data_27034 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignments of A. thaliana RCD1(468-569) ; _BMRB_accession_number 27034 _BMRB_flat_file_name bmr27034.str _Entry_type original _Submission_date 2017-02-13 _Accession_date 2017-02-13 _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 Tossavainen Helena . . 2 Hellman Maarit . . 3 Vainonen Julia P. . 4 Kangasjarvi Jaakko . . 5 Permi Perttu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 675 "13C chemical shifts" 500 "15N chemical shifts" 123 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-06 update BMRB 'update entry citation' 2017-06-13 original author 'original release' stop_ _Original_release_date 2017-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N NMR chemical shift assignments of A. thaliana RCD1 RST ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28593560 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tossavainen Helena . . 2 Hellman Maarit . . 3 Vainonen Julia P. . 4 Kangasjarvi Jaakko . . 5 Permi Perttu . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 11 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 207 _Page_last 210 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RCD1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RCD1 $RCD1 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_RCD1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RCD1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSPEFMGVTLEGPKDLPPQL ESNQGARGSGSANSVGSSTT RPKSPWMPFPTLFAAISHKV AENDMLLINADYQQLRDKKM TRAEFVRKLRVIVGDDLLRS TITTLQNQPKSKEIPGSIRD HEEGAGGL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 462 GLY 2 463 SER 3 464 PRO 4 465 GLU 5 466 PHE 6 467 MET 7 468 GLY 8 469 VAL 9 470 THR 10 471 LEU 11 472 GLU 12 473 GLY 13 474 PRO 14 475 LYS 15 476 ASP 16 477 LEU 17 478 PRO 18 479 PRO 19 480 GLN 20 481 LEU 21 482 GLU 22 483 SER 23 484 ASN 24 485 GLN 25 486 GLY 26 487 ALA 27 488 ARG 28 489 GLY 29 490 SER 30 491 GLY 31 492 SER 32 493 ALA 33 494 ASN 34 495 SER 35 496 VAL 36 497 GLY 37 498 SER 38 499 SER 39 500 THR 40 501 THR 41 502 ARG 42 503 PRO 43 504 LYS 44 505 SER 45 506 PRO 46 507 TRP 47 508 MET 48 509 PRO 49 510 PHE 50 511 PRO 51 512 THR 52 513 LEU 53 514 PHE 54 515 ALA 55 516 ALA 56 517 ILE 57 518 SER 58 519 HIS 59 520 LYS 60 521 VAL 61 522 ALA 62 523 GLU 63 524 ASN 64 525 ASP 65 526 MET 66 527 LEU 67 528 LEU 68 529 ILE 69 530 ASN 70 531 ALA 71 532 ASP 72 533 TYR 73 534 GLN 74 535 GLN 75 536 LEU 76 537 ARG 77 538 ASP 78 539 LYS 79 540 LYS 80 541 MET 81 542 THR 82 543 ARG 83 544 ALA 84 545 GLU 85 546 PHE 86 547 VAL 87 548 ARG 88 549 LYS 89 550 LEU 90 551 ARG 91 552 VAL 92 553 ILE 93 554 VAL 94 555 GLY 95 556 ASP 96 557 ASP 97 558 LEU 98 559 LEU 99 560 ARG 100 561 SER 101 562 THR 102 563 ILE 103 564 THR 104 565 THR 105 566 LEU 106 567 GLN 107 568 ASN 108 569 GLN 109 570 PRO 110 571 LYS 111 572 SER 112 573 LYS 113 574 GLU 114 575 ILE 115 576 PRO 116 577 GLY 117 578 SER 118 579 ILE 119 580 ARG 120 581 ASP 121 582 HIS 122 583 GLU 123 584 GLU 124 585 GLY 125 586 ALA 126 587 GLY 127 588 GLY 128 589 LEU 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 $RCD1 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $RCD1 'recombinant technology' . Escherichia coli BL21 pGEX4T-1 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 $RCD1 0.9 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_iHNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D iHNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_hCCmHm_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D hCCmHm' _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 pH 6 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TMS C 13 'methyl carbons' ppm 0 internal indirect . . . 0.25145020 water H 1 protons ppm 4.7 internal direct . . . 1 'liquid anhydrous ammonia' N 15 nitrogen ppm 0 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCACB' '3D H(CCO)NH' '3D C(CO)NH' '3D HNCO' '3D iHNCO' '3D HBHA(CO)NH' '3D hCCmHm' 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 RCD1 _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 1 463 2 SER C C 173.947 0.000 1 2 464 3 PRO HA H 4.333 0.001 1 3 464 3 PRO HB2 H 2.192 0.006 2 4 464 3 PRO HB3 H 1.765 0.003 2 5 464 3 PRO HG2 H 1.927 0.002 2 6 464 3 PRO HG3 H 1.927 0.002 2 7 464 3 PRO HD2 H 3.772 0.000 2 8 464 3 PRO HD3 H 3.772 0.000 2 9 464 3 PRO C C 176.738 0.092 1 10 464 3 PRO CA C 63.630 0.021 1 11 464 3 PRO CB C 32.012 0.079 1 12 464 3 PRO CG C 27.436 0.025 1 13 464 3 PRO CD C 50.901 0.000 1 14 464 3 PRO N N 137.128 0.000 1 15 465 4 GLU H H 8.408 0.000 1 16 465 4 GLU HA H 4.091 0.012 1 17 465 4 GLU HB2 H 1.779 0.003 2 18 465 4 GLU HB3 H 1.779 0.003 2 19 465 4 GLU HG2 H 2.091 0.000 2 20 465 4 GLU HG3 H 1.989 0.000 2 21 465 4 GLU C C 176.177 0.012 1 22 465 4 GLU CA C 56.909 0.005 1 23 465 4 GLU CB C 30.155 0.033 1 24 465 4 GLU CG C 36.169 0.073 1 25 465 4 GLU N N 120.623 0.045 1 26 466 5 PHE H H 8.107 0.000 1 27 466 5 PHE HA H 4.551 0.002 1 28 466 5 PHE HB2 H 2.967 0.009 2 29 466 5 PHE HB3 H 2.967 0.009 2 30 466 5 PHE HD1 H 7.158 0.010 1 31 466 5 PHE HD2 H 7.158 0.010 1 32 466 5 PHE C C 175.570 0.000 1 33 466 5 PHE CA C 57.445 0.123 1 34 466 5 PHE CB C 39.445 0.093 1 35 466 5 PHE CD1 C 131.876 0.000 1 36 466 5 PHE N N 120.421 0.000 1 37 467 6 MET HE H 1.931 0.000 1 38 467 6 MET CE C 16.862 0.000 1 39 468 7 GLY HA2 H 3.796 0.004 2 40 468 7 GLY HA3 H 3.796 0.004 2 41 468 7 GLY C C 173.690 0.012 1 42 468 7 GLY CA C 45.264 0.024 1 43 469 8 VAL H H 7.873 0.001 1 44 469 8 VAL HA H 4.126 0.005 1 45 469 8 VAL HB H 2.003 0.007 1 46 469 8 VAL HG1 H 0.848 0.001 2 47 469 8 VAL HG2 H 0.837 0.006 2 48 469 8 VAL C C 176.163 0.014 1 49 469 8 VAL CA C 62.123 0.065 1 50 469 8 VAL CB C 32.950 0.058 1 51 469 8 VAL CG1 C 21.134 0.016 1 52 469 8 VAL CG2 C 20.407 0.007 1 53 469 8 VAL N N 119.043 0.023 1 54 470 9 THR H H 8.240 0.012 1 55 470 9 THR HA H 4.280 0.010 1 56 470 9 THR HB H 4.072 0.004 1 57 470 9 THR HG2 H 1.102 0.004 1 58 470 9 THR C C 174.162 0.007 1 59 470 9 THR CA C 61.721 0.061 1 60 470 9 THR CB C 69.682 0.081 1 61 470 9 THR CG2 C 21.672 0.018 1 62 470 9 THR N N 118.952 0.065 1 63 471 10 LEU H H 8.289 0.000 1 64 471 10 LEU HA H 4.319 0.005 1 65 471 10 LEU HG H 1.540 0.003 1 66 471 10 LEU HD1 H 0.822 0.000 2 