667 . 105 GLN HB3 H 1.68 0.02 2 668 . 105 GLN CG C 34.1 0.05 1 669 . 105 GLN HG2 H 2.29 0.02 2 670 . 105 GLN HG3 H 2.12 0.02 2 671 . 105 GLN NE2 N 113.8 0.05 1 672 . 105 GLN HE21 H 7.04 0.02 2 673 . 105 GLN HE22 H 6.87 0.02 2 674 . 105 GLN C C 174.1 0.05 1 675 . 106 HIS N N 114.6 0.05 1 676 . 106 HIS H H 7.52 0.02 1 677 . 106 HIS CA C 53.2 0.05 1 678 . 106 HIS HA H 4.68 0.02 1 679 . 106 HIS CB C 33.7 0.05 1 680 . 106 HIS HB2 H 3.20 0.02 2 681 . 106 HIS HB3 H 2.75 0.02 2 682 . 106 HIS CD2 C 120.5 0.05 1 683 . 106 HIS HD2 H 6.88 0.02 1 684 . 106 HIS C C 172.1 0.05 1 685 . 107 ASP N N 120.3 0.05 1 686 . 107 ASP H H 8.61 0.02 1 687 . 107 ASP CA C 55.0 0.05 1 688 . 107 ASP HA H 4.46 0.02 1 689 . 107 ASP CB C 40.7 0.05 1 690 . 107 ASP HB2 H 2.81 0.02 2 691 . 107 ASP HB3 H 2.62 0.02 2 692 . 107 ASP C C 176.1 0.05 1 693 . 108 TYR N N 122.2 0.05 1 694 . 108 TYR H H 9.12 0.02 1 695 . 108 TYR CA C 58.4 0.05 1 696 . 108 TYR HA H 4.67 0.02 1 697 . 108 TYR CB C 41.6 0.05 1 698 . 108 TYR HB2 H 2.67 0.02 1 699 . 108 TYR HB3 H 2.67 0.02 1 700 . 108 TYR CE1 C 117.8 0.05 1 701 . 108 TYR HE1 H 6.85 0.02 1 702 . 108 TYR CE2 C 117.8 0.05 1 703 . 108 TYR HE2 H 6.83 0.02 1 704 . 108 TYR C C 173.9 0.05 1 705 . 109 THR N N 125.0 0.05 1 706 . 109 THR H H 7.72 0.02 1 707 . 109 THR CA C 61.2 0.05 1 708 . 109 THR HA H 4.10 0.02 1 709 . 109 THR CB C 69.0 0.05 1 710 . 109 THR HB H 3.74 0.02 1 711 . 109 THR HG2 H 1.09 0.02 1 712 . 109 THR CG2 C 21.5 0.05 1 713 . 109 THR C C 172.3 0.05 1 714 . 110 ALA N N 128.6 0.05 1 715 . 110 ALA H H 7.74 0.02 1 716 . 110 ALA CA C 52.4 0.05 1 717 . 110 ALA HA H 4.31 0.02 1 718 . 110 ALA HB H 1.43 0.02 1 719 . 110 ALA CB C 19.9 0.05 1 720 . 110 ALA C C 178.9 0.05 1 721 . 111 THR N N 115.2 0.05 1 722 . 111 THR H H 9.16 0.02 1 723 . 111 THR CA C 62.3 0.05 1 724 . 111 THR HA H 4.30 0.02 1 725 . 111 THR CB C 69.7 0.05 1 726 . 111 THR HB H 4.34 0.02 1 727 . 111 THR HG2 H 1.28 0.02 1 728 . 111 THR CG2 C 21.8 0.05 1 729 . 111 THR C C 173.9 0.05 1 730 . 112 ASP N N 119.2 0.05 1 731 . 112 ASP H H 7.67 0.02 1 732 . 112 ASP CA C 52.7 0.05 1 733 . 112 ASP HA H 4.78 0.02 1 734 . 112 ASP CB C 43.1 0.05 1 735 . 112 ASP HB2 H 2.80 0.02 1 736 . 112 ASP HB3 H 2.80 0.02 1 737 . 112 ASP C C 177.1 0.05 1 738 . 113 THR N N 112.0 0.05 1 739 . 113 THR H H 8.83 0.02 1 740 . 113 THR CA C 64.0 0.05 1 741 . 113 THR HA H 4.22 0.02 1 742 . 113 THR CB C 68.9 0.05 1 743 . 113 THR HB H 4.40 0.02 1 744 . 113 THR HG2 H 1.32 0.02 1 745 . 113 THR CG2 C 22.0 0.05 1 746 . 113 THR C C 174.7 0.05 1 747 . 114 ASP N N 119.4 0.05 1 748 . 114 ASP H H 8.65 0.02 1 749 . 114 ASP CA C 54.2 0.05 1 750 . 114 ASP HA H 4.79 0.02 1 751 . 114 ASP CB C 40.2 0.05 1 752 . 114 ASP HB2 H 2.82 0.02 1 753 . 114 ASP HB3 H 2.82 0.02 1 754 . 114 ASP C C 175.9 0.05 1 755 . 115 GLU N N 119.0 0.05 1 756 . 115 GLU H H 7.58 0.02 1 757 . 115 GLU CA C 54.7 0.05 1 758 . 115 GLU HA H 5.21 0.02 1 759 . 