data_7421 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; STRUCTURE OF CCP MODULE 7 OF COMPLEMENT FACTOR H- THE AMD NOT AT RISK VARIENT (402Y) ; _BMRB_accession_number 7421 _BMRB_flat_file_name bmr7421.str _Entry_type original _Submission_date 2008-03-06 _Accession_date 2008-03-06 _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 Herbert A. P. . 2 Deakin J. A. . 3 Schmidt C. Q. . 4 Blaum B. S. . 5 Egan C. . . 6 Ferreira V. . . 7 Pangburn M. K. . 8 Lyon M. . . 9 Uhrin D. . . 10 Barlow P. N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 390 "13C chemical shifts" 282 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-08 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 7420 'COMPLEMENT FACTOR H' stop_ _Original_release_date 2008-08-08 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure Shows Glycosaminoglycan- and Protein-Recognition Site in Factor H is Perturbed by Age-Related Macular Degeneration-Linked single nucleotide polymorphism' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17360715 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Herbert A. P. . 2 Deakin J. A. . 3 Schmidt C. Q. . 4 Blaum B. S. . 5 Egan C. . . 6 Ferreira V. . . 7 Pangburn M. K. . 8 Lyon M. . . 9 Uhrin D. . . 10 Barlow P. N. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 282 _Journal_issue 26 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18960 _Page_last 18968 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'COMPLEMENT FACTOR H' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'COMPLEMENT FACTOR H' $COMPLEMENT_FACTOR_H 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_COMPLEMENT_FACTOR_H _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common COMPLEMENT_FACTOR_H _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 65 _Mol_residue_sequence ; EAAGLRKCYFPYLENGYNQN YGRKFVQGKSIDVACHPGYA LPKAQTTVTCMENGWSPTPR CIRVK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 382 GLU 2 383 ALA 3 384 ALA 4 385 GLY 5 386 LEU 6 387 ARG 7 388 LYS 8 389 CYS 9 390 TYR 10 391 PHE 11 392 PRO 12 393 TYR 13 394 LEU 14 395 GLU 15 396 ASN 16 397 GLY 17 398 TYR 18 399 ASN 19 400 GLN 20 401 ASN 21 402 TYR 22 403 GLY 23 404 ARG 24 405 LYS 25 406 PHE 26 407 VAL 27 408 GLN 28 409 GLY 29 410 LYS 30 411 SER 31 412 ILE 32 413 ASP 33 414 VAL 34 415 ALA 35 416 CYS 36 417 HIS 37 418 PRO 38 419 GLY 39 420 TYR 40 421 ALA 41 422 LEU 42 423 PRO 43 424 LYS 44 425 ALA 45 426 GLN 46 427 THR 47 428 THR 48 429 VAL 49 430 THR 50 431 CYS 51 432 MET 52 433 GLU 53 434 ASN 54 435 GLY 55 436 TRP 56 437 SER 57 438 PRO 58 439 THR 59 440 PRO 60 441 ARG 61 442 CYS 62 443 ILE 63 444 ARG 64 445 VAL 65 446 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 7420 COMPLEMENT_FACTOR_H 100.00 65 98.46 100.00 2.96e-40 PDB 2IC4 "Solution Structure Of The His402 Allotype