67 471 10 LEU HD2 H 0.785 0.003 2 68 471 10 LEU C C 176.906 0.054 1 69 471 10 LEU CA C 55.191 0.081 1 70 471 10 LEU CB C 42.187 0.079 1 71 471 10 LEU CG C 26.929 0.009 1 72 471 10 LEU CD1 C 24.819 0.029 1 73 471 10 LEU CD2 C 23.409 0.010 1 74 471 10 LEU N N 125.550 0.019 1 75 472 11 GLU HA H 4.237 0.007 1 76 472 11 GLU HB2 H 1.968 0.000 2 77 472 11 GLU HB3 H 1.835 0.000 2 78 472 11 GLU HG2 H 2.172 0.002 2 79 472 11 GLU HG3 H 2.172 0.002 2 80 472 11 GLU C C 176.373 0.018 1 81 472 11 GLU CA C 56.297 0.037 1 82 472 11 GLU CB C 30.755 0.048 1 83 472 11 GLU CG C 36.415 0.028 1 84 472 11 GLU N N 122.622 0.007 1 85 473 12 GLY H H 8.206 0.005 1 86 473 12 GLY HA2 H 4.096 0.008 2 87 473 12 GLY HA3 H 3.894 0.010 2 88 473 12 GLY C C 171.587 0.017 1 89 473 12 GLY CA C 44.450 0.010 1 90 473 12 GLY N N 110.309 0.076 1 91 474 13 PRO HA H 4.324 0.006 1 92 474 13 PRO HB2 H 2.203 0.001 2 93 474 13 PRO HB3 H 1.841 0.003 2 94 474 13 PRO HD2 H 3.512 0.009 2 95 474 13 PRO HD3 H 3.512 0.009 2 96 474 13 PRO C C 177.201 0.014 1 97 474 13 PRO CA C 63.054 0.018 1 98 474 13 PRO CB C 32.154 0.028 1 99 474 13 PRO CG C 27.363 0.000 1 100 474 13 PRO CD C 49.796 0.105 1 101 474 13 PRO N N 134.466 0.002 1 102 475 14 LYS H H 8.382 0.007 1 103 475 14 LYS HA H 4.241 0.007 1 104 475 14 LYS HB2 H 1.741 0.000 2 105 475 14 LYS HB3 H 1.647 0.000 2 106 475 14 LYS HG2 H 1.382 0.000 2 107 475 14 LYS HG3 H 1.382 0.000 2 108 475 14 LYS HD2 H 1.353 0.000 2 109 475 14 LYS HD3 H 1.353 0.000 2 110 475 14 LYS HE2 H 2.949 0.000 2 111 475 14 LYS HE3 H 2.949 0.000 2 112 475 14 LYS C C 176.160 0.007 1 113 475 14 LYS CA C 55.972 0.043 1 114 475 14 LYS CB C 33.020 0.080 1 115 475 14 LYS CG C 24.727 0.048 1 116 475 14 LYS CD C 29.067 0.000 1 117 475 14 LYS N N 121.162 0.074 1 118 476 15 ASP H H 8.160 0.006 1 119 476 15 ASP HA H 4.493 0.003 1 120 476 15 ASP HB2 H 2.564 0.000 2 121 476 15 ASP HB3 H 2.476 0.000 2 122 476 15 ASP C C 175.485 0.009 1 123 476 15 ASP CA C 54.182 0.020 1 124 476 15 ASP CB C 41.067 0.032 1 125 476 15 ASP N N 120.434 0.095 1 126 477 16 LEU H H 8.014 0.006 1 127 477 16 LEU HA H 4.522 0.007 1 128 477 16 LEU HB2 H 1.462 0.007 2 129 477 16 LEU HB3 H 1.462 0.007 2 130 477 16 LEU HG H 1.567 0.002 1 131 477 16 LEU HD1 H 0.840 0.001 2 132 477 16 LEU HD2 H 0.818 0.002 2 133 477 16 LEU C C 174.670 0.023 1 134 477 16 LEU CA C 52.846 0.046 1 135 477 16 LEU CB C 41.923 0.018 1 136 477 16 LEU CG C 26.905 0.026 1 137 477 16 LEU CD1 C 25.174 0.029 1 138 477 16 LEU CD2 C 23.410 0.019 1 139 477 16 LEU N N 123.102 0.001 1 140 478 17 PRO HA H 4.594 0.015 1 141 478 17 PRO HB2 H 2.269 0.001 2 142 478 17 PRO HB3 H 1.808 0.006 2 143 478 17 PRO HG2 H 1.940 0.008 2 144 478 17 PRO HG3 H 1.940 0.008 2 145 478 17 PRO HD2 H 3.765 0.004 2 146 478 17 PRO HD3 H 3.507 0.003 2 147 478 17 PRO C C 174.708 0.005 1 148 478 17 PRO CA C 61.439 0.037 1 149 478 17 PRO CB C 30.729 0.007 1 150 478 17 PRO CG C 27.351 0.000 1 151 478 17 PRO CD C 50.427 0.019 1 152 478 17 PRO N N 137.542 0.011 1 153 479 18 PRO HA H 4.307 0.001 1 154 479 18 PRO HB2 H 2.208 0.007 2 155 479 18 PRO HB3 H 1.777 0.001 2 156 479 18 PRO HG2 H 1.912 0.001 2 157 479 18 PRO HG3 H 1.912 0.001 2 158 479 18 PRO HD2 H 3.718 0.000 2 159 479 18 PRO HD3 H 3.559 0.003 2 160 479 18 PRO C C 176.888 0.004 1 161 479 18 PRO CA C 63.056 0.021 1 162 479 18 PRO CB C 31.954 0.025 1 163 479 18 PRO CG C 27.504 0.009 1 164 479 18 PRO CD C 50.443 0.074 1 165 479 18 PRO N N 135.116 0.007 1 166 480 19 GLN H H 8.388 0.001 1 167 480 19 GLN HA H 4.227 0.004 1 168 480 19 GLN HB2 H 1.998 0.003 2 169 480 19 GLN HB3 H 1.886 0.004 2 170 480 19 GLN HG2 H 2.282 0.002 2 171 480 19 GLN HG3 H 2.282 0.002 2 172 480 19 GLN HE21 H 7.494 0.000 2 173 480 19 GLN HE22 H 6.804 0.000 2 174 480 19 GLN C C 175.876 0.003 1 175 480 19 GLN CA C 55.665 0.048 1 176 480 19 GLN CB C 29.292 0.056 1 177 480 19 GLN CG C 33.796 0.063 1 178 480 19 GLN N N 120.296 0.089 1 179 480 19 GLN NE2 N 112.752 0.000 1 180 481 20 LEU H H 8.185 0.001 1 181 481 20 LEU HA H 4.270 0.002 1 182 481 20 LEU HB2 H 1.541 0.000 2 183 481 20 LEU HB3 H 1.505 0.000 2 184 481 20 LEU HG H 1.420 0.005 1 185 481 20 LEU HD1 H 0.837 0.001 2 186 481 20 LEU HD2 H 0.809 0.001 2 187 481 20 LEU C C 177.336 0.011 1 188 481 20 LEU CA C 55.286 0.102 1 189 481 20 LEU CB C 42.365 0.085 1 190 481 20 LEU CG C 27.044 0.071 1 191 481 20 LEU CD1 C 24.899 0.075 1 192 481 20 LEU CD2 C 23.599 0.098 1 193 481 20 LEU N N 123.396 0.064 1 194 482 21 GLU H H 8.346 0.000 1 195 482 21 GLU HA H 4.202 0.004 1 196 482 21 GLU HB2 H 1.974 0.001 2 197 482 21 GLU HB3 H 1.851 0.000 2 198 482 21 GLU HG2 H 2.175 0.000 2 199 482 21 GLU HG3 H 2.175 0.000 2 200 482 21 GLU C C 176.563 0.005 1 201 482 21 GLU CA C 56.761 0.070 1 202 482 21 GLU CB C 30.231 0.027 1 203 482 21 GLU CG C 36.395 0.014 1 204 482 21 GLU N N 121.581 0.026 1 205 483 22 SER H H 8.255 0.002 1 206 483 22 SER HA H 4.327 0.008 1 207 483 22 SER HB2 H 3.806 0.000 2 208 483 22 SER HB3 H 3.806 0.000 2 209 483 22 SER C C 174.492 0.004 1 210 483 22 SER CA C 58.416 0.037 1 211 483 22 SER CB C 63.689 0.004 1 212 483 22 SER N N 116.368 0.034 1 213 484 23 ASN H H 8.412 0.003 1 214 484 23 ASN HA H 4.635 0.010 1 215 484 23 ASN HB2 H 2.776 0.000 2 216 484 23 ASN HB3 H 2.723 0.000 2 217 484 23 ASN C C 175.368 0.007 1 218 484 23 ASN CA C 53.185 0.059 1 219 484 23 ASN CB C 38.598 0.056 1 220 484 23 ASN N N 120.638 0.024 1 221 485 24 GLN H H 8.286 0.000 1 222 485 24 GLN HA H 4.195 0.008 1 223 485 24 GLN HB2 H 2.078 0.007 2 224 485 24 GLN HB3 H 1.897 0.002 2 225 485 24 GLN HG2 H 2.284 0.001 2 226 485 24 GLN HG3 H 2.284 0.001 2 227 485 24 GLN C C 176.556 0.004 1 228 485 24 GLN CA C 56.358 0.041 1 229 485 24 GLN CB C 29.153 0.025 1 230 485 24 GLN CG C 33.809 0.092 1 231 485 24 GLN N N 120.218 0.013 1 232 486 25 GLY H H 8.318 0.001 1 233 486 25 GLY HA2 H 3.833 0.000 2 234 486 25 GLY HA3 H 3.833 0.000 2 235 486 25 GLY C C 173.959 0.005 1 236 486 25 GLY CA C 45.234 0.008 1 237 486 25 GLY N N 109.407 0.007 1 238 487 26 ALA H H 8.066 0.000 1 239 487 26 ALA HA H 4.227 0.009 1 240 487 26 ALA HB H 1.299 0.001 1 241 487 26 ALA C C 177.956 0.005 1 242 487 26 ALA CA C 52.573 0.053 1 243 487 26 ALA CB C 19.057 0.040 1 244 487 26 ALA N N 123.740 0.004 1 245 488 27 ARG H H 8.268 0.001 1 246 488 27 ARG