115 GLU CB C 32.5 0.05 1 760 . 115 GLU HB2 H 2.55 0.02 2 761 . 115 GLU HB3 H 2.41 0.02 2 762 . 115 GLU CG C 36.6 0.05 1 763 . 115 GLU HG2 H 2.35 0.02 1 764 . 115 GLU HG3 H 2.35 0.02 1 765 . 115 GLU C C 176.0 0.05 1 766 . 116 LEU N N 121.9 0.05 1 767 . 116 LEU H H 8.81 0.02 1 768 . 116 LEU CA C 53.7 0.05 1 769 . 116 LEU HA H 4.42 0.02 1 770 . 116 LEU CB C 44.0 0.05 1 771 . 116 LEU HB2 H 1.44 0.02 2 772 . 116 LEU HB3 H 1.32 0.02 2 773 . 116 LEU CG C 25.8 0.05 1 774 . 116 LEU HG H 1.43 0.02 1 775 . 116 LEU HD1 H 0.83 0.02 2 776 . 116 LEU HD2 H 0.79 0.02 2 777 . 116 LEU CD1 C 24.2 0.05 1 778 . 116 LEU C C 174.4 0.05 1 779 . 117 GLN N N 120.8 0.05 1 780 . 117 GLN H H 7.98 0.02 1 781 . 117 GLN CA C 55.2 0.05 1 782 . 117 GLN HA H 4.69 0.02 1 783 . 117 GLN CB C 28.6 0.05 1 784 . 117 GLN HB2 H 2.07 0.02 1 785 . 117 GLN HB3 H 2.07 0.02 1 786 . 117 GLN CG C 32.9 0.05 1 787 . 117 GLN HG2 H 2.54 0.02 2 788 . 117 GLN HG3 H 2.40 0.02 2 789 . 117 GLN NE2 N 111.9 0.05 1 790 . 117 GLN HE21 H 7.48 0.02 2 791 . 117 GLN HE22 H 6.78 0.02 2 792 . 117 GLN C C 176.4 0.05 1 793 . 118 LEU N N 124.3 0.05 1 794 . 118 LEU H H 9.03 0.02 1 795 . 118 LEU CA C 53.0 0.05 1 796 . 118 LEU HA H 4.98 0.02 1 797 . 118 LEU CB C 45.3 0.05 1 798 . 118 LEU HB2 H 1.92 0.02 2 799 . 118 LEU HB3 H 1.17 0.02 2 800 . 118 LEU CG C 25.9 0.05 1 801 . 118 LEU HG H 1.72 0.02 1 802 . 118 LEU HD1 H 0.58 0.02 2 803 . 118 LEU HD2 H 0.54 0.02 2 804 . 118 LEU CD1 C 24.3 0.05 1 805 . 118 LEU C C 176.6 0.05 1 806 . 119 LYS N N 126.0 0.05 1 807 . 119 LYS H H 9.17 0.02 1 808 . 119 LYS CA C 53.2 0.05 1 809 . 119 LYS HA H 4.77 0.02 1 810 . 119 LYS CB C 33.9 0.05 1 811 . 119 LYS HB2 H 1.67 0.02 1 812 . 119 LYS HB3 H 1.67 0.02 1 813 . 119 LYS CG C 24.3 0.05 1 814 . 119 LYS HG2 H 1.43 0.02 1 815 . 119 LYS HG3 H 1.43 0.02 1 816 . 119 LYS CD C 28.5 0.05 1 817 . 119 LYS HD2 H 1.71 0.02 1 818 . 119 LYS HD3 H 1.71 0.02 1 819 . 119 LYS CE C 42.0 0.05 1 820 . 119 LYS HE2 H 3.03 0.02 2 821 . 119 LYS HE3 H 2.98 0.02 2 822 . 119 LYS C C 175.9 0.05 1 823 . 120 ALA N N 124.9 0.05 1 824 . 120 ALA H H 8.96 0.02 1 825 . 120 ALA CA C 54.1 0.05 1 826 . 120 ALA HA H 3.31 0.02 1 827 . 120 ALA HB H 1.11 0.02 1 828 . 120 ALA CB C 17.5 0.05 1 829 . 120 ALA C C 177.7 0.05 1 830 . 121 GLY N N 112.8 0.05 1 831 . 121 GLY H H 8.78 0.02 1 832 . 121 GLY CA C 44.4 0.05 1 833 . 121 GLY HA3 H 4.52 0.02 2 834 . 121 GLY HA2 H 3.51 0.02 2 835 . 121 GLY C C 175.3 0.05 1 836 . 122 ASP N N 122.9 0.05 1 837 . 122 ASP H H 8.77 0.02 1 838 . 122 ASP CA C 55.8 0.05 1 839 . 122 ASP HA H 4.51 0.02 1 840 . 122 ASP CB C 41.8 0.05 1 841 . 122 ASP HB2 H 2.75 0.02 2 842 . 122 ASP HB3 H 2.26 0.02 2 843 . 122 ASP C C 176.2 0.05 1 844 . 123 VAL N N 123.5 0.05 1 845 . 123 VAL H H 8.58 0.02 1 846 . 123 VAL CA C 62.5 0.05 1 847 . 123 VAL HA H 4.75 0.02 1 848 . 123 VAL CB C 32.0 0.05 1 849 . 123 VAL HB H 2.04 0.02 1 850 . 123 VAL HG1 H 1.06 0.02 2 851 . 123 VAL HG2 H 0.92 0.02 2 852 . 