data_18580 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N backbone and side chain resonance assignments of the C-terminal DNA binding and dimerization domain of v-Myc ; _BMRB_accession_number 18580 _BMRB_flat_file_name bmr18580.str _Entry_type original _Submission_date 2012-07-09 _Accession_date 2012-07-09 _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 Kizilsavas Gonul . . 2 Saxena Saurabh . . 3 Zerko Szymon . . 4 Kozminski Wiktor . . 5 Bister Klaus . . 6 Konrat Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 545 "13C chemical shifts" 418 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-06-09 update author 'update residue sequence, etc.' 2014-02-19 update BMRB 'update entry citation' 2013-02-08 original author 'original release' stop_ _Original_release_date 2016-06-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, and 15N backbone and side chain resonance assignments of the C-terminal DNA binding and dimerization domain of v-Myc. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23179058 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kzlsava Gonul . . 2 Saxena Saurabh . . 3 erko Szymon . . 4 Komiski Wiktor . . 5 Bister Klaus . . 6 Konrat Robert . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 321 _Page_last 324 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name H6-vMycCterm _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'c-Terminal v-Myc' $c-Terminal_v-Myc stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_c-Terminal_v-Myc _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common c-Terminal_v-Myc _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; MKHHHHHHPMSDYDIPTTEN LYFQGAMVSNNRKCSSPRTL DSEENDKRRTHNVLERQRRN ELKLRFFALRDQIPEVANNE KAPKVVILKKATEYVLSLQS DEHKLIAEKEQLRRRREQLK HNLEQLRNSRA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -26 MET 2 -25 LYS 3 -24 HIS 4 -23 HIS 5 -22 HIS 6 -21 HIS 7 -20 HIS 8 -19 HIS 9 -18 PRO 10 -17 MET 11 -16 SER 12 -15 ASP 13 -14 TYR 14 -13 ASP 15 -12 ILE 16 -11 PRO 17 -10 THR 18 -9 THR 19 -8 GLU 20 -7 ASN 21 -6 LEU 22 -5 TYR 23 -4 PHE 24 -3 GLN 25 -2 GLY 26 -1 ALA 27 0 MET 28 1 VAL 29 314 SER 30 315 ASN 31 316 ASN 32 317 ARG 33 318 LYS 34 319 CYS 35 320 SER 36 321 SER 37 322 PRO 38 323 ARG 39 324 THR 40 325 LEU 41 326 ASP 42 327 SER 43 328 GLU 44 329 GLU 45 330 ASN 46 331 ASP 47 332 LYS 48 333 ARG 49 334 ARG 50 335 THR 51 336 HIS 52 337 ASN 53 338 VAL 54 339 LEU 55 340 GLU 56 341 ARG 57 342 GLN 58 343 ARG 59 344 ARG 60 345 ASN 61 346 GLU 62 347 LEU 63 348 LYS 64 349 LEU 65 350 ARG 66 351 PHE 67 352 PHE 68 353 ALA 69 354 LEU 70 355 ARG 71 356 ASP 72 357 GLN 73 358 ILE 74 359 PRO 75 360 GLU 76 361 VAL 77 362 ALA 78 363 ASN 79 364 ASN 80 365 GLU 81 366 LYS 82 367 ALA 83 368 PRO 84 369 LYS 85 370 VAL 86 371 VAL 87 372 ILE 88 373 LEU 89 374 LYS 90 375 LYS 91 376 ALA 92 377 THR 93 378 GLU 94 379 TYR 95 380 VAL 96 381 LEU 97 382 SER 98 383 LEU 99 384 GLN 100 385 SER 101 386 ASP 102 387 GLU 103 388 HIS 104 389 LYS 105 390 LEU 106 391 ILE 107 392 ALA 108 393 GLU 109 394 LYS 110 395 GLU 111 396 GLN 112 397 LEU 113 398 ARG 114 399 ARG 115 400 ARG 116 401 ARG 117 402 GLU 118 403 GLN 119 404 LEU 120 405 LYS 121 406 HIS 122 407 ASN 123 408 LEU 124 409 GLU 125 410 GLN 126 411 LEU 127 412 ARG 128 413 ASN 129 414 SER 130 415 ARG 131 416 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $c-Terminal_v-Myc . . . . Myelocytomatosis virus 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 $c-Terminal_v-Myc 'recombinant technology' . Escherichia coli . petM11 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 $c-Terminal_v-Myc 0.7 mM '[U-95% 13C; U-90% 15N]' DTT 1 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model 'Direct Drive' _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_5D_HN(CA)CONH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '5D HN(CA)CONH' _Sample_label $sample_1 save_ save_5D_(HACA)CON(CA)CONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '5D (HACA)CON(CA)CONH' _Sample_label $sample_1 save_ save_5D_(H)NCO(NCA)CONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '5D (H)NCO(NCA)CONH' _Sample_label $sample_1 save_ save_5D_HNCACOCB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '5D HNCACOCB' _Sample_label $sample_1 save_ save_5D_HabCabCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '5D HabCabCONH' _Sample_label $sample_1 save_ save_5D_H(CC-tocsy)CONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '5D H(CC-tocsy)CONH' _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' 120 . mM pH 6.6 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '5D HN(CA)CONH' '5D (HACA)CON(CA)CONH' '5D (H)NCO(NCA)CONH' '5D HNCACOCB' '5D HabCabCONH' '5D H(CC-tocsy)CONH' 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 'c-Terminal v-Myc' _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 -19 8 HIS C C 172.92 0.3 1 2 -18 9 PRO HA H 4.391 0.02 1 3 -18 9 PRO HB2 H 2.288 0.02 2 4 -18 9 PRO HB3 H 1.935 0.02 2 5 -18 9 PRO HG2 H 1.954 0.02 1 6 -18 9 PRO HG3 H 1.954 0.02 1 7 -18 9 PRO C C 177.04 0.3 1 8 -18 9 PRO CA C 63.44 0.3 1 9 -18 9 PRO CB C 32.19 0.3 1 10 -18 9 PRO CG C 27.489 0.3 1 11 -18 9 PRO N N 108.89 0.3 1 12 -17 10 MET H H 8.71 0.02 1 13 -17 10 MET HA H 4.495 0.02 1 14 -17 10 MET HB2 H 2.584 0.02 1 15 -17 10 MET HB3 H 2.584 0.02 1 16 -17 10 MET C C 176.42 0.3 1 17 -17 10 MET CA C 55.72 0.3 1 18 -17 10 MET CB C 32.86 0.3 1 19 -17 10 MET N N 120.45 0.3 1 20 -16 11 SER H H 8.27 0.02 1 21 -16 11 SER HA H 4.431 0.02 1 22 -16 11 SER HB2 H 3.846 0.02 2 23 -16 11 SER HB3 H 3.767 0.02 2 24 -16 11 SER C C 174.33 0.3 1 25 -16 11 SER CA C 58.41 0.3 1 26 -16 11 SER CB C 64.07 0.3 1 27 -16 11 SER N N 116.16 0.3 1 28 -15 12 ASP H H 8.32 0.02 1 29 -15 12 ASP HA H 4.521 0.02 1 30 -15 12 ASP HB2 H 2.566 0.02 2 31 -15 12 ASP HB3 H 2.46 0.02 2 32 -15 12 ASP C C 175.87 0.3 1 33 -15 12 ASP CA C 54.83 0.3 1 34 -15 12 ASP CB C 40.9 0.3 1 35 -15 12 ASP N N 121.93 0.3 1 36 -14 13 TYR H H 7.9 0.02 1 37 -14 13 TYR HA H 4.528 0.02 1 38 -14 13 TYR HB2 H 3.057 0.02 2 39 -14 13 TYR HB3 H 2.87 0.02 2 40 -14 13 TYR C C 175.3 0.3 1 41 -14 13 TYR CA C 57.69 0.3 1 42 -14 13 TYR CB C 38.89 0.3 1 43 -14 13 TYR N N 118.81 0.3 1 44 -13 14 ASP H H 8.13 0.02 1 45 -13 14 ASP HA H 4.598 0.02 1 46 -13 14 ASP HB2 H 2.648 0.02 2 47 -13 14 ASP HB3 H 2.549 0.02 2 48 -13 14 ASP C C 175.45 0.3 1 49 -13 14 ASP CA C 54.22 0.3 1 50 -13 14 ASP CB C 41.32 0.3 1 51 -13 14 ASP N N 121.61 0.3 1 52 -12 15 ILE H H 7.92 0.02 1 53 -12 15 ILE C C 174.61 0.3 1 54 -12 15 ILE N N 122.18 0.3 1 55 -11 16 PRO HA H 4.493 0.02 1 56 -11 16 PRO HB2 H 2.272 0.02 2 57 -11 16 PRO HB3 H 1.914 0.02 2 58 -11 16 PRO HG2 H 1.979 0.02 1 59 -11 16 PRO HG3 H 1.979 0.02 1 60 -11 16 PRO C C 177.16 0.3 1 61 -11 16 PRO CA C 63.31 0.3 1 62 -11 16 PRO CB C 32.19 0.3 1 63 -11 16 PRO CG C 27.534 0.3 1 64 -11 16 PRO N N 111.5 0.3 1 65 -10 17 THR H H 8.28 0.02 1 66 -10 17 THR HA H 4.386 0.02 1 67 -10 17 THR HB H 4.287 0.02 1 68 -10 17 THR HG2 H 1.22 0.02 1 69 -10 17 THR C C 175.0 0.3 1 70 -10 17 THR CA C 61.89 0.3 1 71 -10 17 THR CB C 69.87 0.3 1 72 -10 17 THR CG2 C 21.56 0.3 1 73 -10 17 THR N N 114.44 0.3 1 74 -9 18 THR H H 8.09 0.02 1 75 -9 18 THR HA H 4.284 0.02 1 76 -9 18 THR HB H 4.255 0.02 1 77 -9 18 THR HG2 H 1.206 0.02 1 78 -9 18 THR C C 174.78 0.3 1 79 -9 18 THR CA C 62.29 0.3 1 80 -9 18 THR CB C 69.67 0.3 1 81 -9 18 THR CG2 C 21.794 0.3 1 82 -9 18 THR N N 115.18 0.3 1 83 -8 19 GLU H H 8.38 0.02 1 84 -8 19 GLU HA H 4.236 0.02 1 85 -8 19 GLU HB2 H 2.031 0.02 2 86 -8 19 GLU HB3 H 1.92 0.02 2 87 -8 19 GLU HG2 H 2.235 0.02 1 88 -8 19 GLU HG3 H 2.235 0.02 1 89 -8 19 GLU C C 176.19 0.3 1 90 -8 19 GLU CA C 57.06 0.3 1 91 -8 19 GLU CB C 30.29 0.3 1 92 -8 19 GLU CG C 36.357 0.3 1 93 -8 19 GLU N N 122.54 0.3 1 94 -7 20 ASN H H 8.34 0.02 1 95 -7 20 ASN HA H 4.641 0.02 1 96 -7 20 ASN HB2 H 2.757 0.02 1 97 -7 20 ASN HB3 H 2.757 0.02 1 98 -7 20 ASN C C 175.19 0.3 1 99 -7 20 ASN CA C 53.48 0.3 1 100 -7 20 ASN CB C 38.82 0.3 1 101 -7 20 ASN N N 119.23 0.3 1 102 -6 21 LEU H H 8.09 0.02 1 103 -6 21 LEU HA H 4.197 0.02 1 104 -6 21 LEU HB2 H 1.471 0.02 2 105 -6 21 LEU HB3 H 1.337 0.02 2 106 -6 21 LEU HD1 H 0.851 0.02 2 107 -6 21 LEU HD2 H 0.783 0.02 2 108 -6 21 LEU C C 177.07 0.3 1 109 -6 21 LEU CA C 55.66 0.3 1 110 -6 21 LEU CB C 42.35 0.3 1 111 -6 21 LEU CD1 C 24.909 0.3 2 112 -6 21 LEU CD2 C 23.418 0.3 2 113 -6 21 LEU N N 122.11 0.3 1 114 -5 22 TYR H H 8.04 0.02 1 115 -5 22 TYR HA H 4.508 0.02 1 116 -5 22 TYR HB2 H 2.933 0.02 2 117 -5 22 TYR HB3 H 2.848 0.02 2 118 -5 22 TYR C C 175.7 0.3 1 119 -5 22 TYR CA C 58.03 0.3 1 120 -5 22 TYR CB C 38.74 0.3 1 121 -5 22 TYR N N 119.5 0.3 1 122 -4 23 PHE H H 8.03 0.02 1 123 -4 23 PHE HA H 4.551 0.02 1 124 -4 23 PHE HB2 H 3.078 0.02 2 125 -4 23 PHE HB3 H 3.003 0.02 2 126 -4 23 PHE C C 175.53 0.3 1 127 -4 23 PHE CA C 57.87 0.3 1 128 -4 23 PHE CB C 39.7 0.3 1 129 -4 23 PHE N N 121.15 0.3 1 130 -3 24 GLN H H 8.28 0.02 1 131 -3 24 GLN HA H 4.183 0.02 1 132 -3 24 GLN HB2 H 2.069 0.02 2 133 -3 24 GLN HB3 H 1.904 0.02 2 134 -3 24 GLN HG2 H 2.236 0.02 1 135 -3 24 GLN HG3 H 2.236 0.02 1 136 -3 24 GLN C C 176.19 0.3 1 137 -3 24 GLN CA C 56.21 0.3 1 138 -3 24 GLN CB C 29.18 0.3 1 139 -3 24 GLN CG C 33.833 0.3 1 140 -3 24 GLN N N 122.22 0.3 1 141 -2 25 GLY H H 7.93 0.02 1 142 -2 25 GLY HA2 H 3.913 0.02 2 143 -2 25 GLY HA3 H 3.832 0.02 2 144 -2 25 GLY C C 173.77 0.3 1 145 -2 25 GLY CA C 45.44 0.3 1 146 -2 25 GLY N N 108.94 0.3 1 147 -1 26 ALA H H 8.07 0.02 1 148 -1 26 ALA HA H 4.321 0.02 1 149 -1 26 ALA HB H 1.363 0.02 1 150 -1 26 ALA C C 177.65 0.3 1 151 -1 26 ALA CA C 52.51 0.3 1 152 -1 26 ALA CB C 19.51 0.3 1 153 -1 26 ALA N N 123.33 0.3 1 154 0 27 MET H H 8.3 0.02 1 155 0 27 MET HA H 4.437 0.02 1 156 0 27 MET HB2 H 2.038 0.02 1 157 0 27 MET HB3 H 2.038 0.02 1 158 0 27 MET C C 176.31 0.3 1 159 0 27 MET CA C 55.67 0.3 1 160 0 27 MET CB C 32.83 0.3 1 161 0 27 MET N N 119.3 0.3 1 162 1 28 VAL H H 8.07 0.02 1 163 1 28 VAL HA H 4.133 0.02 1 164 1 28 VAL HB H 2.062 0.02 1 165 1 28 VAL HG1 H 0.922 0.02 1 166 1 28 VAL HG2 H 0.922 0.02 1 167 1 28 VAL C C 176.14 0.3 1 168 1 28 VAL CA C 62.33 0.3 1 169 1 28 VAL CB C 32.84 0.3 1 170 1 28 VAL CG1 C 