HA H 4.244 0.002 1 247 488 27 ARG HB2 H 1.759 0.004 2 248 488 27 ARG HB3 H 1.759 0.004 2 249 488 27 ARG HG2 H 1.585 0.024 2 250 488 27 ARG HG3 H 1.585 0.024 2 251 488 27 ARG HD2 H 3.119 0.001 2 252 488 27 ARG HD3 H 3.119 0.001 2 253 488 27 ARG C C 176.981 0.002 1 254 488 27 ARG CA C 56.239 0.033 1 255 488 27 ARG CB C 30.619 0.035 1 256 488 27 ARG CG C 27.174 0.041 1 257 488 27 ARG CD C 43.502 0.000 1 258 488 27 ARG N N 120.050 0.006 1 259 489 28 GLY H H 8.320 0.000 1 260 489 28 GLY HA2 H 3.910 0.001 2 261 489 28 GLY HA3 H 3.910 0.001 2 262 489 28 GLY C C 173.551 0.000 1 263 489 28 GLY CA C 45.135 0.001 1 264 489 28 GLY N N 109.814 0.016 1 265 490 29 SER HA H 4.386 0.003 1 266 490 29 SER HB2 H 3.821 0.001 2 267 490 29 SER HB3 H 3.821 0.001 2 268 490 29 SER C C 175.234 0.005 1 269 490 29 SER CA C 58.593 0.020 1 270 490 29 SER CB C 63.994 0.029 1 271 490 29 SER N N 115.721 0.000 1 272 491 30 GLY H H 8.473 0.000 1 273 491 30 GLY HA2 H 3.918 0.004 2 274 491 30 GLY HA3 H 3.918 0.004 2 275 491 30 GLY C C 174.279 0.018 1 276 491 30 GLY CA C 45.326 0.056 1 277 491 30 GLY N N 111.019 0.033 1 278 492 31 SER H H 8.144 0.002 1 279 492 31 SER HA H 4.375 0.008 1 280 492 31 SER HB2 H 3.792 0.010 2 281 492 31 SER HB3 H 3.792 0.010 2 282 492 31 SER C C 174.548 0.008 1 283 492 31 SER CA C 58.314 0.022 1 284 492 31 SER CB C 63.904 0.059 1 285 492 31 SER N N 115.665 0.029 1 286 493 32 ALA H H 8.334 0.000 1 287 493 32 ALA HA H 4.229 0.015 1 288 493 32 ALA HB H 1.310 0.002 1 289 493 32 ALA C C 177.519 0.005 1 290 493 32 ALA CA C 52.866 0.049 1 291 493 32 ALA CB C 19.048 0.113 1 292 493 32 ALA N N 125.699 0.014 1 293 494 33 ASN H H 8.251 0.000 1 294 494 33 ASN HA H 4.625 0.007 1 295 494 33 ASN HB2 H 2.708 0.000 2 296 494 33 ASN HB3 H 2.708 0.000 2 297 494 33 ASN C C 175.203 0.002 1 298 494 33 ASN CA C 53.086 0.071 1 299 494 33 ASN CB C 38.813 0.047 1 300 494 33 ASN N N 117.187 0.030 1 301 495 34 SER H H 8.112 0.000 1 302 495 34 SER HA H 4.408 0.005 1 303 495 34 SER HB2 H 3.784 0.001 2 304 495 34 SER HB3 H 3.784 0.001 2 305 495 34 SER C C 174.626 0.010 1 306 495 34 SER CA C 58.372 0.024 1 307 495 34 SER CB C 63.805 0.043 1 308 495 34 SER N N 116.010 0.017 1 309 496 35 VAL H H 8.094 0.006 1 310 496 35 VAL HA H 4.065 0.004 1 311 496 35 VAL HB H 2.032 0.003 1 312 496 35 VAL HG1 H 0.865 0.002 2 313 496 35 VAL HG2 H 0.873 0.002 2 314 496 35 VAL C C 176.759 0.002 1 315 496 35 VAL CA C 62.621 0.079 1 316 496 35 VAL CB C 32.453 0.048 1 317 496 35 VAL CG1 C 21.029 0.031 1 318 496 35 VAL CG2 C 20.419 0.015 1 319 496 35 VAL N N 121.491 0.012 1 320 497 36 GLY H H 8.376 0.010 1 321 497 36 GLY HA2 H 3.903 0.003 2 322 497 36 GLY HA3 H 3.903 0.003 2 323 497 36 GLY C C 174.175 0.001 1 324 497 36 GLY CA C 45.239 0.013 1 325 497 36 GLY N N 112.218 0.007 1 326 499 38 SER CA C 58.569 0.000 1 327 499 38 SER CB C 63.757 0.000 1 328 500 39 THR H H 8.150 0.004 1 329 500 39 THR HA H 4.330 0.008 1 330 500 39 THR HB H 4.184 0.003 1 331 500 39 THR HG2 H 1.123 0.004 1 332 500 39 THR C C 174.707 0.007 1 333 500 39 THR CA C 61.911 0.035 1 334 500 39 THR CB C 69.524 0.103 1 335 500 39 THR CG2 C 21.705 0.032 1 336 500 39 THR N N 115.539 0.009 1 337 501 40 THR H H 8.031 0.002 1 338 501 40 THR HA H 4.254 0.005 1 339 501 40 THR HB H 4.093 0.002 1 340 501 40 THR HG2 H 1.104 0.002 1 341 501 40 THR C C 174.115 0.001 1 342 501 40 THR CA C 61.853 0.064 1 343 501 40 THR CB C 69.645 0.088 1 344 501 40 THR CG2 C 21.789 0.050 1 345 501 40 THR N N 116.532 0.006 1 346 502 41 ARG H H 8.232 0.004 1 347 502 41 ARG HA H 4.542 0.002 1 348 502 41 ARG HB2 H 1.749 0.000 2 349 502 41 ARG HB3 H 1.647 0.000 2 350 502 41 ARG HG2 H 1.586 0.000 2 351 502 41 ARG HG3 H 1.586 0.000 2 352 502 41 ARG HD2 H 3.116 0.000 2 353 502 41 ARG HD3 H 3.116 0.000 2 354 502 41 ARG C C 174.002 0.000 1 355 502 41 ARG CA C 53.939 0.048 1 356 502 41 ARG CB C 30.176 0.025 1 357 502 41 ARG CG C 26.745 0.022 1 358 502 41 ARG CD C 43.352 0.001 1 359 502 41 ARG N N 124.908 0.003 1 360 503 42 PRO HA H 4.311 0.001 1 361 503 42 PRO HB2 H 2.208 0.000 2 362 503 42 PRO HB3 H 1.805 0.000 2 363 503 42 PRO HD2 H 3.715 0.002 2 364 503 42 PRO HD3 H 3.512 0.007 2 365 503 42 PRO CA C 62.856 0.004 1 366 503 42 PRO CB C 32.174 0.000 1 367 503 42 PRO CG C 27.405 0.000 1 368 503 42 PRO CD C 50.500 0.054 1 369 504 43 LYS H H 8.400 0.004 1 370 504 43 LYS HA H 4.193 0.000 1 371 504 43 LYS HB2 H 1.696 0.000 2 372 504 43 LYS HB3 H 1.696 0.000 2 373 504 43 LYS HG2 H 1.359 0.000 2 374 504 43 LYS HG3 H 1.359 0.000 2 375 504 43 LYS C C 176.485 0.000 1 376 504 43 LYS CA C 56.132 0.018 1 377 504 43 LYS CB C 33.133 0.033 1 378 504 43 LYS CG C 24.885 0.040 1 379 504 43 LYS CD C 29.209 0.000 1 380 504 43 LYS N N 121.745 0.054 1 381 505 44 SER H H 8.279 0.007 1 382 505 44 SER HB2 H 3.701 0.002 2 383 505 44 SER HB3 H 3.673 0.000 2 384 505 44 SER C C 172.734 0.040 1 385 505 44 SER CA C 56.147 0.000 1 386 505 44 SER CB C 63.463 0.056 1 387 505 44 SER N N 118.125 0.000 1 388 506 45 PRO HA H 4.339 0.009 1 389 506 45 PRO C C 176.016 0.000 1 390 506 45 PRO CA C 62.925 0.060 1 391 506 45 PRO CB C 32.073 0.065 1 392 506 45 PRO CG C 27.145 0.011 1 393 506 45 PRO N N 138.035 0.000 1 394 507 46 TRP H H 8.035 0.010 1 395 507 46 TRP HA H 4.575 0.000 1 396 507 46 TRP HB2 H 3.004 0.010 2 397 507 46 TRP HB3 H 3.004 0.010 2 398 507 46 TRP HD1 H 7.086 0.010 1 399 507 46 TRP HE1 H 10.057 0.009 1 400 507 46 TRP HE3 H 7.418 0.000 1 401 507 46 TRP HZ2 H 7.309 0.015 1 402 507 46 TRP HZ3 H 6.914 0.008 1 403 507 46 TRP HH2 H 7.009 0.006 1 404 507 46 TRP CA C 57.011 0.000 1 405 507 46 TRP CB C 29.906 0.000 1 406 507 46 TRP CD1 C 127.026 0.067 1 407 507 46 TRP CE3 C 120.701 0.000 1 408 507 46 TRP CZ2 C 114.352 0.109 1 409 507 46 TRP CZ3 C 121.499 0.000 1 410 507 46 TRP CH2 C 124.107 0.044 1 411 507 46 TRP N N 121.108 0.002 1 412 507 46 TRP NE1 N 129.443 0.000 1 413 508 47 MET HA H 4.538 0.002 1 414 508 47 MET HE H 1.864 0.003 1 415 508 47 MET CE C 17.080 0.007 1 416 512 51 THR HA H 3.910 0.003 1 417 512 51 THR HB H 4.046 0.002 1 418 512 51 THR HG2 H 1.171 0.009 1 419 512 51 THR C C 176.010 0.000 1 420 512 51 THR CA C 65.623 0.037 1 421 512 51 THR CB C 68.560 0.060 1 422 512 51 THR CG2 C 22.206 0.074 1 423 513 52 LEU H H 7.277 0.001 1 424 513 52 LEU HA H 3.874 0.011 1 