123 VAL CG1 C 22.1 0.05 1 853 . 123 VAL C C 176.0 0.05 1 854 . 124 VAL N N 130.1 0.05 1 855 . 124 VAL H H 9.56 0.02 1 856 . 124 VAL CA C 61.1 0.05 1 857 . 124 VAL HA H 4.19 0.02 1 858 . 124 VAL CB C 34.1 0.05 1 859 . 124 VAL HB H 1.51 0.02 1 860 . 124 VAL HG1 H 0.37 0.02 2 861 . 124 VAL HG2 H 0.28 0.02 2 862 . 124 VAL CG1 C 21.7 0.05 1 863 . 124 VAL C C 173.2 0.05 1 864 . 125 LEU N N 126.5 0.05 1 865 . 125 LEU H H 9.22 0.02 1 866 . 125 LEU CA C 54.3 0.05 1 867 . 125 LEU HA H 4.62 0.02 1 868 . 125 LEU CB C 39.9 0.05 1 869 . 125 LEU HB2 H 2.08 0.02 2 870 . 125 LEU HB3 H 1.05 0.02 2 871 . 125 LEU CG C 27.4 0.05 1 872 . 125 LEU HG H 1.65 0.02 1 873 . 125 LEU HD1 H 0.72 0.02 2 874 . 125 LEU HD2 H 0.53 0.02 2 875 . 125 LEU CD1 C 26.0 0.05 1 876 . 125 LEU CD2 C 23.4 0.05 1 877 . 125 LEU C C 174.2 0.05 1 878 . 126 VAL N N 126.6 0.05 1 879 . 126 VAL H H 8.60 0.02 1 880 . 126 VAL CA C 64.0 0.05 1 881 . 126 VAL HA H 4.38 0.02 1 882 . 126 VAL CB C 31.1 0.05 1 883 . 126 VAL HB H 1.13 0.02 1 884 . 126 VAL HG1 H 0.90 0.02 2 885 . 126 VAL HG2 H 0.79 0.02 2 886 . 126 VAL CG1 C 24.4 0.05 1 887 . 126 VAL CG2 C 21.5 0.05 1 888 . 126 VAL C C 174.9 0.05 1 889 . 127 ILE N N 121.8 0.05 1 890 . 127 ILE H H 8.08 0.02 1 891 . 127 ILE CA C 57.8 0.05 1 892 . 127 ILE HA H 4.53 0.02 1 893 . 127 ILE CB C 38.9 0.05 1 894 . 127 ILE HB H 1.87 0.02 1 895 . 127 ILE HG2 H 0.57 0.02 1 896 . 127 ILE CG2 C 17.3 0.05 1 897 . 127 ILE CG1 C 24.7 0.05 1 898 . 127 ILE HG12 H 1.05 0.02 2 899 . 127 ILE HG13 H 0.64 0.02 2 900 . 127 ILE HD1 H 0.65 0.02 1 901 . 127 ILE CD1 C 13.6 0.05 1 902 . 128 PRO CD C 50.2 0.05 1 903 . 128 PRO CA C 62.5 0.05 1 904 . 128 PRO HA H 4.36 0.02 1 905 . 128 PRO CB C 32.1 0.05 1 906 . 128 PRO HB2 H 2.32 0.02 2 907 . 128 PRO HB3 H 1.69 0.02 2 908 . 128 PRO CG C 27.8 0.05 1 909 . 128 PRO HG2 H 1.91 0.02 1 910 . 128 PRO HG3 H 1.91 0.02 1 911 . 128 PRO HD2 H 3.83 0.02 2 912 . 128 PRO HD3 H 3.36 0.02 2 913 . 128 PRO C C 177.6 0.05 1 914 . 129 PHE N N 119.2 0.05 1 915 . 129 PHE H H 8.42 0.02 1 916 . 129 PHE CA C 58.8 0.05 1 917 . 129 PHE HA H 4.12 0.02 1 918 . 129 PHE CB C 39.4 0.05 1 919 . 129 PHE HB2 H 2.83 0.02 2 920 . 129 PHE HB3 H 2.70 0.02 2 921 . 129 PHE CD1 C 131.9 0.05 1 922 . 129 PHE HD1 H 7.31 0.02 1 923 . 129 PHE CE1 C 129.5 0.05 1 924 . 129 PHE HE1 H 7.11 0.02 1 925 . 129 PHE CE2 C 129.5 0.05 1 926 . 129 PHE HE2 H 7.10 0.02 1 927 . 129 PHE CD2 C 131.9 0.05 1 928 . 129 PHE HD2 H 7.30 0.02 1 929 . 129 PHE C C 175.6 0.05 1 930 . 130 GLN N N 122.7 0.05 1 931 . 130 GLN H H 8.48 0.02 1 932 . 130 GLN CA C 57.9 0.05 1 933 . 130 GLN HA H 4.04 0.02 1 934 . 130 GLN CB C 28.6 0.05 1 935 . 130 GLN HB2 H 2.02 0.02 1 936 . 130 GLN HB3 H 2.02 0.02 1 937 . 130 GLN CG C 33.9 0.05 1 938 . 130 GLN HG2 H 2.35 0.02 1 939 . 130 GLN HG3 H 2.35 0.02 1 940 . 130 GLN NE2 N 112.6 0.05 1 941 . 130 GLN HE21 H 7.54 0.02 2 942 . 130 GLN HE22 H 6.82 0.02 2 943 . 130 GLN C C 175.8 0.05 1 944 . 