21.213 0.3 2 171 1 28 VAL N N 121.05 0.3 1 172 314 29 SER H H 8.33 0.02 1 173 314 29 SER C C 174.44 0.3 1 174 314 29 SER N N 118.8 0.3 1 175 315 30 ASN HA H 4.701 0.02 1 176 315 30 ASN HB2 H 2.798 0.02 1 177 315 30 ASN HB3 H 2.798 0.02 1 178 315 30 ASN C C 175.02 0.3 1 179 315 30 ASN CA C 53.42 0.3 1 180 315 30 ASN CB C 38.81 0.3 1 181 315 30 ASN N N 120.95 0.3 1 182 316 31 ASN H H 8.36 0.02 1 183 316 31 ASN HA H 4.671 0.02 1 184 316 31 ASN HB2 H 2.83 0.02 2 185 316 31 ASN HB3 H 2.755 0.02 2 186 316 31 ASN C C 175.21 0.3 1 187 316 31 ASN CA C 53.44 0.3 1 188 316 31 ASN CB C 38.72 0.3 1 189 316 31 ASN N N 118.86 0.3 1 190 317 32 ARG H H 8.2 0.02 1 191 317 32 ARG HA H 4.299 0.02 1 192 317 32 ARG HB2 H 1.856 0.02 2 193 317 32 ARG HB3 H 1.756 0.02 2 194 317 32 ARG HG2 H 1.604 0.02 1 195 317 32 ARG HG3 H 1.604 0.02 1 196 317 32 ARG C C 176.31 0.3 1 197 317 32 ARG CA C 56.36 0.3 1 198 317 32 ARG CB C 30.7 0.3 1 199 317 32 ARG CG C 27.251 0.3 1 200 317 32 ARG N N 121.01 0.3 1 201 318 33 LYS H H 8.32 0.02 1 202 318 33 LYS N N 122.3 0.3 1 203 319 34 CYS H H 8.0 0.02 1 204 319 34 CYS C C 177.11 0.3 1 205 319 34 CYS CA C 57.38 0.3 1 206 319 34 CYS CB C 32.58 0.3 1 207 319 34 CYS N N 120.45 0.3 1 208 320 35 SER H H 7.94 0.02 1 209 320 35 SER N N 120.81 0.3 1 210 321 36 SER HA H 4.496 0.02 1 211 321 36 SER HB2 H 3.865 0.02 1 212 321 36 SER HB3 H 3.865 0.02 1 213 321 36 SER C C 172.54 0.3 1 214 321 36 SER CA C 58.354 0.3 1 215 321 36 SER CB C 63.975 0.3 1 216 322 37 PRO HA H 4.432 0.02 1 217 322 37 PRO HB2 H 2.279 0.02 2 218 322 37 PRO HB3 H 1.912 0.02 2 219 322 37 PRO HG2 H 2.007 0.02 1 220 322 37 PRO HG3 H 2.007 0.02 1 221 322 37 PRO C C 176.85 0.3 1 222 322 37 PRO CA C 63.4 0.3 1 223 322 37 PRO CB C 32.13 0.3 1 224 322 37 PRO CG C 27.374 0.3 1 225 322 37 PRO N N 109.76 0.3 1 226 323 38 ARG H H 8.41 0.02 1 227 323 38 ARG HA H 4.368 0.02 1 228 323 38 ARG HB2 H 1.853 0.02 2 229 323 38 ARG HB3 H 1.761 0.02 2 230 323 38 ARG HG2 H 1.65 0.02 1 231 323 38 ARG HG3 H 1.65 0.02 1 232 323 38 ARG C C 176.56 0.3 1 233 323 38 ARG CA C 56.21 0.3 1 234 323 38 ARG CB C 30.9 0.3 1 235 323 38 ARG CG C 27.105 0.3 1 236 323 38 ARG N N 121.21 0.3 1 237 324 39 THR H H 8.19 0.02 1 238 324 39 THR HA H 4.33 0.02 1 239 324 39 THR HB H 4.222 0.02 1 240 324 39 THR HG2 H 1.207 0.02 1 241 324 39 THR C C 174.61 0.3 1 242 324 39 THR CA C 61.81 0.3 1 243 324 39 THR CB C 69.93 0.3 1 244 324 39 THR CG2 C 21.802 0.3 1 245 324 39 THR N N 115.75 0.3 1 246 325 40 LEU H H 8.35 0.02 1 247 325 40 LEU HA H 4.348 0.02 1 248 325 40 LEU HB2 H 1.613 0.02 1 249 325 40 LEU HB3 H 1.613 0.02 1 250 325 40 LEU C C 177.27 0.3 1 251 325 40 LEU CA C 55.47 0.3 1 252 325 40 LEU CB C 42.36 0.3 1 253 325 40 LEU N N 124.33 0.3 1 254 326 41 ASP H H 8.34 0.02 1 255 326 41 ASP HA H 4.595 0.02 1 256 326 41 ASP HB2 H 2.714 0.02 2 257 326 41 ASP HB3 H 2.635 0.02 2 258 326 41 ASP C C 176.53 0.3 1 259 326 41 ASP CA C 54.7 0.3 1 260 326 41 ASP CB C 41.21 0.3 1 261 326 41 ASP N N 121.09 0.3 1 262 327 42 SER H H 8.21 0.02 1 263 327 42 SER HA H 4.377 0.02 1 264 327 42 SER HB2 H 3.954 0.02 2 265 327 42 SER HB3 H 3.855 0.02 2 266 327 42 SER C C 175.1 0.3 1 267 327 42 SER CA C 59.04 0.3 1 268 327 42 SER CB C 63.8 0.3 1 269 327 42 SER N N 115.89 0.3 1 270 328 43 GLU H H 8.42 0.02 1 271 328 43 GLU HA H 4.257 0.02 1 272 328 43 GLU HB2 H 2.089 0.02 2 273 328 43 GLU HB3 H 2.001 0.02 2 274 328 43 GLU HG2 H 2.274 0.02 1 275 328 43 GLU HG3 H 2.274 0.02 1 276 328 43 GLU C C 177.26 0.3 1 277 328 43 GLU CA C 57.44 0.3 1 278 328 43 GLU CB C 30.06 0.3 1 279 328 43 GLU CG C 36.469 0.3 1 280 328 43 GLU N N 122.66 0.3 1 281 329 44 GLU H H 8.34 0.02 1 282 329 44 GLU HA H 4.172 0.02 1 283 329 44 GLU HB2 H 2.003 0.02 1 284 329 44 GLU HB3 H 2.003 0.02 1 285 329 44 GLU HG2 H 2.265 0.02 1 286 329 44 GLU HG3 H 2.265 0.02 1 287 329 44 GLU C C 177.13 0.3 1 288 329 44 GLU CA C 57.48 0.3 1 289 329 44 GLU CB C 29.9 0.3 1 290 329 44 GLU CG C 36.209 0.3 1 291 329 44 GLU N N 120.72 0.3 1 292 330 45 ASN H H 8.31 0.02 1 293 330 45 ASN HA H 4.601 0.02 1 294 330 45 ASN HB2 H 2.81 0.02 1 295 330 45 ASN HB3 H 2.81 0.02 1 296 330 45 ASN C C 175.81 0.3 1 297 330 45 ASN CA C 54.31 0.3 1 298 330 45 ASN CB C 38.9 0.3 1 299 330 45 ASN N N 118.84 0.3 1 300 331 46 ASP H H 8.28 0.02 1 301 331 46 ASP HA H 4.53 0.02 1 302 331 46 ASP HB2 H 2.723 0.02 1 303 331 46 ASP HB3 H 2.723 0.02 1 304 331 46 ASP C C 177.23 0.3 1 305 331 46 ASP CA C 55.36 0.3 1 306 331 46 ASP CB C 41.0 0.3 1 307 331 46 ASP N N 120.55 0.3 1 308 332 47 LYS H H 8.17 0.02 1 309 332 47 LYS HA H 4.202 0.02 1 310 332 47 LYS HB2 H 1.861 0.02 1 311 332 47 LYS HB3 H 1.861 0.02 1 312 332 47 LYS C C 177.54 0.3 1 313 332 47 LYS CA C 57.48 0.3 1 314 332 47 LYS CB C 32.45 0.3 1 315 332 47 LYS N N 121.21 0.3 1 316 333 48 ARG H H 8.11 0.02 1 317 333 48 ARG HA H 4.225 0.02 1 318 333 48 ARG HB2 H 1.871 0.02 1 319 333 48 ARG HB3 H 1.871 0.02 1 320 333 48 ARG C C 177.0 0.3 1 321 333 48 ARG CA C 57.1 0.3 1 322 333 48 ARG CB C 30.4 0.3 1 323 333 48 ARG N N 119.75 0.3 1 324 334 49 ARG H H 8.1 0.02 1 325 334 49 ARG HA H 4.319 0.02 1 326 334 