425 513 52 LEU HB2 H 1.239 0.005 2 426 513 52 LEU HB3 H 1.239 0.005 2 427 513 52 LEU HG H 1.754 0.002 1 428 513 52 LEU HD1 H 0.782 0.000 2 429 513 52 LEU HD2 H 0.747 0.002 2 430 513 52 LEU CA C 58.047 0.024 1 431 513 52 LEU CB C 41.562 0.032 1 432 513 52 LEU CG C 26.696 0.003 1 433 513 52 LEU CD1 C 25.711 0.000 1 434 513 52 LEU CD2 C 23.924 0.000 1 435 513 52 LEU N N 123.686 0.000 1 436 514 53 PHE HA H 4.227 0.007 1 437 514 53 PHE HB2 H 3.076 0.003 2 438 514 53 PHE HB3 H 2.861 0.005 2 439 514 53 PHE HD1 H 6.861 0.003 1 440 514 53 PHE HD2 H 6.861 0.003 1 441 514 53 PHE HE1 H 6.607 0.012 1 442 514 53 PHE HE2 H 6.607 0.012 1 443 514 53 PHE C C 177.862 0.000 1 444 514 53 PHE CA C 57.900 0.069 1 445 514 53 PHE CB C 36.948 0.063 1 446 514 53 PHE CD1 C 130.233 0.020 1 447 515 54 ALA H H 7.655 0.007 1 448 515 54 ALA HA H 4.074 0.005 1 449 515 54 ALA HB H 1.445 0.004 1 450 515 54 ALA C C 179.724 0.000 1 451 515 54 ALA CA C 54.838 0.054 1 452 515 54 ALA CB C 17.913 0.016 1 453 515 54 ALA N N 120.141 0.100 1 454 516 55 ALA H H 7.424 0.013 1 455 516 55 ALA HA H 4.277 0.007 1 456 516 55 ALA HB H 1.465 0.012 1 457 516 55 ALA C C 179.917 0.000 1 458 516 55 ALA CA C 54.376 0.121 1 459 516 55 ALA CB C 19.415 0.060 1 460 516 55 ALA N N 119.015 0.000 1 461 517 56 ILE H H 7.931 0.014 1 462 517 56 ILE HA H 4.175 0.013 1 463 517 56 ILE HB H 1.996 0.007 1 464 517 56 ILE HG12 H 1.441 0.000 2 465 517 56 ILE HG13 H 1.072 0.000 2 466 517 56 ILE HG2 H 0.852 0.008 1 467 517 56 ILE HD1 H 0.712 0.006 1 468 517 56 ILE C C 177.739 0.000 1 469 517 56 ILE CA C 62.714 0.127 1 470 517 56 ILE CB C 38.847 0.055 1 471 517 56 ILE CG1 C 26.828 0.140 1 472 517 56 ILE CG2 C 17.760 0.092 1 473 517 56 ILE CD1 C 13.967 0.036 1 474 517 56 ILE N N 111.300 0.018 1 475 518 57 SER H H 7.804 0.018 1 476 518 57 SER HA H 4.079 0.006 1 477 518 57 SER HB2 H 3.897 0.000 2 478 518 57 SER HB3 H 3.816 0.000 2 479 518 57 SER CA C 61.994 0.062 1 480 518 57 SER CB C 63.023 0.020 1 481 518 57 SER N N 117.039 0.024 1 482 519 58 HIS HA H 4.625 0.009 1 483 519 58 HIS HB2 H 3.153 0.000 2 484 519 58 HIS HB3 H 3.062 0.000 2 485 519 58 HIS HD2 H 7.132 0.003 1 486 519 58 HIS HE1 H 8.000 0.001 1 487 519 58 HIS C C 175.740 0.000 1 488 519 58 HIS CA C 57.002 0.110 1 489 519 58 HIS CB C 29.812 0.125 1 490 519 58 HIS CD2 C 119.985 0.008 1 491 519 58 HIS CE1 C 138.103 0.046 1 492 520 59 LYS H H 7.851 0.016 1 493 520 59 LYS HA H 4.397 0.006 1 494 520 59 LYS HB2 H 1.933 0.001 2 495 520 59 LYS HB3 H 1.570 0.005 2 496 520 59 LYS HG2 H 1.200 0.001 2 497 520 59 LYS HG3 H 1.106 0.002 2 498 520 59 LYS HD2 H 1.510 0.000 2 499 520 59 LYS HD3 H 1.510 0.000 2 500 520 59 LYS HE2 H 2.898 0.000 2 501 520 59 LYS HE3 H 2.898 0.000 2 502 520 59 LYS C C 175.450 0.019 1 503 520 59 LYS CA C 55.477 0.065 1 504 520 59 LYS CB C 34.736 0.044 1 505 520 59 LYS CG C 24.549 0.030 1 506 520 59 LYS CD C 28.895 0.084 1 507 520 59 LYS CE C 42.387 0.000 1 508 520 59 LYS N N 118.045 0.020 1 509 521 60 VAL H H 7.145 0.009 1 510 521 60 VAL HA H 4.301 0.009 1 511 521 60 VAL HB H 2.068 0.013 1 512 521 60 VAL HG1 H 0.866 0.003 2 513 521 60 VAL HG2 H 0.735 0.004 2 514 521 60 VAL C C 174.690 0.007 1 515 521 60 VAL CA C 60.172 0.038 1 516 521 60 VAL CB C 34.056 0.043 1 517 521 60 VAL CG1 C 21.960 0.070 1 518 521 60 VAL CG2 C 20.690 0.111 1 519 521 60 VAL N N 116.394 0.001 1 520 522 61 ALA H H 8.821 0.008 1 521 522 61 ALA HA H 4.219 0.006 1 522 522 61 ALA HB H 1.451 0.005 1 523 522 61 ALA C C 178.885 0.007 1 524 522 61 ALA CA C 52.094 0.029 1 525 522 61 ALA CB C 19.252 0.039 1 526 522 61 ALA N N 127.168 0.014 1 527 523 62 GLU H H 8.896 0.005 1 528 523 62 GLU HA H 3.846 0.007 1 529 523 62 GLU HB2 H 2.027 0.001 2 530 523 62 GLU HB3 H 1.910 0.001 2 531 523 62 GLU HG2 H 2.267 0.001 2 532 523 62 GLU HG3 H 2.162 0.001 2 533 523 62 GLU C C 178.999 0.000 1 534 523 62 GLU CA C 60.320 0.036 1 535 523 62 GLU CB C 29.495 0.050 1 536 523 62 GLU CG C 36.240 0.063 1 537 523 62 GLU N N 123.054 0.002 1 538 524 63 ASN H H 8.862 0.004 1 539 524 63 ASN HA H 4.314 0.004 1 540 524 63 ASN HB2 H 2.667 0.004 2 541 524 63 ASN HB3 H 2.667 0.004 2 542 524 63 ASN HD21 H 7.619 0.005 2 543 524 63 ASN HD22 H 6.802 0.001 2 544 524 63 ASN C C 177.481 0.000 1 545 524 63 ASN CA C 56.255 0.045 1 546 524 63 ASN CB C 37.727 0.098 1 547 524 63 ASN N N 114.980 0.007 1 548 524 63 ASN ND2 N 112.986 0.021 1 549 525 64 ASP H H 6.965 0.007 1 550 525 64 ASP HA H 4.504 0.005 1 551 525 64 ASP HB2 H 2.691 0.002 2 552 525 64 ASP HB3 H 2.219 0.010 2 553 525 64 ASP C C 178.078 0.009 1 554 525 64 ASP CA C 57.051 0.080 1 555 525 64 ASP CB C 40.443 0.044 1 556 525 64 ASP N N 119.740 0.004 1 557 526 65 MET H H 7.814 0.010 1 558 526 65 MET HA H 4.250 0.007 1 559 526 65 MET HB2 H 1.936 0.000 2 560 526 65 MET HB3 H 1.936 0.000 2 561 526 65 MET HG2 H 2.421 0.004 2 562 526 65 MET HG3 H 2.421 0.004 2 563 526 65 MET HE H 1.667 0.005 1 564 526 65 MET C C 178.987 0.011 1 565 526 65 MET CA C 56.318 0.061 1 566 526 65 MET CB C 30.099 0.032 1 567 526 65 MET CG C 31.655 0.020 1 568 526 65 MET CE C 15.728 0.004 1 569 526 65 MET N N 119.367 0.013 1 570 527 66 LEU H H 7.739 0.014 1 571 527 66 LEU HA H 3.997 0.006 1 572 527 66 LEU HB2 H 1.831 0.009 2 573 527 66 LEU HB3 H 1.508 0.001 2 574 527 66 LEU HG H 1.742 0.004 1 575 527 66 LEU HD1 H 0.869 0.002 2 576 527 66 LEU HD2 H 0.806 0.003 2 577 527 66 LEU C C 180.509 0.001 1 578 527 66 LEU CA C 58.274 0.109 1 579 527 66 LEU CB C 41.491 0.017 1 580 527 66 LEU CG C 26.705 0.006 1 581 527 66 LEU CD1 C 25.290 0.084 1 582 527 66 LEU CD2 C 23.061 0.039 1 583 527 66 LEU N N 119.139 0.017 1 584 528 67 LEU H H 7.265 0.011 1 585 528 67 LEU HA H 4.003 0.008 1 586 528 67 LEU HB2 H 1.991 0.003 2 587 528 67 LEU HB3 H 1.498 0.007 2 588 528 67 LEU HG H 1.822 0.002 1 589 528 67 LEU HD1 H 0.873 0.003 2 590 528 67 LEU HD2 H 0.777 0.010 2 591 528 67 LEU C C 179.330 0.000 1 592 528 67 LEU CA C 58.109 0.101 1 593 528 67 LEU CB C 41.506 0.057 1 594 528 67 LEU CG C 26.329 0.013 1 595 528 67 LEU CD1 C 25.242 0.045 1 596 528 67 LEU CD2 C 22.825 0.078 1 597 528 67 LEU N N 120.864 0.010 1 598 529 68 ILE H H 7.972 0.007 1 599 529 68 ILE HA H 3.682 0.007 1 600 529 68 ILE HB H 1.671 0.006 1 601 529 68 ILE HG12 H 1.750 0.001 2 602 529 68 ILE HG13 H 0.796 0.000 2 603 529 68 ILE