131 ASN N N 115.3 0.05 1 945 . 131 ASN H H 8.11 0.02 1 946 . 131 ASN CA C 49.9 0.05 1 947 . 131 ASN HA H 5.17 0.02 1 948 . 131 ASN CB C 38.8 0.05 1 949 . 131 ASN HB2 H 2.86 0.02 2 950 . 131 ASN HB3 H 2.68 0.02 2 951 . 131 ASN ND2 N 113.4 0.05 1 952 . 131 ASN HD21 H 7.67 0.02 2 953 . 131 ASN HD22 H 6.95 0.02 2 954 . 132 PRO CD C 50.8 0.05 1 955 . 132 PRO CA C 64.5 0.05 1 956 . 132 PRO HA H 4.08 0.02 1 957 . 132 PRO CB C 31.9 0.05 1 958 . 132 PRO HB2 H 2.35 0.02 2 959 . 132 PRO HB3 H 1.96 0.02 2 960 . 132 PRO CG C 27.2 0.05 1 961 . 132 PRO HG2 H 2.04 0.02 1 962 . 132 PRO HG3 H 2.04 0.02 1 963 . 132 PRO HD2 H 3.88 0.02 2 964 . 132 PRO HD3 H 3.72 0.02 2 965 . 132 PRO C C 178.2 0.05 1 966 . 133 GLU N N 117.5 0.05 1 967 . 133 GLU H H 8.73 0.02 1 968 . 133 GLU CA C 57.7 0.05 1 969 . 133 GLU HA H 4.12 0.02 1 970 . 133 GLU CB C 28.7 0.05 1 971 . 133 GLU HB2 H 2.01 0.02 2 972 . 133 GLU HB3 H 1.92 0.02 2 973 . 133 GLU CG C 36.3 0.05 1 974 . 133 GLU HG2 H 2.29 0.02 2 975 . 133 GLU HG3 H 2.21 0.02 2 976 . 133 GLU C C 177.1 0.05 1 977 . 134 GLU N N 117.6 0.05 1 978 . 134 GLU H H 7.73 0.02 1 979 . 134 GLU CA C 55.9 0.05 1 980 . 134 GLU HA H 4.11 0.02 1 981 . 134 GLU CB C 30.0 0.05 1 982 . 134 GLU HB2 H 2.15 0.02 2 983 . 134 GLU HB3 H 2.08 0.02 2 984 . 134 GLU CG C 36.8 0.05 1 985 . 134 GLU HG2 H 2.29 0.02 2 986 . 134 GLU HG3 H 2.21 0.02 2 987 . 134 GLU C C 175.5 0.05 1 988 . 135 GLN N N 119.4 0.05 1 989 . 135 GLN H H 6.94 0.02 1 990 . 135 GLN CA C 55.3 0.05 1 991 . 135 GLN HA H 3.34 0.02 1 992 . 135 GLN CB C 28.2 0.05 1 993 . 135 GLN HB2 H 1.62 0.02 2 994 . 135 GLN HB3 H 0.59 0.02 2 995 . 135 GLN CG C 32.9 0.05 1 996 . 135 GLN HG2 H 1.84 0.02 2 997 . 135 GLN HG3 H 1.60 0.02 2 998 . 135 GLN NE2 N 111.4 0.05 1 999 . 135 GLN HE21 H 7.57 0.02 2 1000 . 135 GLN HE22 H 6.90 0.02 2 1001 . 135 GLN C C 174.9 0.05 1 1002 . 136 ASP N N 127.3 0.05 1 1003 . 136 ASP H H 8.07 0.02 1 1004 . 136 ASP CA C 53.6 0.05 1 1005 . 136 ASP HA H 4.63 0.02 1 1006 . 136 ASP CB C 41.9 0.05 1 1007 . 136 ASP HB2 H 2.52 0.02 2 1008 . 136 ASP HB3 H 2.24 0.02 2 1009 . 136 ASP C C 176.8 0.05 1 1010 . 137 GLU N N 122.6 0.05 1 1011 . 137 GLU H H 8.48 0.02 1 1012 . 137 GLU CA C 57.7 0.05 1 1013 . 137 GLU HA H 4.12 0.02 1 1014 . 137 GLU CB C 29.5 0.05 1 1015 . 137 GLU HB2 H 2.00 0.02 1 1016 . 137 GLU HB3 H 2.00 0.02 1 1017 . 137 GLU CG C 35.8 0.05 1 1018 . 137 GLU HG2 H 2.28 0.02 1 1019 . 137 GLU HG3 H 2.28 0.02 1 1020 . 137 GLU C C 177.8 0.05 1 1021 . 138 GLY N N 112.5 0.05 1 1022 . 138 GLY H H 8.89 0.02 1 1023 . 138 GLY CA C 45.1 0.05 1 1024 . 138 GLY HA3 H 4.23 0.02 2 1025 . 138 GLY HA2 H 3.76 0.02 2 1026 . 138 GLY C C 174.3 0.05 1 1027 . 139 TRP N N 122.5 0.05 1 1028 . 139 TRP H H 8.10 0.02 1 1029 . 139 TRP CA C 56.7 0.05 1 1030 . 139 TRP HA H 4.90 0.02 1 1031 . 139 TRP CB C 30.7 0.05 1 1032 . 139 TRP HB2 H 3.17 0.02 2 1033 . 139 TRP HB3 H 3.02 0.02 2 1034 . 139 TRP CD1 C 127.2 0.05 1 1035 . 