49 ARG HB2 H 1.885 0.02 2 327 334 49 ARG HB3 H 1.859 0.02 2 328 334 49 ARG C C 176.92 0.3 1 329 334 49 ARG CA C 56.92 0.3 1 330 334 49 ARG CB C 30.63 0.3 1 331 334 49 ARG N N 120.54 0.3 1 332 335 50 THR H H 8.08 0.02 1 333 335 50 THR N N 114.15 0.3 1 334 336 51 HIS C C 175.2 0.3 1 335 337 52 ASN H H 8.41 0.02 1 336 337 52 ASN HA H 4.651 0.02 1 337 337 52 ASN HB2 H 2.82 0.02 2 338 337 52 ASN HB3 H 2.528 0.02 2 339 337 52 ASN C C 175.9 0.3 1 340 337 52 ASN CA C 53.9 0.3 1 341 337 52 ASN CB C 38.74 0.3 1 342 337 52 ASN N N 119.93 0.3 1 343 338 53 VAL H H 8.15 0.02 1 344 338 53 VAL HA H 3.905 0.02 1 345 338 53 VAL HB H 2.125 0.02 1 346 338 53 VAL HG1 H 0.952 0.02 1 347 338 53 VAL HG2 H 0.952 0.02 1 348 338 53 VAL C C 176.96 0.3 1 349 338 53 VAL CA C 64.187 0.3 1 350 338 53 VAL CB C 32.334 0.3 1 351 338 53 VAL CG1 C 21.178 0.3 2 352 338 53 VAL N N 120.97 0.3 1 353 339 54 LEU H H 8.14 0.02 1 354 339 54 LEU HA H 4.232 0.02 1 355 339 54 LEU HB2 H 1.712 0.02 2 356 339 54 LEU HB3 H 1.565 0.02 2 357 339 54 LEU C C 178.47 0.3 1 358 339 54 LEU CA C 56.43 0.3 1 359 339 54 LEU CB C 41.89 0.3 1 360 339 54 LEU N N 123.32 0.3 1 361 340 55 GLU H H 8.22 0.02 1 362 340 55 GLU HA H 4.152 0.02 1 363 340 55 GLU HB2 H 2.01 0.02 1 364 340 55 GLU HB3 H 2.01 0.02 1 365 340 55 GLU HG2 H 2.248 0.02 1 366 340 55 GLU HG3 H 2.248 0.02 1 367 340 55 GLU C C 177.68 0.3 1 368 340 55 GLU CA C 57.88 0.3 1 369 340 55 GLU CB C 29.87 0.3 1 370 340 55 GLU CG C 36.154 0.3 1 371 340 55 GLU N N 120.87 0.3 1 372 341 56 ARG H H 8.12 0.02 1 373 341 56 ARG HA H 4.124 0.02 1 374 341 56 ARG HB2 H 1.868 0.02 1 375 341 56 ARG HB3 H 1.868 0.02 1 376 341 56 ARG C C 177.47 0.3 1 377 341 56 ARG CA C 57.91 0.3 1 378 341 56 ARG CB C 30.41 0.3 1 379 341 56 ARG N N 120.55 0.3 1 380 342 57 GLN H H 8.22 0.02 1 381 342 57 GLN HA H 4.212 0.02 1 382 342 57 GLN HB2 H 2.116 0.02 1 383 342 57 GLN HB3 H 2.116 0.02 1 384 342 57 GLN HG2 H 2.399 0.02 1 385 342 57 GLN HG3 H 2.399 0.02 1 386 342 57 GLN C C 177.21 0.3 1 387 342 57 GLN CA C 57.38 0.3 1 388 342 57 GLN CB C 28.86 0.3 1 389 342 57 GLN CG C 33.89 0.3 1 390 342 57 GLN N N 119.9 0.3 1 391 343 58 ARG H H 8.25 0.02 1 392 343 58 ARG HA H 4.215 0.02 1 393 343 58 ARG HB2 H 1.857 0.02 1 394 343 58 ARG HB3 H 1.857 0.02 1 395 343 58 ARG C C 177.541 0.3 1 396 343 58 ARG CA C 57.458 0.3 1 397 343 58 ARG CB C 30.517 0.3 1 398 343 58 ARG N N 121.2 0.3 1 399 345 60 ASN H H 8.34 0.02 1 400 345 60 ASN HA H 4.599 0.02 1 401 345 60 ASN HB2 H 2.839 0.02 1 402 345 60 ASN HB3 H 2.839 0.02 1 403 345 60 ASN C C 176.18 0.3 1 404 345 60 ASN CA C 54.48 0.3 1 405 345 60 ASN CB C 38.52 0.3 1 406 345 60 ASN N N 119.24 0.3 1 407 346 61 GLU H H 8.3 0.02 1 408 346 61 GLU HA H 4.159 0.02 1 409 346 61 GLU HB2 H 2.07 0.02 1 410 346 61 GLU HB3 H 2.07 0.02 1 411 346 61 GLU HG2 H 2.317 0.02 1 412 346 61 GLU HG3 H 2.317 0.02 1 413 346 61 GLU C C 177.51 0.3 1 414 346 61 GLU CA C 57.92 0.3 1 415 346 61 GLU CB C 29.91 0.3 1 416 346 61 GLU CG C 36.279 0.3 1 417 346 61 GLU N N 120.96 0.3 1 418 347 62 LEU H H 8.04 0.02 1 419 347 62 LEU HA H 4.203 0.02 1 420 347 62 LEU HB2 H 1.735 0.02 2 421 347 62 LEU HB3 H 1.585 0.02 2 422 347 62 LEU HD1 H 0.914 0.02 2 423 347 62 LEU HD2 H 0.854 0.02 2 424 347 62 LEU C C 178.044 0.3 1 425 347 62 LEU CA C 56.347 0.3 1 426 347 62 LEU CB C 42.1 0.3 1 427 347 62 LEU CD1 C 25.104 0.3 2 428 347 62 LEU CD2 C 23.572 0.3 2 429 347 62 LEU N N 121.31 0.3 1 430 348 63 LYS H H 7.998 0.02 1 431 348 63 LYS HA H 4.185 0.02 1 432 348 63 LYS HB2 H 1.835 0.02 1 433 348 63 LYS HB3 H 1.835 0.02 1 434 348 63 LYS C C 177.112 0.3 1 435 348 63 LYS CA C 57.317 0.3 1 436 348 63 LYS CB C 32.718 0.3 1 437 348 63 LYS N N 120.427 0.3 1 438 349 64 LEU H H 7.94 0.02 1 439 349 64 LEU HA H 4.247 0.02 1 440 349 64 LEU HB2 H 1.697 0.02 1 441 349 64 LEU HB3 H 1.697 0.02 1 442 349 64 LEU HD1 H 0.928 0.02 1 443 349 64 LEU HD2 H 0.928 0.02 1 444 349 64 LEU C C 177.93 0.3 1 445 349 64 LEU CA C 55.96 0.3 1 446 349 64 LEU CB C 42.19 0.3 1 447 349 64 LEU CD1 C 25.071 0.3 1 448 349 64 LEU CD2 C 25.071 0.3 1 449 349 64 LEU N N 120.83 0.3 1 450 350 65 ARG H H 8.03 0.02 1 451 350 65 ARG HA H 4.176 0.02 1 452 350 65 ARG HB2 H 1.658 0.02 1 453 350 65 ARG HB3 H 1.658 0.02 1 454 350 65 ARG C C 176.29 0.3 1 455 350 65 ARG CA C 56.85 0.3 1 456 350 65 ARG CB C 30.67 0.3 1 457 350 65 ARG N N 120.24 0.3 1 458 351 66 PHE H H 8.03 0.02 1 459 351 66 PHE HA H 4.495 0.02 1 460 351 66 PHE HB2 H 3.04 0.02 2 461 351 66 PHE HB3 H 2.951 0.02 2 462 351 66 PHE C C 175.85 0.3 1 463 351 66 PHE CA C 58.39 0.3 1 464 351 66 PHE CB C 39.49 0.3 1 465 351 66 PHE N N 119.8 0.3 1 466 352 67 PHE H H 8.05 0.02 1 467 352 67 PHE HA H 4.484 0.02 1 468 352 67 PHE HB2 H 3.135 0.02 2 469 352 67 PHE HB3 H 2.999 0.02 2 470 352 67 PHE C C 175.52 0.3 1 471 352 67 PHE CA C 58.22 0.3 1 472 352 67 PHE CB C 39.57 0.3 1 473 352 67 PHE N N 120.8 0.3 1 474 353 68 ALA H H 8.07 0.02 1 475 353 68 ALA HA H 4.242 0.02 1 476 353 68 ALA HB H 1.376 0.02 1 477 353 68 ALA C C 177.73 0.3 1 478 353 68 ALA CA C 52.78 0.3 1 479 353 68 ALA CB C 19.26 0.3 1 480 353 68 ALA N N 124.29 0.3 