HG2 H 0.364 0.008 1 604 529 68 ILE HD1 H 0.576 0.008 1 605 529 68 ILE C C 178.249 0.008 1 606 529 68 ILE CA C 65.169 0.071 1 607 529 68 ILE CB C 38.200 0.057 1 608 529 68 ILE CG1 C 28.913 0.030 1 609 529 68 ILE CG2 C 16.977 0.040 1 610 529 68 ILE CD1 C 13.853 0.053 1 611 529 68 ILE N N 120.576 0.011 1 612 530 69 ASN H H 8.403 0.007 1 613 530 69 ASN HA H 4.305 0.006 1 614 530 69 ASN HB2 H 2.737 0.000 2 615 530 69 ASN HB3 H 2.657 0.005 2 616 530 69 ASN HD21 H 7.217 0.016 2 617 530 69 ASN HD22 H 6.592 0.002 2 618 530 69 ASN C C 178.055 0.000 1 619 530 69 ASN CA C 56.339 0.109 1 620 530 69 ASN CB C 38.493 0.045 1 621 530 69 ASN N N 117.433 0.012 1 622 530 69 ASN ND2 N 110.620 0.001 1 623 531 70 ALA H H 7.856 0.011 1 624 531 70 ALA HA H 4.165 0.015 1 625 531 70 ALA HB H 1.488 0.002 1 626 531 70 ALA C C 180.953 0.000 1 627 531 70 ALA CA C 55.345 0.069 1 628 531 70 ALA CB C 17.860 0.066 1 629 531 70 ALA N N 123.558 0.018 1 630 532 71 ASP H H 8.115 0.008 1 631 532 71 ASP HA H 4.407 0.003 1 632 532 71 ASP HB2 H 3.065 0.007 2 633 532 71 ASP HB3 H 2.632 0.008 2 634 532 71 ASP C C 177.897 0.000 1 635 532 71 ASP CA C 57.540 0.111 1 636 532 71 ASP CB C 39.352 0.058 1 637 532 71 ASP N N 121.276 0.020 1 638 533 72 TYR H H 9.131 0.005 1 639 533 72 TYR HA H 3.577 0.006 1 640 533 72 TYR HB2 H 2.990 0.008 2 641 533 72 TYR HB3 H 2.990 0.008 2 642 533 72 TYR HD1 H 6.521 0.007 1 643 533 72 TYR HD2 H 6.521 0.007 1 644 533 72 TYR HE1 H 6.520 0.010 1 645 533 72 TYR HE2 H 6.520 0.010 1 646 533 72 TYR C C 177.372 0.000 1 647 533 72 TYR CA C 60.594 0.084 1 648 533 72 TYR CB C 37.761 0.077 1 649 533 72 TYR CD1 C 132.730 0.050 1 650 533 72 TYR CE1 C 117.502 0.027 1 651 533 72 TYR N N 122.038 0.002 1 652 534 73 GLN H H 7.954 0.006 1 653 534 73 GLN HA H 3.584 0.006 1 654 534 73 GLN HB2 H 2.112 0.005 2 655 534 73 GLN HB3 H 2.112 0.005 2 656 534 73 GLN HG2 H 2.359 0.015 2 657 534 73 GLN HG3 H 2.332 0.002 2 658 534 73 GLN HE21 H 7.566 0.002 2 659 534 73 GLN HE22 H 6.776 0.009 2 660 534 73 GLN C C 178.030 0.003 1 661 534 73 GLN CA C 58.520 0.026 1 662 534 73 GLN CB C 27.659 0.036 1 663 534 73 GLN CG C 33.378 0.067 1 664 534 73 GLN N N 118.167 0.016 1 665 534 73 GLN NE2 N 114.710 0.025 1 666 535 74 GLN H H 7.312 0.010 1 667 535 74 GLN HA H 3.973 0.003 1 668 535 74 GLN HB2 H 2.444 0.004 2 669 535 74 GLN HB3 H 1.884 0.006 2 670 535 74 GLN HG2 H 2.565 0.008 2 671 535 74 GLN HG3 H 2.316 0.011 2 672 535 74 GLN HE21 H 7.317 0.002 2 673 535 74 GLN HE22 H 6.693 0.007 2 674 535 74 GLN C C 178.591 0.012 1 675 535 74 GLN CA C 59.501 0.070 1 676 535 74 GLN CB C 28.828 0.060 1 677 535 74 GLN CG C 34.320 0.074 1 678 535 74 GLN N N 116.777 0.015 1 679 535 74 GLN NE2 N 111.891 0.048 1 680 536 75 LEU H H 8.009 0.000 1 681 536 75 LEU HA H 4.137 0.002 1 682 536 75 LEU HB2 H 1.740 0.005 2 683 536 75 LEU HB3 H 0.921 0.003 2 684 536 75 LEU HG H 1.735 0.000 1 685 536 75 LEU HD1 H 0.376 0.005 2 686 536 75 LEU HD2 H 0.698 0.003 2 687 536 75 LEU CA C 58.341 0.079 1 688 536 75 LEU CB C 41.008 0.088 1 689 536 75 LEU CD1 C 25.941 0.024 1 690 536 75 LEU CD2 C 23.914 0.022 1 691 536 75 LEU N N 122.643 0.032 1 692 537 76 ARG H H 8.274 0.009 1 693 537 76 ARG HA H 3.621 0.011 1 694 537 76 ARG HB2 H 1.646 0.003 2 695 537 76 ARG HB3 H 1.508 0.004 2 696 537 76 ARG HG2 H 1.106 0.003 2 697 537 76 ARG HG3 H 1.027 0.003 2 698 537 76 ARG HD2 H 2.902 0.000 2 699 537 76 ARG HD3 H 2.754 0.005 2 700 537 76 ARG C C 177.740 0.000 1 701 537 76 ARG CA C 59.272 0.041 1 702 537 76 ARG CB C 29.247 0.044 1 703 537 76 ARG CG C 26.743 0.063 1 704 537 76 ARG CD C 43.166 0.081 1 705 537 76 ARG N N 121.913 0.002 1 706 538 77 ASP H H 7.670 0.003 1 707 538 77 ASP HA H 4.603 0.005 1 708 538 77 ASP HB2 H 2.768 0.002 2 709 538 77 ASP HB3 H 2.501 0.007 2 710 538 77 ASP C C 174.810 0.002 1 711 538 77 ASP CA C 54.379 0.054 1 712 538 77 ASP CB C 40.728 0.053 1 713 538 77 ASP N N 117.442 0.009 1 714 539 78 LYS H H 8.020 0.003 1 715 539 78 LYS HA H 4.032 0.004 1 716 539 78 LYS HB2 H 2.009 0.000 2 717 539 78 LYS HB3 H 2.009 0.000 2 718 539 78 LYS HG2 H 1.317 0.002 2 719 539 78 LYS HG3 H 1.317 0.002 2 720 539 78 LYS HD2 H 1.618 0.000 2 721 539 78 LYS HD3 H 1.618 0.000 2 722 539 78 LYS HE2 H 2.928 0.000 2 723 539 78 LYS HE3 H 2.928 0.000 2 724 539 78 LYS C C 176.383 0.001 1 725 539 78 LYS CA C 57.525 0.073 1 726 539 78 LYS CB C 28.286 0.067 1 727 539 78 LYS CG C 25.137 0.086 1 728 539 78 LYS N N 114.070 0.004 1 729 540 79 LYS H H 8.462 0.002 1 730 540 79 LYS HA H 4.289 0.004 1 731 540 79 LYS HB2 H 1.985 0.006 2 732 540 79 LYS HB3 H 1.520 0.003 2 733 540 79 LYS HG2 H 1.314 0.000 2 734 540 79 LYS HG3 H 1.314 0.000 2 735 540 79 LYS HD2 H 1.514 0.001 2 736 540 79 LYS HD3 H 1.514 0.001 2 737 540 79 LYS HE2 H 2.927 0.000 2 738 540 79 LYS HE3 H 2.927 0.000 2 739 540 79 LYS C C 175.582 0.004 1 740 540 79 LYS CA C 55.784 0.049 1 741 540 79 LYS CB C 33.362 0.079 1 742 540 79 LYS CG C 25.308 0.102 1 743 540 79 LYS CD C 28.852 0.071 1 744 540 79 LYS CE C 42.099 0.000 1 745 540 79 LYS N N 116.564 0.000 1 746 541 80 MET H H 7.232 0.006 1 747 541 80 MET HA H 4.580 0.007 1 748 541 80 MET HB2 H 1.993 0.009 2 749 541 80 MET HB3 H 1.638 0.010 2 750 541 80 MET HG2 H 2.470 0.006 2 751 541 80 MET HG3 H 2.470 0.006 2 752 541 80 MET HE H 2.015 0.005 1 753 541 80 MET C C 174.440 0.004 1 754 541 80 MET CA C 54.199 0.040 1 755 541 80 MET CB C 37.308 0.083 1 756 541 80 MET CG C 30.496 0.075 1 757 541 80 MET CE C 16.527 0.014 1 758 541 80 MET N N 117.416 0.000 1 759 542 81 THR H H 8.588 0.003 1 760 542 81 THR HA H 4.388 0.011 1 761 542 81 THR HB H 4.681 0.016 1 762 542 81 THR HG2 H 1.246 0.002 1 763 542 81 THR C C 175.485 0.013 1 764 542 81 THR CA C 60.839 0.076 1 765 542 81 THR CB C 71.103 0.092 1 766 542 81 THR CG2 C 21.879 0.078 1 767 542 81 THR N N 113.701 0.034 1 768 543 82 ARG H H 9.040 0.008 1 769 543 82 ARG HA H 3.928 0.006 1 770 543 82 ARG HB2 H 1.902 0.006 2 771 543 82 ARG HB3 H 1.902 0.006 2 772 543 82 ARG HG2 H 1.721 0.000 2 773 543 82 ARG HG3 H 1.721 0.000 2 774 543 82 ARG HD2 H 3.110 0.000 2 775 543 82 ARG HD3 H 3.110 0.000 2 776 543 82 ARG C C 177.844 0.000 1 777 543 82 ARG CA C 60.432 0.102 1 778 543 82 ARG CB C 29.633 0.106 1 779 543 82 ARG CG C 28.195 0.005 1 780 543 82 ARG CD C 43.271 0.000 1 781 543 82 ARG N N 