139 TRP CE3 C 119.7 0.05 1 1036 . 139 TRP NE1 N 130.0 0.05 1 1037 . 139 TRP HD1 H 7.03 0.02 1 1038 . 139 TRP HE3 H 7.23 0.02 1 1039 . 139 TRP CZ3 C 120.6 0.05 1 1040 . 139 TRP CZ2 C 114.7 0.05 1 1041 . 139 TRP HE1 H 10.09 0.02 1 1042 . 139 TRP HZ3 H 6.73 0.02 1 1043 . 139 TRP CH2 C 124.9 0.05 1 1044 . 139 TRP HZ2 H 7.55 0.02 1 1045 . 139 TRP HH2 H 7.31 0.02 1 1046 . 139 TRP C C 176.3 0.05 1 1047 . 140 LEU N N 121.4 0.05 1 1048 . 140 LEU H H 8.30 0.02 1 1049 . 140 LEU CA C 52.7 0.05 1 1050 . 140 LEU HA H 4.69 0.02 1 1051 . 140 LEU CB C 46.2 0.05 1 1052 . 140 LEU HB2 H 1.11 0.02 2 1053 . 140 LEU HB3 H 0.59 0.02 2 1054 . 140 LEU CG C 27.6 0.05 1 1055 . 140 LEU HG H 0.96 0.02 1 1056 . 140 LEU CD1 C 25.9 0.05 1 1057 . 140 LEU CD2 C 22.6 0.05 1 1058 . 140 LEU HD1 H 0.91 0.02 1 1059 . 140 LEU HD2 H 0.91 0.02 1 1060 . 140 LEU C C 172.9 0.05 1 1061 . 141 MET N N 119.9 0.05 1 1062 . 141 MET H H 8.26 0.02 1 1063 . 141 MET CA C 53.0 0.05 1 1064 . 141 MET HA H 4.86 0.02 1 1065 . 141 MET CB C 32.0 0.05 1 1066 . 141 MET HB2 H 1.67 0.02 2 1067 . 141 MET HB3 H 0.68 0.02 2 1068 . 141 MET CG C 32.7 0.05 1 1069 . 141 MET HG2 H 2.10 0.02 2 1070 . 141 MET HG3 H 1.90 0.02 2 1071 . 141 MET HE H 1.72 0.02 1 1072 . 141 MET CE C 17.2 0.05 1 1073 . 141 MET C C 175.0 0.05 1 1074 . 142 GLY N N 109.7 0.05 1 1075 . 142 GLY H H 8.99 0.02 1 1076 . 142 GLY CA C 45.9 0.05 1 1077 . 142 GLY HA3 H 5.08 0.02 2 1078 . 142 GLY HA2 H 3.60 0.02 2 1079 . 143 VAL N N 114.2 0.05 1 1080 . 143 VAL H H 8.51 0.02 1 1081 . 143 VAL CA C 58.7 0.05 1 1082 . 143 VAL HA H 4.59 0.02 1 1083 . 143 VAL CB C 35.4 0.05 1 1084 . 143 VAL HB H 1.83 0.02 1 1085 . 143 VAL HG1 H 1.08 0.02 2 1086 . 143 VAL HG2 H 0.89 0.02 2 1087 . 143 VAL CG1 C 22.2 0.05 1 1088 . 143 VAL CG2 C 20.8 0.05 1 1089 . 143 VAL C C 174.9 0.05 1 1090 . 144 LYS N N 129.0 0.05 1 1091 . 144 LYS H H 10.30 0.02 1 1092 . 144 LYS CA C 58.7 0.05 1 1093 . 144 LYS HA H 4.21 0.02 1 1094 . 144 LYS CB C 31.0 0.05 1 1095 . 144 LYS HB2 H 2.25 0.02 2 1096 . 144 LYS HB3 H 1.67 0.02 2 1097 . 144 LYS CG C 27.6 0.05 1 1098 . 144 LYS HG2 H 1.84 0.02 2 1099 . 144 LYS HG3 H 1.21 0.02 2 1100 . 144 LYS CD C 28.9 0.05 1 1101 . 144 LYS HD2 H 1.80 0.02 1 1102 . 144 LYS HD3 H 1.80 0.02 1 1103 . 144 LYS CE C 42.2 0.05 1 1104 . 144 LYS HE2 H 2.99 0.02 1 1105 . 144 LYS HE3 H 2.99 0.02 1 1106 . 144 LYS C C 177.8 0.05 1 1107 . 145 GLU N N 127.3 0.05 1 1108 . 145 GLU H H 9.02 0.02 1 1109 . 145 GLU CA C 60.1 0.05 1 1110 . 145 GLU HA H 3.86 0.02 1 1111 . 145 GLU CB C 30.2 0.05 1 1112 . 145 GLU HB2 H 2.18 0.02 2 1113 . 145 GLU HB3 H 1.79 0.02 2 1114 . 145 GLU CG C 37.1 0.05 1 1115 . 145 GLU HG2 H 2.36 0.02 2 1116 . 145 GLU HG3 H 2.19 0.02 2 1117 . 145 GLU C C 177.6 0.05 1 1118 . 146 SER N N 112.8 0.05 1 1119 . 146 SER H H 9.17 0.02 1 1120 . 146 SER CA C 60.8 0.05 1 1121 . 146 SER HA H 4.23 0.02 1 1122 . 146 SER CB C 61.2 0.05 1 1123 . 146 SER HB2 H 3.94 0.02 2 1124 . 