1 481 354 69 LEU H H 7.99 0.02 1 482 354 69 LEU HA H 4.262 0.02 1 483 354 69 LEU HB2 H 1.596 0.02 1 484 354 69 LEU HB3 H 1.596 0.02 1 485 354 69 LEU HD1 H 0.917 0.02 2 486 354 69 LEU HD2 H 0.857 0.02 2 487 354 69 LEU C C 177.72 0.3 1 488 354 69 LEU CA C 55.55 0.3 1 489 354 69 LEU CB C 42.22 0.3 1 490 354 69 LEU CD1 C 25.073 0.3 2 491 354 69 LEU CD2 C 23.545 0.3 2 492 354 69 LEU N N 120.41 0.3 1 493 355 70 ARG H H 8.11 0.02 1 494 355 70 ARG HA H 4.232 0.02 1 495 355 70 ARG HB2 H 1.822 0.02 2 496 355 70 ARG HB3 H 1.736 0.02 2 497 355 70 ARG HG2 H 1.608 0.02 1 498 355 70 ARG HG3 H 1.608 0.02 1 499 355 70 ARG C C 176.15 0.3 1 500 355 70 ARG CA C 56.64 0.3 1 501 355 70 ARG CB C 30.7 0.3 1 502 355 70 ARG CG C 26.856 0.3 1 503 355 70 ARG N N 120.5 0.3 1 504 356 71 ASP H H 8.21 0.02 1 505 356 71 ASP HA H 4.561 0.02 1 506 356 71 ASP HB2 H 2.691 0.02 2 507 356 71 ASP HB3 H 2.595 0.02 2 508 356 71 ASP C C 175.93 0.3 1 509 356 71 ASP CA C 54.67 0.3 1 510 356 71 ASP CB C 41.08 0.3 1 511 356 71 ASP N N 119.86 0.3 1 512 357 72 GLN H H 8.09 0.02 1 513 357 72 GLN HA H 4.303 0.02 1 514 357 72 GLN HB2 H 2.078 0.02 2 515 357 72 GLN HB3 H 2.957 0.02 2 516 357 72 GLN HG2 H 2.314 0.02 1 517 357 72 GLN HG3 H 2.314 0.02 1 518 357 72 GLN C C 175.59 0.3 1 519 357 72 GLN CA C 55.64 0.3 1 520 357 72 GLN CB C 29.61 0.3 1 521 357 72 GLN CG C 33.886 0.3 1 522 357 72 GLN N N 119.43 0.3 1 523 358 73 ILE H H 8.17 0.02 1 524 358 73 ILE C C 174.59 0.3 1 525 358 73 ILE N N 123.63 0.3 1 526 359 74 PRO HA H 4.385 0.02 1 527 359 74 PRO HB2 H 2.269 0.02 2 528 359 74 PRO HB3 H 1.873 0.02 2 529 359 74 PRO HG2 H 1.985 0.02 1 530 359 74 PRO HG3 H 1.985 0.02 1 531 359 74 PRO C C 176.82 0.3 1 532 359 74 PRO CA C 63.37 0.3 1 533 359 74 PRO CB C 32.15 0.3 1 534 359 74 PRO CG C 27.448 0.3 1 535 359 74 PRO N N 111.66 0.3 1 536 360 75 GLU H H 8.48 0.02 1 537 360 75 GLU HA H 4.242 0.02 1 538 360 75 GLU HB2 H 2.003 0.02 2 539 360 75 GLU HB3 H 1.95 0.02 2 540 360 75 GLU HG2 H 2.259 0.02 1 541 360 75 GLU HG3 H 2.259 0.02 1 542 360 75 GLU C C 176.64 0.3 1 543 360 75 GLU CA C 56.82 0.3 1 544 360 75 GLU CB C 30.37 0.3 1 545 360 75 GLU CG C 36.431 0.3 1 546 360 75 GLU N N 121.32 0.3 1 547 361 76 VAL H H 8.12 0.02 1 548 361 76 VAL HA H 4.131 0.02 1 549 361 76 VAL HB H 2.059 0.02 1 550 361 76 VAL HG1 H 0.92 0.02 2 551 361 76 VAL HG2 H 0.919 0.02 2 552 361 76 VAL C C 175.83 0.3 1 553 361 76 VAL CA C 62.22 0.3 1 554 361 76 VAL CB C 32.87 0.3 1 555 361 76 VAL CG1 C 21.227 0.3 2 556 361 76 VAL CG2 C 20.584 0.3 2 557 361 76 VAL N N 121.18 0.3 1 558 362 77 ALA H H 8.38 0.02 1 559 362 77 ALA HA H 4.302 0.02 1 560 362 77 ALA HB H 1.371 0.02 1 561 362 77 ALA C C 177.44 0.3 1 562 362 77 ALA CA C 52.492 0.3 1 563 362 77 ALA CB C 19.475 0.3 1 564 362 77 ALA N N 127.56 0.3 1 565 363 78 ASN H H 8.4 0.02 1 566 363 78 ASN HA H 4.66 0.02 1 567 363 78 ASN HB2 H 2.802 0.02 1 568 363 78 ASN HB3 H 2.802 0.02 1 569 363 78 ASN C C 175.14 0.3 1 570 363 78 ASN CA C 53.38 0.3 1 571 363 78 ASN CB C 38.92 0.3 1 572 363 78 ASN N N 118.12 0.3 1 573 364 79 ASN H H 8.41 0.02 1 574 364 79 ASN HA H 4.685 0.02 1 575 364 79 ASN HB2 H 2.844 0.02 2 576 364 79 ASN HB3 H 2.761 0.02 2 577 364 79 ASN C C 175.39 0.3 1 578 364 79 ASN CA C 53.41 0.3 1 579 364 79 ASN CB C 38.84 0.3 1 580 364 79 ASN N N 119.29 0.3 1 581 365 80 GLU H H 8.37 0.02 1 582 365 80 GLU HA H 4.234 0.02 1 583 365 80 GLU HB2 H 2.057 0.02 2 584 365 80 GLU HB3 H 1.96 0.02 2 585 365 80 GLU HG2 H 2.252 0.02 1 586 365 80 GLU HG3 H 2.252 0.02 1 587 365 80 GLU C C 176.5 0.3 1 588 365 80 GLU CA C 57.03 0.3 1 589 365 80 GLU CB C 30.12 0.3 1 590 365 80 GLU CG C 36.305 0.3 1 591 365 80 GLU N N 121.08 0.3 1 592 366 81 LYS H H 8.21 0.02 1 593 366 81 LYS HA H 4.286 0.02 1 594 366 81 LYS HB2 H 1.841 0.02 2 595 366 81 LYS HB3 H 1.732 0.02 2 596 366 81 LYS HG2 H 1.413 0.02 1 597 366 81 LYS HG3 H 1.413 0.02 1 598 366 81 LYS HD2 H 1.656 0.02 1 599 366 81 LYS HD3 H 1.656 0.02 1 600 366 81 LYS C C 176.0 0.3 1 601 366 81 LYS CA C 56.0 0.3 1 602 366 81 LYS CB C 32.89 0.3 1 603 366 81 LYS CG C 24.901 0.3 1 604 366 81 LYS CD C 29.035 0.3 1 605 366 81 LYS N N 121.36 0.3 1 606 367 82 ALA H H 8.11 0.02 1 607 367 82 ALA C C 175.28 0.3 1 608 367 82 ALA N N 125.86 0.3 1 609 368 83 PRO HA H 4.409 0.02 1 610 368 83 PRO HB2 H 2.275 0.02 2 611 368 83 PRO HB3 H 2.186 0.02 2 612 368 83 PRO HG2 H 2.016 0.02 1 613 368 83 PRO HG3 H 2.016 0.02 1 614 368 83 PRO C C 176.8 0.3 1 615 368 83 PRO CA C 62.94 0.3 1 616 368 83 PRO CB C 32.14 0.3 1 617 368 83 PRO CG C 27.353 0.3 1 618 368 83 PRO N N 107.46 0.3 1 619 369 84 LYS H H 8.38 0.02 1 620 369 84 LYS HA H 4.279 0.02 1 621 369 84 LYS HB2 H 1.767 0.02 1 622 369 84 LYS HB3 H 1.767 0.02 1 623 369 84 LYS HG2 H 1.416 0.02 1 624 369 84 LYS HG3 H 1.416 0.02 1 625 369 84 LYS C C 176.54 0.3 1 626 369 84 LYS CA C 56.37 0.3 1 627 369 84 LYS CB C 33.05 0.3 1 628 369 84 LYS CG C 24.864 0.3 1 629 369 84 LYS N N 121.81 0.3 1 630 370 85 VAL H H 8.14 0.02 1 631 370 85 VAL HA H 4.096 0.02 1 632 370 85 VAL HB H 1.996 0.02 1 633 370 85 VAL HG1 H 0.901 0.02 1 634 370 85 VAL HG2 H 0.901 0.02 1 635 