Of The Factor H Scr6-Scr7-Scr8 Fragment" 93.85 187 100.00 100.00 1.33e-36 PDB 2JGW "Structure Of Ccp Module 7 Of Complement Factor H - The Amd At Risk Varient (402h)" 92.31 61 98.33 100.00 1.44e-36 PDB 2JGX "Structure Of Ccp Module 7 Of Complement Factor H - The Amd Not At Risk Varient (402y)" 92.31 61 100.00 100.00 4.17e-37 PDB 2UWN "Crystal Structure Of Human Complement Factor H, Scr Domains 6-8 (h402 Risk Variant), In Complex With Ligand" 93.85 187 98.36 100.00 5.98e-36 PDB 2W80 "Structure Of A Complex Between Neisseria Meningitidis Factor H Binding Protein And Ccps 6-7 Of Human Complement Factor H" 89.23 123 98.28 100.00 5.29e-34 PDB 2W81 "Structure Of A Complex Between Neisseria Meningitidis Factor H Binding Protein And Ccps 6-7 Of Human Complement Factor H" 89.23 123 98.28 100.00 5.29e-34 PDB 4AYD "Structure Of A Complex Between Ccps 6 And 7 Of Human Complement Factor H And Neisseria Meningitidis Fhbp Variant 1 R106a Mutant" 89.23 125 98.28 100.00 5.24e-34 PDB 4AYE "Structure Of A Complex Between Ccps 6 And 7 Of Human Complement Factor H And Neisseria Meningitidis Fhbp Variant 1 E283ae304a M" 89.23 125 98.28 100.00 5.24e-34 PDB 4AYI "Structure Of A Complex Between Ccps 6 And 7 Of Human Complement Factor H And Neisseria Meningitidis Fhbp Variant 3 Wild Type" 89.23 125 98.28 100.00 5.24e-34 PDB 4AYM "Structure Of A Complex Between Ccps 6 And 7 Of Human Complement Factor H And Neisseria Meningitidis Fhbp Variant 3 P106a Mutant" 89.23 125 98.28 100.00 5.24e-34 EMBL CAA30403 "complement factor H [Homo sapiens]" 92.31 449 100.00 100.00 1.14e-33 EMBL CAB41739 "unnamed protein product [Homo sapiens]" 92.31 397 100.00 100.00 8.38e-34 GB AAA52013 "complement protein H, partial [Homo sapiens]" 92.31 224 100.00 100.00 6.61e-35 GB AAH37285 "Complement factor H [Homo sapiens]" 92.31 449 100.00 100.00 1.14e-33 GB AAI10644 "Complement factor H [Homo sapiens]" 92.31 449 100.00 100.00 1.14e-33 GB ADZ15369 "complement factor H [synthetic construct]" 92.31 449 100.00 100.00 1.14e-33 GB AHH32464 "complement factor H, partial [Homo sapiens]" 89.23 58 100.00 100.00 1.28e-35 REF NP_001014975 "complement factor H isoform b precursor [Homo sapiens]" 92.31 449 98.33 100.00 4.15e-33 REF XP_004028137 "PREDICTED: complement factor H-like [Gorilla gorilla gorilla]" 92.31 396 100.00 100.00 7.96e-34 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $COMPLEMENT_FACTOR_H Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $COMPLEMENT_FACTOR_H 'recombinant technology' . PICHIA PASTORIS KM71H PPICZALPHAB stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '10% WATER/90% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $COMPLEMENT_FACTOR_H . mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE,SIMONSON,WARREN' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CCPNMR_ANALYSIS _Saveframe_category software _Name ANALYSIS _Version ANALYSIS loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model OTHER _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCANH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $sample save_ save_H_CCONH_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'H_CCONH TOCSY' _Sample_label $sample save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample save_ save_15N_EDITED_TOCSY_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N EDITED TOCSY HSQC' _Sample_label $sample save_ save_13C_EDITED_NOESY_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '13C EDITED NOESY HSQC' _Sample_label $sample save_ save_15N_EDITED_NOESY_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N EDITED NOESY HSQC' _Sample_label $sample save_ save_HCCH_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH TOCSY' _Sample_label $sample save_ save_HBCBCGCDCEHE_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDCEHE _Sample_label $sample save_ save_HBCBCGCDHD_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _Sample_label $sample save_ save_C_CCONH_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'C_CCONH TOCSY' _Sample_label $sample 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' 20 . mM pH 5.2 . pH pressure 1.0 . atm temperature 298.0 . 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 . C 13 . ppm . . . . . . . H 1 . ppm . . . . . . . N 15 . ppm . . . . . . 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 CBCANH 'H_CCONH TOCSY' HNCO '15N EDITED TOCSY HSQC' '13C EDITED NOESY HSQC' '15N EDITED NOESY HSQC' 'HCCH TOCSY' HBCBCGCDCEHE HBCBCGCDHD 'C_CCONH TOCSY' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'COMPLEMENT FACTOR H' _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 1 382 1 GLU HA H 4.010 0.004 1 2 382 1 GLU HB2 H 2.080 0.000 1 3 382 1 GLU HB3 H 2.080 0.000 1 4 382 1 GLU HG2 H 2.343 0.001 1 5 382 1 GLU HG3 H 2.343 0.001 1 6 382 1 GLU C C 172.379 0.002 1 7 382 1 GLU CA C 55.479 0.021 1 8 382 1 GLU CB C 30.327 0.059 1 9 382 1 GLU CG C 35.541 0.015 1 10 383 2 ALA H H 8.755 0.003 1 11 383 2 ALA HA H 4.313 0.005 1 12 383 2 ALA HB H 1.384 0.002 1 13 383 2 ALA C C 177.240 0.000 1 14 383 2 ALA CA C 52.516 0.026 1 15 383 2 ALA CB C 19.065 0.037 1 16 383 2 ALA N N 126.639 0.031 1 17 384 3 ALA H H 8.493 0.003 1 18 384 3 ALA HA H 4.235 0.004 1 19 384 3 ALA HB H 1.383 0.002 1 20 384 3 ALA C C 178.478 0.001 1 21 384 3 ALA CA C 52.963 0.062 1 22 384 3 ALA CB C 19.126 0.052 1 23 384 3 ALA N N 124.325 0.016 1 24 385 4 GLY H H 8.376 0.003 1 25 385 4 GLY HA2 H 3.906 0.008 2 26 385 4 GLY HA3 H 3.878 0.010 2 27 385 4 GLY C C 174.049 0.001 1 28 385 4 GLY CA C 45.317 0.011 1 29 385 4 GLY N N 107.394 0.015 1 30 386 5 LEU H H 7.886 0.003 1 31 386 5 LEU HA H 4.307 