146 SER HB3 H 3.91 0.02 2 1125 . 146 SER C C 177.0 0.05 1 1126 . 147 ASP N N 121.8 0.05 1 1127 . 147 ASP H H 6.70 0.02 1 1128 . 147 ASP CA C 57.6 0.05 1 1129 . 147 ASP HA H 4.51 0.02 1 1130 . 147 ASP CB C 41.1 0.05 1 1131 . 147 ASP HB2 H 2.92 0.02 2 1132 . 147 ASP HB3 H 2.81 0.02 2 1133 . 147 ASP C C 174.1 0.05 1 1134 . 148 TRP N N 122.3 0.05 1 1135 . 148 TRP H H 8.37 0.02 1 1136 . 148 TRP CA C 59.4 0.05 1 1137 . 148 TRP HA H 4.43 0.02 1 1138 . 148 TRP CB C 30.3 0.05 1 1139 . 148 TRP HB2 H 3.25 0.02 2 1140 . 148 TRP HB3 H 3.14 0.02 2 1141 . 148 TRP CD1 C 126.9 0.05 1 1142 . 148 TRP CE3 C 120.0 0.05 1 1143 . 148 TRP NE1 N 128.5 0.05 1 1144 . 148 TRP HD1 H 7.20 0.02 1 1145 . 148 TRP HE3 H 7.43 0.02 1 1146 . 148 TRP CZ3 C 122.3 0.05 1 1147 . 148 TRP CZ2 C 115.0 0.05 1 1148 . 148 TRP HE1 H 10.39 0.02 1 1149 . 148 TRP HZ3 H 7.13 0.02 1 1150 . 148 TRP CH2 C 124.2 0.05 1 1151 . 148 TRP HZ2 H 6.89 0.02 1 1152 . 148 TRP HH2 H 7.21 0.02 1 1153 . 148 TRP C C 180.0 0.05 1 1154 . 149 ASN N N 117.8 0.05 1 1155 . 149 ASN H H 8.98 0.02 1 1156 . 149 ASN CA C 54.9 0.05 1 1157 . 149 ASN HA H 4.16 0.02 1 1158 . 149 ASN CB C 37.8 0.05 1 1159 . 149 ASN HB2 H 2.91 0.02 2 1160 . 149 ASN HB3 H 2.82 0.02 2 1161 . 149 ASN ND2 N 110.5 0.05 1 1162 . 149 ASN HD21 H 7.62 0.02 2 1163 . 149 ASN HD22 H 7.14 0.02 2 1164 . 149 ASN C C 176.4 0.05 1 1165 . 150 GLN N N 116.1 0.05 1 1166 . 150 GLN H H 7.13 0.02 1 1167 . 150 GLN CA C 56.0 0.05 1 1168 . 150 GLN HA H 4.35 0.02 1 1169 . 150 GLN CB C 29.5 0.05 1 1170 . 150 GLN HB2 H 2.36 0.02 2 1171 . 150 GLN HB3 H 2.00 0.02 2 1172 . 150 GLN CG C 34.7 0.05 1 1173 . 150 GLN HG2 H 2.60 0.02 2 1174 . 150 GLN HG3 H 2.40 0.02 2 1175 . 150 GLN NE2 N 111.6 0.05 1 1176 . 150 GLN HE21 H 7.25 0.02 2 1177 . 150 GLN HE22 H 6.88 0.02 2 1178 . 150 GLN C C 175.1 0.05 1 1179 . 151 HIS N N 113.1 0.05 1 1180 . 151 HIS H H 7.89 0.02 1 1181 . 151 HIS CA C 57.2 0.05 1 1182 . 151 HIS HA H 3.61 0.02 1 1183 . 151 HIS CB C 25.4 0.05 1 1184 . 151 HIS HB2 H 3.22 0.02 1 1185 . 151 HIS HB3 H 3.22 0.02 1 1186 . 151 HIS CD2 C 120.0 0.05 1 1187 . 151 HIS HD2 H 6.82 0.02 1 1188 . 151 HIS C C 174.7 0.05 1 1189 . 152 LYS N N 116.6 0.05 1 1190 . 152 LYS H H 7.03 0.02 1 1191 . 153 LYS C C 179.0 0.05 1 1192 . 154 LEU N N 130.1 0.05 1 1193 . 154 LEU H H 9.16 0.02 1 1194 . 154 LEU CA C 58.9 0.05 1 1195 . 154 LEU HA H 4.11 0.02 1 1196 . 154 LEU CB C 42.6 0.05 1 1197 . 154 LEU HB2 H 1.94 0.02 2 1198 . 154 LEU HB3 H 1.83 0.02 2 1199 . 154 LEU CG C 27.0 0.05 1 1200 . 154 LEU HG H 1.65 0.02 1 1201 . 154 LEU CD1 C 25.2 0.05 1 1202 . 154 LEU HD1 H 0.95 0.02 1 1203 . 154 LEU HD2 H 0.95 0.02 1 1204 . 154 LEU C C 178.5 0.05 1 1205 . 155 GLU N N 115.0 0.05 1 1206 . 155 GLU H H 9.64 0.02 1 1207 . 155 GLU CA C 59.4 0.05 1 1208 . 155 GLU HA H 3.84 0.02 1 1209 . 155 GLU CB C 28.6 0.05 1 1210 . 155 GLU HB2 H 2.03 0.02 1 1211 . 155 GLU HB3 H 2.03 0.02 1 1212 . 155 GLU CG C 36.5 0.05 1 1213 . 