370 85 VAL C C 175.76 0.3 1 636 370 85 VAL CA C 62.32 0.3 1 637 370 85 VAL CB C 32.93 0.3 1 638 370 85 VAL CG1 C 20.942 0.3 2 639 370 85 VAL N N 122.21 0.3 1 640 371 86 VAL H H 8.29 0.02 1 641 371 86 VAL HA H 4.074 0.02 1 642 371 86 VAL HB H 1.958 0.02 1 643 371 86 VAL HG1 H 0.889 0.02 2 644 371 86 VAL C C 175.66 0.3 1 645 371 86 VAL CA C 62.35 0.3 1 646 371 86 VAL CB C 32.91 0.3 1 647 371 86 VAL CG1 C 20.95 0.3 2 648 371 86 VAL N N 125.76 0.3 1 649 372 87 ILE H H 8.3 0.02 1 650 372 87 ILE HA H 4.138 0.02 1 651 372 87 ILE HB H 1.81 0.02 1 652 372 87 ILE HG2 H 0.857 0.02 1 653 372 87 ILE C C 175.94 0.3 1 654 372 87 ILE CA C 60.7 0.3 1 655 372 87 ILE CB C 38.43 0.3 1 656 372 87 ILE CG2 C 17.502 0.3 1 657 372 87 ILE N N 126.39 0.3 1 658 373 88 LEU H H 8.37 0.02 1 659 373 88 LEU HA H 4.371 0.02 1 660 373 88 LEU HB2 H 1.573 0.02 2 661 373 88 LEU HB3 H 1.549 0.02 2 662 373 88 LEU C C 176.96 0.3 1 663 373 88 LEU CA C 54.95 0.3 1 664 373 88 LEU CB C 42.48 0.3 1 665 373 88 LEU N N 127.59 0.3 1 666 374 89 LYS H H 8.29 0.02 1 667 374 89 LYS HA H 4.28 0.02 1 668 374 89 LYS HB2 H 1.792 0.02 2 669 374 89 LYS HB3 H 1.715 0.02 2 670 374 89 LYS C C 176.37 0.3 1 671 374 89 LYS CA C 56.32 0.3 1 672 374 89 LYS CB C 33.19 0.3 1 673 374 89 LYS N N 123.06 0.3 1 674 375 90 LYS H H 8.35 0.02 1 675 375 90 LYS HA H 4.278 0.02 1 676 375 90 LYS HB2 H 1.819 0.02 2 677 375 90 LYS HB3 H 1.72 0.02 2 678 375 90 LYS C C 176.48 0.3 1 679 375 90 LYS CA C 56.32 0.3 1 680 375 90 LYS CB C 33.27 0.3 1 681 375 90 LYS N N 123.16 0.3 1 682 376 91 ALA H H 8.43 0.02 1 683 376 91 ALA HA H 4.317 0.02 1 684 376 91 ALA HB H 1.427 0.02 1 685 376 91 ALA C C 178.04 0.3 1 686 376 91 ALA CA C 52.98 0.3 1 687 376 91 ALA CB C 19.18 0.3 1 688 376 91 ALA N N 125.65 0.3 1 689 377 92 THR H H 8.03 0.02 1 690 377 92 THR HA H 4.229 0.02 1 691 377 92 THR HB H 4.182 0.02 1 692 377 92 THR HG2 H 1.161 0.02 1 693 377 92 THR C C 174.58 0.3 1 694 377 92 THR CA C 62.38 0.3 1 695 377 92 THR CB C 69.7 0.3 1 696 377 92 THR CG2 C 21.865 0.3 1 697 377 92 THR N N 112.96 0.3 1 698 378 93 GLU H H 8.33 0.02 1 699 378 93 GLU HA H 4.23 0.02 1 700 378 93 GLU HB2 H 1.972 0.02 2 701 378 93 GLU HB3 H 1.892 0.02 2 702 378 93 GLU HG2 H 2.175 0.02 1 703 378 93 GLU HG3 H 2.175 0.02 1 704 378 93 GLU C C 176.25 0.3 1 705 378 93 GLU CA C 56.9 0.3 1 706 378 93 GLU CB C 30.35 0.3 1 707 378 93 GLU CG C 36.35 0.3 1 708 378 93 GLU N N 122.63 0.3 1 709 379 94 TYR H H 8.16 0.02 1 710 379 94 TYR HA H 4.541 0.02 1 711 379 94 TYR HB2 H 2.982 0.02 1 712 379 94 TYR HB3 H 2.982 0.02 1 713 379 94 TYR C C 175.85 0.3 1 714 379 94 TYR CA C 58.35 0.3 1 715 379 94 TYR CB C 38.81 0.3 1 716 379 94 TYR N N 121.3 0.3 1 717 380 95 VAL H H 8.0 0.02 1 718 380 95 VAL HA H 3.968 0.02 1 719 380 95 VAL HB H 2.016 0.02 1 720 380 95 VAL HG1 H 0.903 0.02 2 721 380 95 VAL C C 176.14 0.3 1 722 380 95 VAL CA C 62.79 0.3 1 723 380 95 VAL CB C 32.83 0.3 1 724 380 95 VAL CG1 C 21.053 0.3 2 725 380 95 VAL N N 122.09 0.3 1 726 381 96 LEU H H 8.21 0.02 1 727 381 96 LEU HA H 4.281 0.02 1 728 381 96 LEU HB2 H 1.634 0.02 2 729 381 96 LEU HB3 H 1.561 0.02 2 730 381 96 LEU HD1 H 0.942 0.02 2 731 381 96 LEU HD2 H 0.874 0.02 2 732 381 96 LEU C C 177.57 0.3 1 733 381 96 LEU CA C 55.65 0.3 1 734 381 96 LEU CB C 42.31 0.3 1 735 381 96 LEU CD1 C 24.97 0.3 2 736 381 96 LEU CD2 C 23.721 0.3 2 737 381 96 LEU N N 125.21 0.3 1 738 382 97 SER H H 8.22 0.02 1 739 382 97 SER HA H 4.413 0.02 1 740 382 97 SER HB2 H 3.86 0.02 1 741 382 97 SER HB3 H 3.86 0.02 1 742 382 97 SER C C 174.64 0.3 1 743 382 97 SER CA C 58.51 0.3 1 744 382 97 SER CB C 63.69 0.3 1 745 382 97 SER N N 116.79 0.3 1 746 383 98 LEU H H 8.13 0.02 1 747 383 98 LEU HA H 4.317 0.02 1 748 383 98 LEU HB2 H 1.635 0.02 2 749 383 98 LEU HB3 H 1.575 0.02 2 750 383 98 LEU HD1 H 0.861 0.02 1 751 383 98 LEU HD2 H 0.861 0.02 1 752 383 98 LEU C C 177.57 0.3 1 753 383 98 LEU CA C 55.45 0.3 1 754 383 98 LEU CB C 42.26 0.3 1 755 383 98 LEU CD1 C 25.009 0.3 1 756 383 98 LEU CD2 C 25.009 0.3 1 757 383 98 LEU N N 123.92 0.3 1 758 384 99 GLN H H 8.27 0.02 1 759 384 99 GLN HA H 4.34 0.02 1 760 384 99 GLN HB2 H 2.131 0.02 2 761 384 99 GLN HB3 H 1.986 0.02 2 762 384 99 GLN HG2 H 2.362 0.02 2 763 384 99 GLN C C 176.18 0.3 1 764 384 99 GLN CA C 56.07 0.3 1 765 384 99 GLN CB C 29.41 0.3 1 766 384 99 GLN CG C 33.945 0.3 1 767 384 99 GLN N N 120.3 0.3 1 768 385 100 SER H H 8.29 0.02 1 769 385 100 SER HA H 4.427 0.02 1 770 385 100 SER HB2 H 3.982 0.02 2 771 385 100 SER HB3 H 3.873 0.02 2 772 385 100 SER C C 174.74 0.3 1 773 385 100 SER CA C 58.58 0.3 1 774 385 100 SER CB C 63.99 0.3 1 775 385 100 SER N N 116.86 0.3 1 776 386 101 ASP H H 8.48 0.02 1 777 386 101 ASP HA H 4.583 0.02 1 778 386 101 ASP HB2 H 2.697 0.02 1 779 386 101 ASP HB3 H 2.697 0.02 1 780 386 101 ASP C C 177.15 0.3 1 781 386 101 ASP CA C 55.25 0.3 1 782 386 101 ASP CB C 40.97 0.3 1 783 386 101 ASP N N 122.68 0.3 1 784 387 102 GLU H H 8.44 0.02 1 785 387 102 GLU HA H 4.102 0.02 1 786 387 102 GLU HB2 H 1.963 0.02 1 787 387 102 GLU HB3 H 1.963 0.02 1 788 387 102 GLU HG2 H 2.184 0.02 1 789 387 102 GLU HG3 