0.003 1 32 386 5 LEU HB2 H 1.506 0.022 2 33 386 5 LEU HB3 H 1.611 0.008 2 34 386 5 LEU HD1 H 0.899 0.008 2 35 386 5 LEU HD2 H 0.825 0.013 2 36 386 5 LEU HG H 1.601 0.006 1 37 386 5 LEU C C 177.436 0.000 1 38 386 5 LEU CA C 54.851 0.030 1 39 386 5 LEU CB C 42.696 0.032 1 40 386 5 LEU CD1 C 25.259 0.048 2 41 386 5 LEU CD2 C 23.144 0.028 2 42 386 5 LEU CG C 26.880 0.014 1 43 386 5 LEU N N 120.708 0.007 1 44 387 6 ARG H H 8.293 0.006 1 45 387 6 ARG HA H 4.196 0.006 1 46 387 6 ARG HB2 H 1.767 0.009 1 47 387 6 ARG HB3 H 1.767 0.009 1 48 387 6 ARG HD2 H 3.185 0.002 1 49 387 6 ARG HD3 H 3.185 0.002 1 50 387 6 ARG HE H 6.990 0.004 1 51 387 6 ARG HG2 H 1.659 0.005 2 52 387 6 ARG HG3 H 1.617 0.024 2 53 387 6 ARG C C 175.416 0.000 1 54 387 6 ARG CA C 56.477 0.028 1 55 387 6 ARG CB C 30.568 0.043 1 56 387 6 ARG CD C 43.234 0.040 1 57 387 6 ARG CG C 27.251 0.028 1 58 387 6 ARG CZ C 170.994 0.005 1 59 387 6 ARG N N 122.791 0.057 1 60 387 6 ARG NE N 84.965 0.011 1 61 388 7 LYS H H 8.202 0.003 1 62 388 7 LYS HA H 4.918 0.003 1 63 388 7 LYS HB2 H 1.515 0.017 2 64 388 7 LYS HB3 H 1.448 0.032 2 65 388 7 LYS HD2 H 1.488 0.006 1 66 388 7 LYS HD3 H 1.488 0.006 1 67 388 7 LYS HE2 H 2.909 0.004 1 68 388 7 LYS HE3 H 2.909 0.004 1 69 388 7 LYS HG2 H 1.244 0.009 1 70 388 7 LYS HG3 H 1.244 0.009 1 71 388 7 LYS C C 176.437 0.000 1 72 388 7 LYS CA C 54.917 0.037 1 73 388 7 LYS CB C 35.270 0.046 1 74 388 7 LYS CD C 29.523 0.050 1 75 388 7 LYS CE C 42.264 0.013 1 76 388 7 LYS CG C 25.443 0.018 1 77 388 7 LYS N N 120.567 0.025 1 78 389 8 CYS H H 9.089 0.005 1 79 389 8 CYS HA H 4.604 0.009 1 80 389 8 CYS HB2 H 1.736 0.015 2 81 389 8 CYS HB3 H 1.718 0.015 2 82 389 8 CYS C C 173.506 0.008 1 83 389 8 CYS CA C 56.265 0.060 1 84 389 8 CYS CB C 41.391 0.040 1 85 389 8 CYS N N 117.810 0.013 1 86 390 9 TYR H H 9.029 0.004 1 87 390 9 TYR HA H 5.207 0.003 1 88 390 9 TYR HB2 H 2.901 0.003 1 89 390 9 TYR HB3 H 2.901 0.003 1 90 390 9 TYR HD1 H 6.976 0.002 1 91 390 9 TYR HD2 H 6.976 0.002 1 92 390 9 TYR HE1 H 6.777 0.002 1 93 390 9 TYR HE2 H 6.777 0.002 1 94 390 9 TYR C C 177.271 0.000 1 95 390 9 TYR CA C 57.015 0.104 1 96 390 9 TYR CB C 39.772 0.046 1 97 390 9 TYR CD1 C 133.234 0.027 1 98 390 9 TYR CD2 C 133.234 0.027 1 99 390 9 TYR CE1 C 118.158 0.030 1 100 390 9 TYR CE2 C 118.158 0.030 1 101 390 9 TYR N N 123.968 0.035 1 102 391 10 PHE H H 9.703 0.003 1 103 391 10 PHE HA H 4.600 0.002 1 104 391 10 PHE HB2 H 3.026 0.002 2 105 391 10 PHE HB3 H 3.969 0.002 2 106 391 10 PHE HD1 H 6.739 0.003 1 107 391 10 PHE HD2 H 6.739 0.003 1 108 391 10 PHE HE1 H 6.690 0.003 1 109 391 10 PHE HE2 H 6.690 0.003 1 110 391 10 PHE HZ H 6.773 0.003 1 111 391 10 PHE CA C 58.142 0.011 1 112 391 10 PHE CB C 39.576 0.042 1 113 391 10 PHE CD1 C 132.097 0.062 1 114 391 10 PHE CD2 C 132.097 0.062 1 115 391 10 PHE CE1 C 