155 GLU HG2 H 2.37 0.02 2 1214 . 155 GLU HG3 H 2.28 0.02 2 1215 . 155 GLU C C 177.2 0.05 1 1216 . 156 LYS N N 114.9 0.05 1 1217 . 156 LYS H H 7.45 0.02 1 1218 . 156 LYS CA C 55.8 0.05 1 1219 . 156 LYS HA H 4.48 0.02 1 1220 . 156 LYS CB C 33.0 0.05 1 1221 . 156 LYS HB2 H 2.05 0.02 2 1222 . 156 LYS HB3 H 1.92 0.02 2 1223 . 156 LYS CG C 24.9 0.05 1 1224 . 156 LYS HG2 H 1.54 0.02 2 1225 . 156 LYS HG3 H 1.41 0.02 2 1226 . 156 LYS CD C 28.2 0.05 1 1227 . 156 LYS HD2 H 1.75 0.02 2 1228 . 156 LYS HD3 H 1.69 0.02 2 1229 . 156 LYS CE C 41.9 0.05 1 1230 . 156 LYS HE2 H 3.05 0.02 2 1231 . 156 LYS HE3 H 3.00 0.02 2 1232 . 156 LYS C C 177.0 0.05 1 1233 . 157 CYS N N 113.0 0.05 1 1234 . 157 CYS H H 7.68 0.02 1 1235 . 157 CYS CA C 58.0 0.05 1 1236 . 157 CYS HA H 4.98 0.02 1 1237 . 157 CYS CB C 29.5 0.05 1 1238 . 157 CYS HB2 H 2.95 0.02 1 1239 . 157 CYS HB3 H 2.95 0.02 1 1240 . 157 CYS C C 174.8 0.05 1 1241 . 158 ARG N N 122.7 0.05 1 1242 . 158 ARG H H 8.06 0.02 1 1243 . 158 ARG CA C 55.3 0.05 1 1244 . 158 ARG HA H 5.14 0.02 1 1245 . 158 ARG CB C 30.4 0.05 1 1246 . 158 ARG HB2 H 1.78 0.02 2 1247 . 158 ARG HB3 H 1.68 0.02 2 1248 . 158 ARG CG C 26.3 0.05 1 1249 . 158 ARG HG2 H 1.71 0.02 2 1250 . 158 ARG HG3 H 1.50 0.02 2 1251 . 158 ARG CD C 44.1 0.05 1 1252 . 158 ARG HD2 H 3.08 0.02 2 1253 . 158 ARG HD3 H 2.84 0.02 2 1254 . 158 ARG C C 174.9 0.05 1 1255 . 159 GLY N N 108.7 0.05 1 1256 . 159 GLY H H 8.99 0.02 1 1257 . 159 GLY CA C 45.8 0.05 1 1258 . 159 GLY HA3 H 4.40 0.02 2 1259 . 159 GLY HA2 H 3.80 0.02 2 1260 . 159 GLY C C 171.6 0.05 1 1261 . 160 VAL N N 112.7 0.05 1 1262 . 160 VAL H H 8.54 0.02 1 1263 . 160 VAL CA C 59.5 0.05 1 1264 . 160 VAL HA H 6.01 0.02 1 1265 . 160 VAL CB C 34.7 0.05 1 1266 . 160 VAL HB H 2.42 0.02 1 1267 . 160 VAL HG1 H 1.05 0.02 2 1268 . 160 VAL HG2 H 0.96 0.02 2 1269 . 160 VAL CG1 C 23.5 0.05 1 1270 . 160 VAL CG2 C 19.8 0.05 1 1271 . 160 VAL C C 176.6 0.05 1 1272 . 161 PHE N N 116.9 0.05 1 1273 . 161 PHE H H 8.93 0.02 1 1274 . 161 PHE CA C 54.8 0.05 1 1275 . 161 PHE HA H 5.00 0.02 1 1276 . 161 PHE CB C 38.5 0.05 1 1277 . 161 PHE HB2 H 3.09 0.02 2 1278 . 161 PHE HB3 H 2.46 0.02 2 1279 . 161 PHE CD1 C 133.1 0.05 1 1280 . 161 PHE HD1 H 6.83 0.02 1 1281 . 161 PHE CE1 C 128.6 0.05 1 1282 . 161 PHE HE1 H 7.22 0.02 1 1283 . 161 PHE CE2 C 128.6 0.05 1 1284 . 161 PHE HE2 H 7.21 0.02 1 1285 . 161 PHE CD2 C 133.1 0.05 1 1286 . 161 PHE HD2 H 6.82 0.02 1 1287 . 162 PRO CD C 49.0 0.05 1 1288 . 162 PRO CA C 60.7 0.05 1 1289 . 162 PRO HA H 3.50 0.02 1 1290 . 162 PRO CB C 29.8 0.05 1 1291 . 162 PRO HB2 H 1.50 0.02 2 1292 . 162 PRO HB3 H 0.76 0.02 2 1293 . 162 PRO CG C 27.3 0.05 1 1294 . 162 PRO HG2 H 1.10 0.02 2 1295 . 162 PRO HG3 H 0.42 0.02 2 1296 . 162 PRO HD2 H 2.38 0.02 2 1297 . 162 PRO HD3 H 2.34 0.02 2 1298 . 162 PRO C C 177.6 0.05 1 1299 . 163 GLU N N 126.6 0.05 1 1300 . 163 GLU H H 8.27 0.02 1 1301 . 163 GLU CA C 59.2 0.05 1 1302 . 163 GLU HA H 3.63 0.02 1 1303 . 