H 2.184 0.02 1 790 387 102 GLU C C 177.5 0.3 1 791 387 102 GLU CA C 58.32 0.3 1 792 387 102 GLU CB C 29.78 0.3 1 793 387 102 GLU CG C 36.198 0.3 1 794 387 102 GLU N N 121.2 0.3 1 795 388 103 HIS H H 8.27 0.02 1 796 388 103 HIS HA H 4.457 0.02 1 797 388 103 HIS HB2 H 3.217 0.02 1 798 388 103 HIS HB3 H 3.217 0.02 1 799 388 103 HIS C C 176.51 0.3 1 800 388 103 HIS CA C 57.74 0.3 1 801 388 103 HIS CB C 29.68 0.3 1 802 388 103 HIS N N 118.6 0.3 1 803 389 104 LYS H H 8.05 0.02 1 804 389 104 LYS HA H 4.159 0.02 1 805 389 104 LYS HB2 H 1.846 0.02 1 806 389 104 LYS HB3 H 1.846 0.02 1 807 389 104 LYS C C 177.5 0.3 1 808 389 104 LYS CA C 58.07 0.3 1 809 389 104 LYS CB C 32.8 0.3 1 810 389 104 LYS N N 121.1 0.3 1 811 390 105 LEU H H 8.01 0.02 1 812 390 105 LEU HA H 4.253 0.02 1 813 390 105 LEU HB2 H 1.752 0.02 2 814 390 105 LEU HB3 H 1.623 0.02 2 815 390 105 LEU HD1 H 0.916 0.02 2 816 390 105 LEU HD2 H 0.881 0.02 2 817 390 105 LEU C C 178.565 0.3 1 818 390 105 LEU CA C 56.617 0.3 1 819 390 105 LEU CB C 41.986 0.3 1 820 390 105 LEU CD1 C 24.918 0.3 2 821 390 105 LEU CD2 C 23.623 0.3 2 822 390 105 LEU N N 121.23 0.3 1 823 391 106 ILE H H 7.95 0.02 1 824 391 106 ILE HA H 3.899 0.02 1 825 391 106 ILE HB H 1.877 0.02 1 826 391 106 ILE C C 177.38 0.3 1 827 391 106 ILE CA C 63.08 0.3 1 828 391 106 ILE CB C 38.29 0.3 1 829 391 106 ILE N N 120.88 0.3 1 830 392 107 ALA H H 8.16 0.02 1 831 392 107 ALA HA H 4.233 0.02 1 832 392 107 ALA HB H 1.453 0.02 1 833 392 107 ALA C C 179.62 0.3 1 834 392 107 ALA CA C 54.08 0.3 1 835 392 107 ALA CB C 18.56 0.3 1 836 392 107 ALA N N 125.12 0.3 1 837 393 108 GLU H H 8.33 0.02 1 838 393 108 GLU HA H 4.117 0.02 1 839 393 108 GLU HB2 H 2.102 0.02 1 840 393 108 GLU HB3 H 2.102 0.02 1 841 393 108 GLU HG2 H 2.373 0.02 2 842 393 108 GLU HG3 H 2.277 0.02 2 843 393 108 GLU C C 178.492 0.3 1 844 393 108 GLU CA C 58.751 0.3 1 845 393 108 GLU CB C 29.797 0.3 1 846 393 108 GLU CG C 36.385 0.3 1 847 393 108 GLU N N 120.01 0.3 1 848 394 109 LYS H H 8.216 0.02 1 849 394 109 LYS HA H 4.09 0.02 1 850 394 109 LYS HB2 H 1.925 0.02 1 851 394 109 LYS HB3 H 1.925 0.02 1 852 394 109 LYS C C 178.965 0.3 1 853 394 109 LYS CA C 59.122 0.3 1 854 394 109 LYS CB C 32.464 0.3 1 855 394 109 LYS N N 120.219 0.3 1 856 395 110 GLU H H 8.18 0.02 1 857 395 110 GLU HA H 4.252 0.02 1 858 395 110 GLU HB2 H 2.121 0.02 2 859 395 110 GLU HB3 H 2.058 0.02 2 860 395 110 GLU HG2 H 2.323 0.02 1 861 395 110 GLU HG3 H 2.323 0.02 1 862 395 110 GLU C C 178.242 0.3 1 863 395 110 GLU CA C 58.386 0.3 1 864 395 110 GLU CB C 29.283 0.3 1 865 395 110 GLU CG C 35.877 0.3 1 866 395 110 GLU N N 120.775 0.3 1 867 396 111 GLN H H 8.173 0.02 1 868 396 111 GLN HA H 4.087 0.02 1 869 396 111 GLN HB2 H 2.567 0.02 1 870 396 111 GLN HB3 H 2.567 0.02 1 871 396 111 GLN HG2 H 2.43 0.02 1 872 396 111 GLN HG3 H 2.43 0.02 1 873 396 111 GLN C C 178.381 0.3 1 874 396 111 GLN CA C 58.45 0.3 1 875 396 111 GLN CB C 28.453 0.3 1 876 396 111 GLN CG C 33.86 0.3 1 877 396 111 GLN N N 119.749 0.3 1 878 397 112 LEU H H 8.017 0.02 1 879 397 112 LEU HA H 4.125 0.02 1 880 397 112 LEU HB2 H 1.789 0.02 2 881 397 112 LEU HB3 H 1.649 0.02 2 882 397 112 LEU HG H 1.713 0.02 1 883 397 112 LEU HD1 H 0.953 0.02 2 884 397 112 LEU HD2 H 0.886 0.02 2 885 397 112 LEU C C 178.812 0.3 1 886 397 112 LEU CA C 57.476 0.3 1 887 397 112 LEU CB C 41.778 0.3 1 888 397 112 LEU CG C 27.008 0.3 1 889 397 112 LEU CD1 C 24.79 0.3 2 890 397 112 LEU CD2 C 23.749 0.3 2 891 397 112 LEU N N 120.626 0.3 1 892 398 113 ARG H H 7.97 0.02 1 893 398 113 ARG HA H 4.039 0.02 1 894 398 113 ARG HB2 H 1.935 0.02 1 895 398 113 ARG HB3 H 1.935 0.02 1 896 398 113 ARG HD2 H 3.209 0.02 1 897 398 113 ARG HD3 H 3.209 0.02 1 898 398 113 ARG C C 178.369 0.3 1 899 398 113 ARG CA C 58.991 0.3 1 900 398 113 ARG CB C 30.08 0.3 1 901 398 113 ARG CD C 43.223 0.3 1 902 398 113 ARG N N 120.549 0.3 1 903 399 114 ARG H H 8.179 0.02 1 904 399 114 ARG HA H 4.095 0.02 1 905 399 114 ARG HB2 H 1.889 0.02 1 906 399 114 ARG HB3 H 1.889 0.02 1 907 399 114 ARG HD2 H 3.214 0.02 1 908 399 114 ARG HD3 H 3.214 0.02 1 909 399 114 ARG C C 178.451 0.3 1 910 399 114 ARG CA C 58.567 0.3 1 911 399 114 ARG CB C 30.247 0.3 1 912 399 114 ARG CD C 43.526 0.3 1 913 399 114 ARG N N 119.136 0.3 1 914 400 115 ARG H H 8.096 0.02 1 915 400 115 ARG HA H 4.17 0.02 1 916 400 115 ARG HB2 H 1.945 0.02 1 917 400 115 ARG HB3 H 1.945 0.02 1 918 400 115 ARG HD2 H 3.204 0.02 1 919 400 115 ARG HD3 H 3.204 0.02 1 920 400 115 ARG C C 178.174 0.3 1 921 400 115 ARG CA C 58.415 0.3 1 922 400 115 ARG CB C 30.28 0.3 1 923 400 115 ARG CD C 43.564 0.3 1 924 400 115 ARG N N 120.279 0.3 1 925 401 116 ARG H H 8.191 0.02 1 926 401 116 ARG HA H 4.116 0.02 1 927 401 116 ARG HB2 H 1.931 0.02 1 928 401 116 ARG HB3 H 1.931 0.02 1 929 401 116 ARG HD2 H 3.213 0.02 1 930 401 116 ARG HD3 H 3.213 0.02 1 931 401 116 ARG C C 178.435 0.3 1 932 401 116 ARG CA C 58.667 0.3 1 933 401 116 ARG CB C 30.241 0.3 1 934 401 116 ARG CD C 43.503 0.3 1 935 401 116 ARG N N 120.053 0.3 1 936 402 117 GLU H H 8.225 0.02 1 937 402 117 GLU HA H 4.119 0.02 1 938 402 