131.041 0.074 1 116 391 10 PHE CE2 C 131.041 0.074 1 117 391 10 PHE CZ C 127.970 0.039 1 118 391 10 PHE N N 104.658 0.023 1 119 392 11 PRO HA H 4.851 0.002 1 120 392 11 PRO HB2 H 2.211 0.010 2 121 392 11 PRO HB3 H 2.186 0.010 2 122 392 11 PRO HD2 H 1.543 0.003 2 123 392 11 PRO HD3 H 3.443 0.003 2 124 392 11 PRO HG2 H 1.208 0.002 2 125 392 11 PRO HG3 H 1.758 0.003 2 126 392 11 PRO C C 174.550 0.000 1 127 392 11 PRO CA C 62.793 0.036 1 128 392 11 PRO CB C 33.157 0.047 1 129 392 11 PRO CD C 49.286 0.053 1 130 392 11 PRO CG C 26.136 0.023 1 131 393 12 TYR H H 8.662 0.004 1 132 393 12 TYR HA H 3.644 0.003 1 133 393 12 TYR HB2 H 2.521 0.040 2 134 393 12 TYR HB3 H 2.505 0.039 2 135 393 12 TYR HD1 H 6.307 0.002 1 136 393 12 TYR HD2 H 6.307 0.002 1 137 393 12 TYR HE1 H 6.533 0.002 1 138 393 12 TYR HE2 H 6.533 0.002 1 139 393 12 TYR C C 174.843 0.003 1 140 393 12 TYR CA C 59.631 0.058 1 141 393 12 TYR CB C 38.449 0.060 1 142 393 12 TYR CD1 C 132.686 0.031 1 143 393 12 TYR CD2 C 132.686 0.031 1 144 393 12 TYR CE1 C 118.090 0.057 1 145 393 12 TYR CE2 C 118.090 0.057 1 146 393 12 TYR N N 119.068 0.026 1 147 394 13 LEU H H 8.703 0.003 1 148 394 13 LEU HA H 4.292 0.003 1 149 394 13 LEU HB2 H 0.699 0.018 2 150 394 13 LEU HB3 H 1.216 0.004 2 151 394 13 LEU HD1 H 0.448 0.003 2 152 394 13 LEU HD2 H 0.763 0.009 2 153 394 13 LEU HG H 1.450 0.011 1 154 394 13 LEU C C 175.612 0.000 1 155 394 13 LEU CA C 52.422 0.033 1 156 394 13 LEU CB C 42.815 0.040 1 157 394 13 LEU CD1 C 23.870 0.040 2 158 394 13 LEU CD2 C 26.188 0.069 2 159 394 13 LEU CG C 25.862 0.105 1 160 394 13 LEU N N 129.054 0.011 1 161 395 14 GLU H H 8.284 0.005 1 162 395 14 GLU HA H 3.913 0.002 1 163 395 14 GLU HB2 H 1.865 0.012 2 164 395 14 GLU HB3 H 1.845 0.012 2 165 395 14 GLU HG2 H 2.281 0.008 2 166 395 14 GLU HG3 H 2.283 0.010 2 167 395 14 GLU CA C 57.560 0.039 1 168 395 14 GLU CB C 29.280 0.021 1 169 395 14 GLU CG C 36.009 0.058 1 170 395 14 GLU N N 127.131 0.022 1 171 396 15 ASN HD21 H 6.917 0.002 2 172 396 15 ASN HD22 H 7.535 0.000 2 173 396 15 ASN ND2 N 116.751 0.021 1 174 397 16 GLY HA2 H 3.324 0.002 2 175 397 16 GLY HA3 H 4.036 0.003 2 176 397 16 GLY C C 170.059 0.000 1 177 397 16 GLY CA C 44.831 0.029 1 178 398 17 TYR H H 7.889 0.004 1 179 398 17 TYR HA H 4.680 0.001 1 180 398 17 TYR HB2 H 2.805 0.003 2 181 398 17 TYR HB3 H 3.390 0.003 2 182 398 17 TYR HD1 H 7.101 0.002 1 183 398 17 TYR HD2 H 7.101 0.002 1 184 398 17 TYR HE1 H 6.831 0.002 1 185 398 17 TYR HE2 H 6.831 0.002 1 186 398 17 TYR C C 177.669 0.000 1 187 398 17 TYR CA C 58.765 0.040 1 188 398 17 TYR CB C 38.004 0.060 1 189 398 17 TYR CD1 C 133.571 0.029 1 190 398 17 TYR CD2 C 133.571 0.029 1 191 398 17 TYR CE1 C 118.616 0.021 1 192 398 17 TYR CE2 C 118.616 0.021 1 193 398 17 TYR N N 116.477 0.015 1 194 399 18 ASN H H 8.849 0.003 1 195 