122.276 0.010 1 782 544 83 ALA H H 8.441 0.007 1 783 544 83 ALA HA H 4.026 0.005 1 784 544 83 ALA HB H 1.372 0.003 1 785 544 83 ALA C C 180.817 0.011 1 786 544 83 ALA CA C 55.198 0.113 1 787 544 83 ALA CB C 18.257 0.037 1 788 544 83 ALA N N 119.208 0.009 1 789 545 84 GLU H H 7.756 0.005 1 790 545 84 GLU HA H 4.064 0.004 1 791 545 84 GLU HB2 H 2.095 0.002 2 792 545 84 GLU HB3 H 1.858 0.004 2 793 545 84 GLU HG2 H 2.285 0.004 2 794 545 84 GLU HG3 H 2.285 0.004 2 795 545 84 GLU C C 177.912 0.003 1 796 545 84 GLU CA C 58.571 0.050 1 797 545 84 GLU CB C 29.573 0.042 1 798 545 84 GLU CG C 36.060 0.051 1 799 545 84 GLU N N 119.676 0.011 1 800 546 85 PHE H H 8.347 0.008 1 801 546 85 PHE HA H 4.079 0.009 1 802 546 85 PHE HB2 H 3.093 0.006 2 803 546 85 PHE HB3 H 3.093 0.006 2 804 546 85 PHE HD1 H 6.940 0.006 1 805 546 85 PHE HD2 H 6.940 0.006 1 806 546 85 PHE HE1 H 6.931 0.006 1 807 546 85 PHE HE2 H 6.931 0.006 1 808 546 85 PHE HZ H 7.056 0.000 1 809 546 85 PHE C C 176.624 0.000 1 810 546 85 PHE CA C 62.575 0.096 1 811 546 85 PHE CB C 39.709 0.067 1 812 546 85 PHE CD1 C 131.755 0.009 1 813 546 85 PHE CE1 C 130.567 0.014 1 814 546 85 PHE N N 120.713 0.035 1 815 547 86 VAL H H 8.598 0.006 1 816 547 86 VAL HA H 3.196 0.018 1 817 547 86 VAL HB H 2.071 0.005 1 818 547 86 VAL HG1 H 1.171 0.008 2 819 547 86 VAL HG2 H 0.882 0.007 2 820 547 86 VAL C C 177.190 0.004 1 821 547 86 VAL CA C 66.985 0.062 1 822 547 86 VAL CB C 31.453 0.057 1 823 547 86 VAL CG1 C 23.825 0.104 1 824 547 86 VAL CG2 C 21.754 0.078 1 825 547 86 VAL N N 117.900 0.020 1 826 548 87 ARG H H 7.628 0.006 1 827 548 87 ARG HA H 3.784 0.004 1 828 548 87 ARG HB2 H 1.857 0.000 2 829 548 87 ARG HB3 H 1.857 0.000 2 830 548 87 ARG HG2 H 1.637 0.000 2 831 548 87 ARG HG3 H 1.435 0.003 2 832 548 87 ARG HD2 H 3.039 0.000 2 833 548 87 ARG HD3 H 3.039 0.000 2 834 548 87 ARG C C 179.084 0.003 1 835 548 87 ARG CA C 60.136 0.038 1 836 548 87 ARG CB C 29.940 0.031 1 837 548 87 ARG CG C 27.454 0.053 1 838 548 87 ARG N N 119.761 0.040 1 839 549 88 LYS H H 7.815 0.005 1 840 549 88 LYS HA H 3.697 0.010 1 841 549 88 LYS HB2 H 1.663 0.016 2 842 549 88 LYS HB3 H 1.663 0.016 2 843 549 88 LYS HG2 H 1.595 0.000 2 844 549 88 LYS HG3 H 1.234 0.001 2 845 549 88 LYS HD2 H 1.610 0.000 2 846 549 88 LYS HD3 H 1.610 0.000 2 847 549 88 LYS HE2 H 2.888 0.008 2 848 549 88 LYS HE3 H 2.888 0.008 2 849 549 88 LYS C C 178.793 0.000 1 850 549 88 LYS CA C 59.598 0.068 1 851 549 88 LYS CB C 31.984 0.105 1 852 549 88 LYS CG C 25.414 0.029 1 853 549 88 LYS CD C 28.156 0.000 1 854 549 88 LYS CE C 41.660 0.000 1 855 549 88 LYS N N 118.930 0.048 1 856 550 89 LEU H H 8.305 0.009 1 857 550 89 LEU HA H 3.679 0.010 1 858 550 89 LEU HB2 H 1.555 0.011 2 859 550 89 LEU HB3 H 0.934 0.009 2 860 550 89 LEU HG H 1.295 0.002 1 861 550 89 LEU HD1 H 0.755 0.012 2 862 550 89 LEU HD2 H 0.741 0.004 2 863 550 89 LEU C C 178.628 0.000 1 864 550 89 LEU CA C 57.794 0.084 1 865 550 89 LEU CB C 42.047 0.114 1 866 550 89 LEU CG C 26.391 0.053 1 867 550 89 LEU CD1 C 26.149 0.042 1 868 550 89 LEU CD2 C 24.870 0.084 1 869 550 89 LEU N N 121.410 0.064 1 870 551 90 ARG H H 8.123 0.008 1 871 551 90 ARG HA H 3.546 0.007 1 872 551 90 ARG HB2 H 1.905 0.002 2 873 551 90 ARG HB3 H 1.746 0.005 2 874 551 90 ARG HG2 H 1.711 0.000 2 875 551 90 ARG HG3 H 1.711 0.000 2 876 551 90 ARG HD2 H 3.022 0.001 2 877 551 90 ARG HD3 H 3.022 0.001 2 878 551 90 ARG C C 179.186 0.000 1 879 551 90 ARG CA C 60.011 0.047 1 880 551 90 ARG CB C 30.523 0.092 1 881 551 90 ARG CG C 27.668 0.071 1 882 551 90 ARG CD C 43.929 0.000 1 883 551 90 ARG N N 117.286 0.037 1 884 552 91 VAL H H 7.393 0.014 1 885 552 91 VAL HA H 3.564 0.011 1 886 552 91 VAL HB H 2.111 0.012 1 887 552 91 VAL HG1 H 0.991 0.003 2 888 552 91 VAL HG2 H 0.828 0.006 2 889 552 91 VAL C C 176.370 1.394 1 890 552 91 VAL CA C 65.989 0.071 1 891 552 91 VAL CB C 31.779 0.064 1 892 552 91 VAL CG1 C 22.702 0.034 1 893 552 91 VAL CG2 C 21.209 0.092 1 894 552 91 VAL N N 118.596 0.052 1 895 553 92 ILE H H 7.582 0.016 1 896 553 92 ILE HA H 3.661 0.007 1 897 553 92 ILE HB H 1.576 0.003 1 898 553 92 ILE HG12 H 1.608 0.002 2 899 553 92 ILE HG13 H 0.941 0.001 2 900 553 92 ILE HG2 H 0.768 0.003 1 901 553 92 ILE HD1 H 0.697 0.003 1 902 553 92 ILE C C 177.564 0.000 1 903 553 92 ILE CA C 64.720 0.083 1 904 553 92 ILE CB C 39.024 0.027 1 905 553 92 ILE CG1 C 28.977 0.019 1 906 553 92 ILE CG2 C 17.340 0.064 1 907 553 92 ILE CD1 C 13.728 0.022 1 908 553 92 ILE N N 118.713 0.046 1 909 554 93 VAL H H 8.318 0.010 1 910 554 93 VAL HA H 3.905 0.010 1 911 554 93 VAL HB H 2.031 0.004 1 912 554 93 VAL HG1 H 0.853 0.004 2 913 554 93 VAL HG2 H 0.876 0.002 2 914 554 93 VAL C C 176.484 0.000 1 915 554 93 VAL CA C 63.709 0.112 1 916 554 93 VAL CB C 32.727 0.077 1 917 554 93 VAL CG1 C 22.799 0.036 1 918 554 93 VAL CG2 C 22.043 0.153 1 919 554 93 VAL N N 114.054 0.142 1 920 555 94 GLY H H 7.491 0.014 1 921 555 94 GLY HA2 H 4.391 0.010 2 922 555 94 GLY HA3 H 3.790 0.008 2 923 555 94 GLY C C 173.655 0.000 1 924 555 94 GLY CA C 44.457 0.061 1 925 555 94 GLY N N 109.174 0.009 1 926 556 95 ASP H H 8.306 0.012 1 927 556 95 ASP HA H 4.245 0.010 1 928 556 95 ASP HB2 H 2.515 0.016 2 929 556 95 ASP HB3 H 2.515 0.016 2 930 556 95 ASP C C 178.174 0.000 1 931 556 95 ASP CA C 57.834 0.036 1 932 556 95 ASP CB C 41.348 0.035 1 933 556 95 ASP N N 121.412 0.040 1 934 557 96 ASP H H 8.409 0.007 1 935 557 96 ASP HA H 4.260 0.005 1 936 557 96 ASP HB2 H 2.558 0.010 2 937 557 96 ASP HB3 H 2.558 0.010 2 938 557 96 ASP C C 178.656 0.000 1 939 557 96 ASP CA C 57.749 0.124 1 940 557 96 ASP CB C 40.189 0.043 1 941 557 96 ASP N N 118.437 0.006 1 942 558 97 LEU H H 8.354 0.008 1 943 558 97 LEU HA H 4.194 0.010 1 944 558 97 LEU HB2 H 1.545 0.006 2 945 558 97 LEU HB3 H 1.545 0.006 2 946 558 97 LEU HG H 1.315 0.003 1 947 558 97 LEU HD1 H 0.829 0.003 2 948 558 97 LEU HD2 H 0.861 0.005 2 949 558 97 LEU C C 180.265 0.000 1 950 558 97 LEU CA C 57.165 0.057 1 951 558 97 LEU CB C 41.039 0.083 1 952 558 97 LEU CG C 27.458 0.032 1 953 558 97 LEU CD1 C 25.571 0.022 1 954 558 97 LEU CD2 C 23.803 0.066 1 955 558 97 LEU N N 121.690 0.000 1 956 559 98 LEU H H 7.900 0.012 1 957 559 98 LEU HA H 3.801 0.009 1 958 559 98 LEU HB2 H 1.627 0.010 2 959 559 98 LEU HB3 H 1.627 0.010 2 960 559 