117 GLU HB2 H 2.086 0.02 1 939 402 117 GLU HB3 H 2.086 0.02 1 940 402 117 GLU HG2 H 2.335 0.02 1 941 402 117 GLU HG3 H 2.335 0.02 1 942 402 117 GLU C C 177.988 0.3 1 943 402 117 GLU CA C 58.281 0.3 1 944 402 117 GLU CB C 29.8 0.3 1 945 402 117 GLU CG C 36.404 0.3 1 946 402 117 GLU N N 120.012 0.3 1 947 403 118 GLN H H 8.118 0.02 1 948 403 118 GLN HA H 4.183 0.02 1 949 403 118 GLN HB2 H 2.157 0.02 1 950 403 118 GLN HB3 H 2.157 0.02 1 951 403 118 GLN HG2 H 2.451 0.02 1 952 403 118 GLN HG3 H 2.451 0.02 1 953 403 118 GLN C C 177.374 0.3 1 954 403 118 GLN CA C 57.545 0.3 1 955 403 118 GLN CB C 28.901 0.3 1 956 403 118 GLN CG C 33.962 0.3 1 957 403 118 GLN N N 119.827 0.3 1 958 404 119 LEU H H 7.997 0.02 1 959 404 119 LEU HA H 4.222 0.02 1 960 404 119 LEU HB2 H 1.736 0.02 2 961 404 119 LEU HB3 H 1.603 0.02 2 962 404 119 LEU HD1 H 0.943 0.02 2 963 404 119 LEU HD2 H 0.862 0.02 2 964 404 119 LEU C C 178.254 0.3 1 965 404 119 LEU CA C 56.702 0.3 1 966 404 119 LEU CB C 42.038 0.3 1 967 404 119 LEU CD1 C 25.008 0.3 2 968 404 119 LEU CD2 C 23.539 0.3 2 969 404 119 LEU N N 121.012 0.3 1 970 405 120 LYS H H 7.928 0.02 1 971 405 120 LYS HA H 4.126 0.02 1 972 405 120 LYS HB2 H 1.817 0.02 1 973 405 120 LYS HB3 H 1.817 0.02 1 974 405 120 LYS C C 177.474 0.3 1 975 405 120 LYS CA C 57.952 0.3 1 976 405 120 LYS CB C 32.615 0.3 1 977 405 120 LYS N N 119.894 0.3 1 978 406 121 HIS H H 8.134 0.02 1 979 406 121 HIS HA H 4.57 0.02 1 980 406 121 HIS HB2 H 3.192 0.02 1 981 406 121 HIS HB3 H 3.192 0.02 1 982 406 121 HIS C C 175.914 0.3 1 983 406 121 HIS CA C 57.139 0.3 1 984 406 121 HIS CB C 29.952 0.3 1 985 406 121 HIS N N 118.585 0.3 1 986 407 122 ASN H H 8.377 0.02 1 987 407 122 ASN HA H 4.598 0.02 1 988 407 122 ASN HB2 H 2.861 0.02 1 989 407 122 ASN HB3 H 2.861 0.02 1 990 407 122 ASN C C 176.306 0.3 1 991 407 122 ASN CA C 54.399 0.3 1 992 407 122 ASN CB C 38.546 0.3 1 993 407 122 ASN N N 119.324 0.3 1 994 408 123 LEU H H 8.241 0.02 1 995 408 123 LEU HA H 4.213 0.02 1 996 408 123 LEU HB2 H 1.762 0.02 2 997 408 123 LEU HB3 H 1.606 0.02 2 998 408 123 LEU HG H 1.689 0.02 1 999 408 123 LEU HD1 H 0.921 0.02 2 1000 408 123 LEU HD2 H 0.866 0.02 2 1001 408 123 LEU C C 178.558 0.3 1 1002 408 123 LEU CA C 56.6 0.3 1 1003 408 123 LEU CB C 42.003 0.3 1 1004 408 123 LEU CG C 27.052 0.3 1 1005 408 123 LEU CD1 C 24.997 0.3 2 1006 408 123 LEU CD2 C 23.429 0.3 2 1007 408 123 LEU N N 121.622 0.3 1 1008 409 124 GLU H H 8.22 0.02 1 1009 409 124 GLU HA H 4.127 0.02 1 1010 409 124 GLU HB2 H 2.049 0.02 1 1011 409 124 GLU HB3 H 2.049 0.02 1 1012 409 124 GLU HG2 H 2.304 0.02 1 1013 409 124 GLU HG3 H 2.304 0.02 1 1014 409 124 GLU C C 177.57 0.3 1 1015 409 124 GLU CA C 57.97 0.3 1 1016 409 124 GLU CB C 29.73 0.3 1 1017 409 124 GLU CG C 36.349 0.3 1 1018 409 124 GLU N N 120.3 0.3 1 1019 410 125 GLN H H 8.09 0.02 1 1020 410 125 GLN HA H 4.208 0.02 1 1021 410 125 GLN HB2 H 2.024 0.02 2 1022 410 125 GLN HB3 H 2.105 0.02 2 1023 410 125 GLN HG2 H 2.345 0.02 1 1024 410 125 GLN HG3 H 2.345 0.02 1 1025 410 125 GLN C C 177.01 0.3 1 1026 410 125 GLN CA C 56.82 0.3 1 1027 410 125 GLN CB C 28.96 0.3 1 1028 410 125 GLN CG C 33.846 0.3 1 1029 410 125 GLN N N 119.21 0.3 1 1030 411 126 LEU H H 7.98 0.02 1 1031 411 126 LEU HA H 4.26 0.02 1 1032 411 126 LEU HB2 H 1.721 0.02 2 1033 411 126 LEU HB3 H 1.609 0.02 2 1034 411 126 LEU HG H 1.663 0.02 1 1035 411 126 LEU HD1 H 0.908 0.02 2 1036 411 126 LEU HD2 H 0.863 0.02 2 1037 411 126 LEU C C 178.11 0.3 1 1038 411 126 LEU CA C 56.02 0.3 1 1039 411 126 LEU CB C 42.13 0.3 1 1040 411 126 LEU CG C 27.018 0.3 1 1041 411 126 LEU CD1 C 25.011 0.3 2 1042 411 126 LEU CD2 C 23.453 0.3 2 1043 411 126 LEU N N 121.56 0.3 1 1044 412 127 ARG H H 8.11 0.02 1 1045 412 127 ARG HA H 4.249 0.02 1 1046 412 127 ARG HB2 H 1.837 0.02 1 1047 412 127 ARG HB3 H 1.837 0.02 1 1048 412 127 ARG HG2 H 1.636 0.02 1 1049 412 127 ARG HG3 H 1.636 0.02 1 1050 412 127 ARG C C 176.59 0.3 1 1051 412 127 ARG CA C 56.96 0.3 1 1052 412 127 ARG CB C 30.61 0.3 1 1053 412 127 ARG CG C 27.192 0.3 1 1054 412 127 ARG N N 120.45 0.3 1 1055 413 128 ASN H H 8.26 0.02 1 1056 413 128 ASN HA H 4.718 0.02 1 1057 413 128 ASN HB2 H 2.877 0.02 2 1058 413 128 ASN HB3 H 2.781 0.02 2 1059 413 128 ASN C C 175.36 0.3 1 1060 413 128 ASN CA C 53.46 0.3 1 1061 413 128 ASN CB C 38.92 0.3 1 1062 413 128 ASN N N 118.72 0.3 1 1063 414 129 SER H H 8.14 0.02 1 1064 414 129 SER HA H 4.431 0.02 1 1065 414 129 SER HB2 H 3.908 0.02 1 1066 414 129 SER HB3 H 3.908 0.02 1 1067 414 129 SER C C 174.33 0.3 1 1068 414 129 SER CA C 58.74 0.3 1 1069 414 129 SER CB C 63.86 0.3 1 1070 414 129 SER N N 116.02 0.3 1 1071 415 130 ARG H H 8.23 0.02 1 1072 415 130 ARG HA H 4.38 0.02 1 1073 415 130 ARG HB2 H 1.923 0.02 2 1074 415 130 ARG HB3 H 1.758 0.02 2 1075 415 130 ARG HG2 H 1.651 0.02 1 1076 415 130 ARG HG3 H 1.651 0.02 1 1077 415 130 ARG C C 175.01 0.3 1 1078 415 130 ARG CA C 56.01 0.3 1 1079 415 130 ARG CB C 30.81 0.3 1 1080 415 130 ARG CG C 26.993 0.3 1 1081 415 130 ARG N N 122.94 0.3 1 1082 416 131 ALA H H 7.92 0.02 1 1083 416 131 ALA N N 130.76 0.3 1 stop_ save_