399 18 ASN HA H 5.006 0.002 1 196 399 18 ASN HB2 H 2.501 0.004 2 197 399 18 ASN HB3 H 3.105 0.005 2 198 399 18 ASN HD21 H 6.384 0.003 2 199 399 18 ASN HD22 H 7.449 0.001 2 200 399 18 ASN C C 176.351 0.021 1 201 399 18 ASN CA C 55.986 0.025 1 202 399 18 ASN CB C 39.727 0.067 1 203 399 18 ASN N N 121.180 0.021 1 204 399 18 ASN ND2 N 119.352 0.026 1 205 400 19 GLN H H 8.921 0.004 1 206 400 19 GLN HA H 4.189 0.002 1 207 400 19 GLN HB2 H 2.064 0.012 2 208 400 19 GLN HB3 H 1.993 0.008 2 209 400 19 GLN HE21 H 6.560 0.001 2 210 400 19 GLN HE22 H 7.389 0.001 2 211 400 19 GLN HG2 H 2.325 0.017 2 212 400 19 GLN HG3 H 2.419 0.027 2 213 400 19 GLN C C 177.086 0.002 1 214 400 19 GLN CA C 59.626 0.024 1 215 400 19 GLN CB C 27.792 0.060 1 216 400 19 GLN CG C 33.312 0.035 1 217 400 19 GLN N N 121.047 0.026 1 218 400 19 GLN NE2 N 110.902 0.009 1 219 401 20 ASN H H 9.028 0.004 1 220 401 20 ASN HA H 4.859 0.003 1 221 401 20 ASN HB2 H 1.892 0.002 2 222 401 20 ASN HB3 H 2.376 0.001 2 223 401 20 ASN HD21 H 7.012 0.001 2 224 401 20 ASN HD22 H 7.149 0.001 2 225 401 20 ASN C C 174.067 0.003 1 226 401 20 ASN CA C 52.953 0.033 1 227 401 20 ASN CB C 39.164 0.100 1 228 401 20 ASN N N 114.777 0.019 1 229 401 20 ASN ND2 N 116.515 0.011 1 230 402 21 TYR H H 7.348 0.003 1 231 402 21 TYR HA H 4.363 0.002 1 232 402 21 TYR HB2 H 2.994 0.003 2 233 402 21 TYR HB3 H 3.638 0.002 2 234 402 21 TYR HD1 H 7.226 0.003 1 235 402 21 TYR HD2 H 7.226 0.003 1 236 402 21 TYR HE1 H 6.976 0.002 1 237 402 21 TYR HE2 H 6.976 0.002 1 238 402 21 TYR C C 177.347 0.004 1 239 402 21 TYR CA C 59.097 0.047 1 240 402 21 TYR CB C 38.067 0.048 1 241 402 21 TYR CD1 C 132.789 0.030 1 242 402 21 TYR CD2 C 132.789 0.030 1 243 402 21 TYR CE1 C 118.527 0.042 1 244 402 21 TYR CE2 C 118.527 0.042 1 245 402 21 TYR N N 121.030 0.006 1 246 403 22 GLY H H 8.996 0.004 1 247 403 22 GLY HA2 H 3.272 0.004 2 248 403 22 GLY HA3 H 3.735 0.005 2 249 403 22 GLY C C 173.948 0.007 1 250 403 22 GLY CA C 44.793 0.059 1 251 403 22 GLY N N 118.464 0.008 1 252 404 23 ARG H H 8.004 0.003 1 253 404 23 ARG HA H 4.165 0.005 1 254 404 23 ARG HB2 H 1.595 0.002 2 255 404 23 ARG HB3 H 1.876 0.004 2 256 404 23 ARG HD2 H 3.089 0.003 2 257 404 23 ARG HD3 H 3.287 0.002 2 258 404 23 ARG HE H 7.051 0.002 1 259 404 23 ARG HG2 H 1.385 0.004 2 260 404 23 ARG HG3 H 1.648 0.003 2 261 404 23 ARG C C 174.834 0.002 1 262 404 23 ARG CA C 56.651 0.029 1 263 404 23 ARG CB C 31.802 0.047 1 264 404 23 ARG CD C 43.826 0.033 1 265 404 23 ARG CG C 27.713 0.041 1 266 404 23 ARG CZ C 171.026 0.018 1 267 404 23 ARG N N 120.491 0.042 1 268 404 23 ARG NE N 84.732 0.091 1 269 405 24 LYS H H 8.149 0.003 1 270 405 24 LYS HA H 4.927 0.003 1 271 405 24 LYS HB2 H 1.390 0.001 2 272 405 24 LYS HB3 H 1.495 0.004 2 273 405 24 LYS HD2 H 1.562 0.008 1 274 405 24 LYS HD3 H 1.562 0.008 