163 GLU CB C 29.9 0.05 1 1304 . 163 GLU HB2 H 1.76 0.02 2 1305 . 163 GLU HB3 H 1.68 0.02 2 1306 . 163 GLU CG C 35.6 0.05 1 1307 . 163 GLU HG2 H 2.16 0.02 2 1308 . 163 GLU HG3 H 2.04 0.02 2 1309 . 163 GLU C C 178.6 0.05 1 1310 . 164 ASN N N 114.7 0.05 1 1311 . 164 ASN H H 8.77 0.02 1 1312 . 164 ASN CA C 54.4 0.05 1 1313 . 164 ASN HA H 4.62 0.02 1 1314 . 164 ASN CB C 36.4 0.05 1 1315 . 164 ASN HB2 H 3.02 0.02 2 1316 . 164 ASN HB3 H 2.75 0.02 2 1317 . 164 ASN ND2 N 109.7 0.05 1 1318 . 164 ASN HD21 H 7.43 0.02 2 1319 . 164 ASN HD22 H 6.46 0.02 2 1320 . 164 ASN C C 175.7 0.05 1 1321 . 165 PHE N N 120.0 0.05 1 1322 . 165 PHE H H 7.63 0.02 1 1323 . 165 PHE CA C 58.8 0.05 1 1324 . 165 PHE HA H 4.62 0.02 1 1325 . 165 PHE CB C 38.8 0.05 1 1326 . 165 PHE HB2 H 3.45 0.02 2 1327 . 165 PHE HB3 H 3.08 0.02 2 1328 . 165 PHE CD1 C 131.9 0.05 1 1329 . 165 PHE HD1 H 7.57 0.02 1 1330 . 165 PHE CE1 C 130.9 0.05 1 1331 . 165 PHE HE1 H 7.28 0.02 1 1332 . 165 PHE CE2 C 130.9 0.05 1 1333 . 165 PHE HE2 H 7.28 0.02 1 1334 . 165 PHE CD2 C 131.9 0.05 1 1335 . 165 PHE HD2 H 7.57 0.02 1 1336 . 165 PHE C C 175.2 0.05 1 1337 . 166 THR N N 110.9 0.05 1 1338 . 166 THR H H 8.56 0.02 1 1339 . 166 THR CA C 60.4 0.05 1 1340 . 166 THR HA H 5.36 0.02 1 1341 . 166 THR CB C 72.7 0.05 1 1342 . 166 THR HB H 3.84 0.02 1 1343 . 166 THR HG2 H 0.98 0.02 1 1344 . 166 THR CG2 C 21.6 0.05 1 1345 . 166 THR C C 171.7 0.05 1 1346 . 167 GLU N N 117.0 0.05 1 1347 . 167 GLU H H 8.28 0.02 1 1348 . 167 GLU CA C 54.5 0.05 1 1349 . 167 GLU HA H 4.80 0.02 1 1350 . 167 GLU CB C 33.7 0.05 1 1351 . 167 GLU HB2 H 2.00 0.02 2 1352 . 167 GLU HB3 H 1.83 0.02 2 1353 . 167 GLU CG C 35.9 0.05 1 1354 . 167 GLU HG2 H 2.24 0.02 1 1355 . 167 GLU HG3 H 2.24 0.02 1 1356 . 167 GLU C C 175.6 0.05 1 1357 . 168 ARG N N 124.1 0.05 1 1358 . 168 ARG H H 8.87 0.02 1 1359 . 168 ARG CA C 57.0 0.05 1 1360 . 168 ARG HA H 4.59 0.02 1 1361 . 168 ARG CB C 29.9 0.05 1 1362 . 168 ARG HB2 H 1.76 0.02 2 1363 . 168 ARG HB3 H 1.66 0.02 2 1364 . 168 ARG CG C 27.2 0.05 1 1365 . 168 ARG HG2 H 1.60 0.02 2 1366 . 168 ARG HG3 H 1.50 0.02 2 1367 . 168 ARG CD C 42.7 0.05 1 1368 . 168 ARG HD2 H 2.68 0.02 1 1369 . 168 ARG HD3 H 2.68 0.02 1 1370 . 168 ARG C C 176.3 0.05 1 1371 . 169 VAL N N 122.8 0.05 1 1372 . 169 VAL H H 8.04 0.02 1 1373 . 169 VAL CA C 58.8 0.05 1 1374 . 169 VAL HA H 4.62 0.02 1 1375 . 169 VAL CB C 33.1 0.05 1 1376 . 169 VAL HB H 2.12 0.02 1 1377 . 169 VAL HG1 H 0.99 0.02 2 1378 . 169 VAL HG2 H 0.83 0.02 2 1379 . 169 VAL CG1 C 19.5 0.05 1 1380 . 169 VAL CG2 C 19.9 0.05 1 1381 . 170 PRO CD C 50.5 0.05 1 1382 . 170 PRO CA C 64.5 0.05 1 1383 . 170 PRO HA H 4.29 0.02 1 1384 . 170 PRO CB C 32.0 0.05 1 1385 . 170 PRO HB2 H 2.25 0.02 2 1386 . 170 PRO HB3 H 1.91 0.02 2 1387 . 170 PRO CG C 27.1 0.05 1 1388 . 170 PRO HG2 H 2.01 0.02 2 1389 . 170 PRO HG3 H 1.94 0.02 2 1390 . 170 PRO HD2 H 3.82 0.02 2 1391 . 170 PRO HD3 H 3.69 0.02 2 stop_ save_