98 LEU HG H 1.623 0.005 1 961 559 98 LEU HD1 H 0.711 0.011 2 962 559 98 LEU HD2 H 0.711 0.011 2 963 559 98 LEU C C 177.754 0.000 1 964 559 98 LEU CA C 58.568 0.055 1 965 559 98 LEU CB C 41.770 0.051 1 966 559 98 LEU CG C 26.563 0.051 1 967 559 98 LEU CD1 C 25.160 0.005 1 968 559 98 LEU CD2 C 24.507 0.029 1 969 559 98 LEU N N 121.621 0.044 1 970 560 99 ARG H H 8.450 0.010 1 971 560 99 ARG HA H 3.850 0.008 1 972 560 99 ARG HB2 H 1.830 0.000 2 973 560 99 ARG HB3 H 1.830 0.000 2 974 560 99 ARG HG2 H 1.656 0.000 2 975 560 99 ARG HG3 H 1.491 0.003 2 976 560 99 ARG HD2 H 3.119 0.000 2 977 560 99 ARG HD3 H 3.119 0.000 2 978 560 99 ARG C C 179.298 0.000 1 979 560 99 ARG CA C 59.870 0.040 1 980 560 99 ARG CB C 30.010 0.052 1 981 560 99 ARG CG C 27.780 0.062 1 982 560 99 ARG N N 118.010 0.036 1 983 561 100 SER H H 8.258 0.010 1 984 561 100 SER HA H 4.141 0.010 1 985 561 100 SER HB2 H 3.912 0.004 2 986 561 100 SER HB3 H 3.874 0.005 2 987 561 100 SER C C 176.742 0.000 1 988 561 100 SER CA C 61.391 0.161 1 989 561 100 SER CB C 62.667 0.078 1 990 561 100 SER N N 114.510 0.012 1 991 562 101 THR H H 7.944 0.010 1 992 562 101 THR HA H 3.867 0.014 1 993 562 101 THR HB H 4.078 0.004 1 994 562 101 THR HG2 H 1.066 0.011 1 995 562 101 THR CA C 66.729 0.041 1 996 562 101 THR CB C 68.487 0.109 1 997 562 101 THR CG2 C 21.702 0.035 1 998 562 101 THR N N 118.861 0.079 1 999 563 102 ILE H H 8.202 0.002 1 1000 563 102 ILE HA H 3.526 0.011 1 1001 563 102 ILE HB H 1.805 0.008 1 1002 563 102 ILE HG2 H 0.747 0.009 1 1003 563 102 ILE HD1 H 0.611 0.004 1 1004 563 102 ILE C C 177.351 0.000 1 1005 563 102 ILE CA C 65.361 0.139 1 1006 563 102 ILE CB C 37.800 0.047 1 1007 563 102 ILE CG1 C 29.381 0.089 1 1008 563 102 ILE CG2 C 17.287 0.133 1 1009 563 102 ILE CD1 C 13.464 0.035 1 1010 563 102 ILE N N 121.636 0.000 1 1011 564 103 THR H H 7.958 0.005 1 1012 564 103 THR HA H 3.914 0.007 1 1013 564 103 THR HB H 4.182 0.004 1 1014 564 103 THR HG2 H 1.144 0.011 1 1015 564 103 THR C C 176.301 0.000 1 1016 564 103 THR CA C 66.249 0.046 1 1017 564 103 THR CB C 68.837 0.087 1 1018 564 103 THR CG2 C 21.820 0.089 1 1019 564 103 THR N N 114.939 0.049 1 1020 565 104 THR H H 7.764 0.003 1 1021 565 104 THR HA H 4.006 0.012 1 1022 565 104 THR HB H 4.229 0.019 1 1023 565 104 THR HG2 H 1.164 0.009 1 1024 565 104 THR C C 176.317 0.000 1 1025 565 104 THR CA C 65.697 0.153 1 1026 565 104 THR CB C 68.923 0.049 1 1027 565 104 THR CG2 C 21.699 0.079 1 1028 565 104 THR N N 116.777 0.046 1 1029 566 105 LEU H H 7.897 0.009 1 1030 566 105 LEU HA H 4.044 0.006 1 1031 566 105 LEU HB2 H 1.748 0.003 2 1032 566 105 LEU HB3 H 1.404 0.001 2 1033 566 105 LEU HG H 1.706 0.004 1 1034 566 105 LEU HD1 H 0.699 0.010 2 1035 566 105 LEU HD2 H 0.720 0.004 2 1036 566 105 LEU C C 178.757 0.011 1 1037 566 105 LEU CA C 57.067 0.054 1 1038 566 105 LEU CB C 42.142 0.100 1 1039 566 105 LEU CG C 26.709 0.045 1 1040 566 105 LEU CD1 C 25.603 0.040 1 1041 566 105 LEU CD2 C 22.962 0.059 1 1042 566 105 LEU N N 121.644 0.011 1 1043 567 106 GLN H H 8.060 0.008 1 1044 567 106 GLN HA H 4.084 0.010 1 1045 567 106 GLN HB2 H 2.006 0.012 2 1046 567 106 GLN HB3 H 2.006 0.012 2 1047 567 106 GLN HG2 H 2.395 0.003 2 1048 567 106 GLN HG3 H 2.269 0.003 2 1049 567 106 GLN HE21 H 7.232 0.008 2 1050 567 106 GLN HE22 H 6.711 0.006 2 1051 567 106 GLN C C 176.268 0.002 1 1052 567 106 GLN CA C 57.139 0.080 1 1053 567 106 GLN CB C 29.007 0.028 1 1054 567 106 GLN CG C 34.149 0.075 1 1055 567 106 GLN N N 117.576 0.045 1 1056 567 106 GLN NE2 N 111.009 0.053 1 1057 568 107 ASN H H 7.745 0.008 1 1058 568 107 ASN HA H 4.646 0.003 1 1059 568 107 ASN HB2 H 2.808 0.002 2 1060 568 107 ASN HB3 H 2.670 0.004 2 1061 568 107 ASN HD21 H 7.532 0.004 2 1062 568 107 ASN HD22 H 6.863 0.007 2 1063 568 107 ASN C C 174.785 0.007 1 1064 568 107 ASN CA C 53.174 0.104 1 1065 568 107 ASN CB C 38.986 0.037 1 1066 568 107 ASN N N 117.217 0.017 1 1067 568 107 ASN ND2 N 112.799 0.016 1 1068 569 108 GLN H H 7.776 0.007 1 1069 569 108 GLN HA H 4.508 0.008 1 1070 569 108 GLN HB2 H 2.029 0.003 2 1071 569 108 GLN HB3 H 1.914 0.004 2 1072 569 108 GLN HG2 H 2.367 0.003 2 1073 569 108 GLN HG3 H 2.367 0.003 2 1074 569 108 GLN HE21 H 7.426 0.000 2 1075 569 108 GLN HE22 H 6.770 0.000 2 1076 569 108 GLN C C 173.831 0.012 1 1077 569 108 GLN CA C 54.087 0.041 1 1078 569 108 GLN CB C 28.645 0.072 1 1079 569 108 GLN CG C 33.562 0.070 1 1080 569 108 GLN N N 120.925 0.013 1 1081 569 108 GLN NE2 N 112.364 0.007 1 1082 570 109 PRO HA H 4.336 0.009 1 1083 570 109 PRO HB2 H 2.212 0.008 2 1084 570 109 PRO HB3 H 1.824 0.002 2 1085 570 109 PRO HG2 H 1.940 0.003 2 1086 570 109 PRO HG3 H 1.940 0.003 2 1087 570 109 PRO HD2 H 3.722 0.008 2 1088 570 109 PRO HD3 H 3.549 0.007 2 1089 570 109 PRO C C 176.924 0.048 1 1090 570 109 PRO CA C 63.087 0.043 1 1091 570 109 PRO CB C 32.096 0.065 1 1092 570 109 PRO CG C 27.390 0.098 1 1093 570 109 PRO CD C 50.663 0.062 1 1094 570 109 PRO N N 137.318 0.008 1 1095 571 110 LYS H H 8.384 0.010 1 1096 571 110 LYS HA H 4.217 0.005 1 1097 571 110 LYS HB2 H 1.759 0.004 2 1098 571 110 LYS HB3 H 1.663 0.006 2 1099 571 110 LYS HG2 H 1.382 0.000 2 1100 571 110 LYS HG3 H 1.382 0.000 2 1101 571 110 LYS HD2 H 1.705 0.000 2 1102 571 110 LYS HD3 H 1.705 0.000 2 1103 571 110 LYS HE2 H 2.905 0.000 2 1104 571 110 LYS HE3 H 2.905 0.000 2 1105 571 110 LYS C C 176.784 0.015 1 1106 571 110 LYS CA C 56.282 0.027 1 1107 571 110 LYS CB C 32.869 0.103 1 1108 571 110 LYS CG C 24.796 0.068 1 1109 571 110 LYS CD C 29.141 0.000 1 1110 571 110 LYS CE C 42.273 0.000 1 1111 571 110 LYS N N 121.491 0.061 1 1112 572 111 SER H H 8.224 0.000 1 1113 572 111 SER HA H 4.325 0.006 1 1114 572 111 SER HB2 H 3.811 0.003 2 1115 572 111 SER HB3 H 3.773 0.005 2 1116 572 111 SER HG H 5.576 0.002 1 1117 572 111 SER C C 174.512 0.030 1 1118 572 111 SER CA C 58.325 0.046 1 1119 572 111 SER CB C 63.875 0.104 1 1120 572 111 SER N N 116.897 0.047 1 1121 573 112 LYS H H 8.285 0.005 1 1122 573 112 LYS HA H 4.217 0.010 1 1123 573 112 LYS HB2 H 1.765 0.003 2 1124 573 112 LYS HB3 H 1.669 0.004 2 1125 573 112 LYS HG2 H 1.383 0.000 2 1126 573 112 LYS HG3 H 1.366 0.011 2 1127 573 112 LYS HD2 H 1.595 0.001 2 1128 573 112 LYS HD3 H 1.595 0.001 2 1129 573 112 LYS HE2 H 2.914 0.000 2 1130 573 112 LYS HE3 H 2.914 0.000 2 1131 573 112 LYS C C 176.273 0.018 1 1132 573 112 LYS CA C 56.427 0.043 1 1133 573 112 LYS CB C 32.877 0.061 1 1134 573 112 LYS CG C 24.725 0.054 1 1135 573 112 LYS CD C 29.022 0.004 1 1136 573 112 LYS CE C 42.084 0.000 1 1137 573 112 LYS N N 122.865 0.080 1 1138 574 113 GLU H H 8.248 0.001 1 1139 574 113 GLU HA H 4.176 0.006 1 1140 574 113 GLU HB2 H 1.854 0.000 2 1141 574 113 GLU HB3 H 1.854 0.000 2 1142 574 113 GLU HG2 H 2.114 0.005 2 1143 574 113 GLU HG3 H 2.114 0.005 2 1144 574 113 GLU C C 176.040 0.005 1 1145 574 113 GLU CA C 56.277 0.049 1 1146 574 113 GLU CB C 30.154 0.066 1 1147 574 113 GLU CG C 36.353 0.043 1 1148 574 113 GLU N N 121.679 0.043 1 1149 575 114 ILE H H 8.190 0.012 1 1150 575 114 ILE HA H 4.356 0.005 1 1151 575 114 ILE HB H 1.772 0.002 1 1152 575 114 ILE HG12 H 1.416 0.010 2 1153 575 114 ILE HG13 H 1.093 0.009 2 1154 575 114 ILE HG2 H 0.853 0.004 1 1155 575 114 ILE HD1 H 0.774 0.004 1 1156 575 114 ILE C C 174.562 0.009 1 1157 575 114 ILE CA C 58.485 0.091 1 1158 575 114 ILE CB C 38.484 0.046 1 1159 575 114 ILE CG1 C 26.930 0.049 1 1160 575 114 ILE CG2 C 17.069 0.021 1 1161 575 114 ILE CD1 C 12.616 0.048 1 1162 575 114 ILE N N 123.834 0.070 1 1163 576 115 PRO HA H 4.327 0.005 1 1164 576 115 PRO HB2 H 2.221 0.002 2 1165 576 115 PRO HB3 H 1.829 0.000 2 1166 576 115 PRO HG2 H 1.978 0.006 2 1167 576 115 PRO HG3 H 1.900 0.006 2 1168 576 115 PRO HD2 H 3.820 0.002 2 1169 576 115 PRO HD3 H 3.605 0.007 2 1170 576 115 PRO C C 177.442 0.009 1 1171 576 115 PRO CA C 63.589 0.091 1 1172 576 115 PRO CB C 32.020 0.037 1 1173 576 115 PRO CG C 27.384 0.052 1 1174 576 115 PRO CD C 51.099 0.111 1 1175 576 115 PRO N N 140.460 0.010 1 1176 577 116 GLY H H 8.481 0.005 1 1177 577 116 GLY HA2 H 3.895 0.012 2 1178 577 116 GLY HA3 H 3.895 0.012 2 1179 577 116 GLY C C 174.190 0.005 1 1180 577 116 GLY CA C 45.265 0.060 1 1181 577 116 GLY N N 109.780 0.013 1 1182 578 117 SER H H 8.039 0.002 1 1183 578 117 SER HA H 4.364 0.009 1 1184 578 117 SER HB2 H 3.785 0.012 2 1185 578 117 SER HB3 H 3.785 0.012 2 1186 578 117 SER C C 174.541 0.006 1 1187 578 117 SER CA C 58.399 0.003 1 1188 578 117 SER CB C 63.943 0.064 1 1189 578 117 SER N N 115.272 0.030 1 1190 579 118 ILE H H 8.106 0.002 1 1191 579 118 ILE HA H 4.092 0.005 1 1192 579 118 ILE HB H 1.773 0.002 1 1193 579 118 ILE HG12 H 1.373 0.006 2 1194 579 118 ILE HG13 H 1.084 0.012 2 1195 579 118 ILE HG2 H 0.795 0.004 1 1196 579 118 ILE HD1 H 0.766 0.012 1 1197 579 118 ILE C C 176.175 0.010 1 1198 579 118 ILE CA C 61.302 0.053 1 1199 579 118 ILE CB C 38.487 0.049 1 1200 579 118 ILE CG1 C 27.282 0.066 1 1201 579 118 ILE CG2 C 17.497 0.072 1 1202 579 118 ILE CD1 C 12.867 0.107 1 1203 579 118 ILE N N 122.368 0.048 1 1204 580 119 ARG H H 8.264 0.007 1 1205 580 119 ARG HA H 4.240 0.009 1 1206 580 119 ARG HB2 H 1.722 0.006 2 1207 580 119 ARG HB3 H 1.617 0.004 2 1208 580 119 ARG HG2 H 1.501 0.007 2 1209 580 119 ARG HG3 H 1.501 0.007 2 1210 580 119 ARG HD2 H 3.060 0.000 2 1211 580 119 ARG HD3 H 3.060 0.000 2 1212 580 119 ARG C C 175.943 0.005 1 1213 580 119 ARG CA C 55.986 0.046 1 1214 580 119 ARG CB C 30.798 0.047 1 1215 580 119 ARG CG C 27.018 0.037 1 1216 580 119 ARG CD C 43.368 0.012 1 1217 580 119 ARG N N 124.649 0.009 1 1218 581 120 ASP H H 8.213 0.001 1 1219 581 120 ASP HA H 4.434 0.003 1 1220 581 120 ASP HB2 H 2.529 0.004 2 1221 581 120 ASP HB3 H 2.529 0.004 2 1222 581 120 ASP C C 175.974 0.035 1 1223 581 120 ASP CA C 54.627 0.037 1 1224 581 120 ASP CB C 41.042 0.030 1 1225 581 120 ASP N N 121.104 0.062 1 1226 582 121 HIS H H 8.119 0.003 1 1227 582 121 HIS HA H 4.510 0.006 1 1228 582 121 HIS HB2 H 3.074 0.000 2 1229 582 121 HIS HB3 H 3.014 0.000 2 1230 582 121 HIS HD2 H 7.019 0.006 1 1231 582 121 HIS HE1 H 7.877 0.000 1 1232 582 121 HIS C C 174.978 0.129 1 1233 582 121 HIS CA C 56.193 0.100 1 1234 582 121 HIS CB C 30.352 0.034 1 1235 582 121 HIS CD2 C 120.073 0.000 1 1236 582 121 HIS CE1 C 138.410 0.000 1 1237 582 121 HIS N N 118.725 0.016 1 1238 583 122 GLU H H 8.267 0.000 1 1239 583 122 GLU HA H 4.177 0.006 1 1240 583 122 GLU HB2 H 1.907 0.000 2 1241 583 122 GLU HB3 H 1.907 0.000 2 1242 583 122 GLU HG2 H 2.111 0.000 2 1243 583 122 GLU HG3 H 2.111 0.000 2 1244 583 122 GLU C C 176.471 0.009 1 1245 583 122 GLU CA C 56.504 0.018 1 1246 583 122 GLU CB C 30.406 0.099 1 1247 583 122 GLU CG C 36.441 0.000 1 1248 583 122 GLU N N 121.841 0.050 1 1249 584 123 GLU H H 8.448 0.003 1 1250 584 123 GLU HA H 4.172 0.008 1 1251 584 123 GLU HB2 H 1.935 0.001 2 1252 584 123 GLU HB3 H 1.935 0.001 2 1253 584 123 GLU HG2 H 2.194 0.003 2 1254 584 123 GLU HG3 H 2.194 0.003 2 1255 584 123 GLU C C 177.111 0.006 1 1256 584 123 GLU CA C 56.933 0.112 1 1257 584 123 GLU CB C 30.106 0.045 1 1258 584 123 GLU CG C 36.317 0.017 1 1259 584 123 GLU N N 122.086 0.095 1 1260 585 124 GLY H H 8.378 0.012 1 1261 585 124 GLY HA2 H 3.835 0.014 2 1262 585 124 GLY HA3 H 3.835 0.014 2 1263 585 124 GLY C C 173.956 0.013 1 1264 585 124 GLY CA C 45.294 0.020 1 1265 585 124 GLY N N 110.111 0.052 1 1266 586 125 ALA H H 8.069 0.006 1 1267 586 125 ALA HA H 4.229 0.007 1 1268 586 125 ALA HB H 1.282 0.016 1 1269 586 125 ALA C C 178.119 0.021 1 1270 586 125 ALA CA C 52.536 0.086 1 1271 586 125 ALA CB C 19.295 0.051 1 1272 586 125 ALA N N 123.394 0.055 1 1273 587 126 GLY H H 8.331 0.004 1 1274 587 126 GLY HA2 H 3.838 0.007 2 1275 587 126 GLY HA3 H 3.838 0.007 2 1276 587 126 GLY C C 174.417 0.012 1 1277 587 126 GLY CA C 45.298 0.025 1 1278 587 126 GLY N N 107.806 0.056 1 1279 588 127 GLY H H 8.091 0.005 1 1280 588 127 GLY HA2 H 3.796 0.008 2 1281 588 127 GLY HA3 H 3.796 0.008 2 1282 588 127 GLY C C 173.061 0.012 1 1283 588 127 GLY CA C 45.217 0.039 1 1284 588 127 GLY N N 108.864 0.015 1 1285 589 128 LEU H H 7.650 0.006 1 1286 589 128 LEU HA H 4.097 0.006 1 1287 589 128 LEU HB2 H 1.487 0.003 2 1288 589 128 LEU HB3 H 1.487 0.003 2 1289 589 128 LEU HG H 1.495 0.003 1 1290 589 128 LEU HD1 H 0.807 0.001 2 1291 589 128 LEU HD2 H 0.769 0.001 2 1292 589 128 LEU C C 178.126 0.000 1 1293 589 128 LEU CA C 56.668 0.025 1 1294 589 128 LEU CB C 43.329 0.038 1 1295 589 128 LEU CG C 27.186 0.037 1 1296 589 128 LEU CD1 C 25.252 0.044 1 1297 589 128 LEU CD2 C 23.570 0.035 1 1298 589 128 LEU N N 126.764 0.048 1 stop_ save_