1 275 405 24 LYS HE2 H 2.898 0.002 1 276 405 24 LYS HE3 H 2.898 0.002 1 277 405 24 LYS HG2 H 1.016 0.003 2 278 405 24 LYS HG3 H 1.166 0.003 2 279 405 24 LYS C C 175.823 0.001 1 280 405 24 LYS CA C 55.003 0.023 1 281 405 24 LYS CB C 34.459 0.041 1 282 405 24 LYS CD C 29.633 0.026 1 283 405 24 LYS CE C 41.858 0.033 1 284 405 24 LYS CG C 24.965 0.017 1 285 405 24 LYS N N 120.986 0.032 1 286 406 25 PHE H H 8.854 0.003 1 287 406 25 PHE HA H 4.815 0.001 1 288 406 25 PHE HB2 H 2.728 0.003 2 289 406 25 PHE HB3 H 3.005 0.004 2 290 406 25 PHE HD1 H 7.452 0.002 1 291 406 25 PHE HD2 H 7.452 0.002 1 292 406 25 PHE HE1 H 7.293 0.002 1 293 406 25 PHE HE2 H 7.293 0.002 1 294 406 25 PHE HZ H 7.006 0.002 1 295 406 25 PHE C C 174.078 0.007 1 296 406 25 PHE CA C 56.611 0.034 1 297 406 25 PHE CB C 43.261 0.038 1 298 406 25 PHE CD1 C 131.963 0.056 1 299 406 25 PHE CD2 C 131.963 0.056 1 300 406 25 PHE CE1 C 131.386 0.059 1 301 406 25 PHE CE2 C 131.386 0.059 1 302 406 25 PHE CZ C 129.350 0.061 1 303 406 25 PHE N N 122.947 0.013 1 304 407 26 VAL H H 8.098 0.003 1 305 407 26 VAL HA H 4.360 0.003 1 306 407 26 VAL HB H 2.152 0.002 1 307 407 26 VAL HG1 H 0.998 0.007 2 308 407 26 VAL HG2 H 0.953 0.010 2 309 407 26 VAL C C 175.027 0.003 1 310 407 26 VAL CA C 61.033 0.017 1 311 407 26 VAL CB C 33.360 0.078 1 312 407 26 VAL N N 116.265 0.016 1 313 408 27 GLN H H 7.935 0.003 1 314 408 27 GLN HA H 3.541 0.004 1 315 408 27 GLN HB2 H 1.865 0.026 2 316 408 27 GLN HB3 H 1.876 0.025 2 317 408 27 GLN HE21 H 6.975 0.001 2 318 408 27 GLN HE22 H 7.536 0.001 2 319 408 27 GLN HG2 H 2.135 0.035 2 320 408 27 GLN HG3 H 2.101 0.040 2 321 408 27 GLN C C 176.558 0.002 1 322 408 27 GLN CA C 57.694 0.032 1 323 408 27 GLN CB C 29.133 0.101 1 324 408 27 GLN CG C 33.771 0.035 1 325 408 27 GLN N N 120.912 0.041 1 326 408 27 GLN NE2 N 111.771 0.013 1 327 409 28 GLY H H 9.409 0.004 1 328 409 28 GLY HA2 H 3.582 0.002 2 329 409 28 GLY HA3 H 4.401 0.003 2 330 409 28 GLY C C 174.663 0.000 1 331 409 28 GLY CA C 44.433 0.040 1 332 409 28 GLY N N 113.939 0.010 1 333 410 29 LYS H H 7.999 0.007 1 334 410 29 LYS HA H 4.572 0.003 1 335 410 29 LYS HB2 H 2.100 0.005 2 336 410 29 LYS HB3 H 2.210 0.008 2 337 410 29 LYS HD2 H 1.831 0.014 2 338 410 29 LYS HD3 H 1.854 0.008 2 339 410 29 LYS HE2 H 3.019 0.010 2 340 410 29 LYS HE3 H 3.043 0.011 2 341 410 29 LYS HG2 H 1.598 0.003 1 342 410 29 LYS HG3 H 1.598 0.003 1 343 410 29 LYS C C 175.619 0.001 1 344 410 29 LYS CA C 55.136 0.052 1 345 410 29 LYS CB C 33.388 0.064 1 346 410 29 LYS CD C 28.310 0.028 1 347 410 29 LYS CE C 42.406 0.022 1 348 410 29 LYS CG C 25.003 0.017 1 349 410 29 LYS N N 121.047 0.021 1 350 411 30 SER H H 8.483 0.002 1 351 411 30 SER HA H 5.736 0.002 1 352 411 30 SER HB2 H 3.644 0.018 2 353 411 30 SER HB3 H 3.720 0.016 2 354 411 30 SER C C 172.820 0.001 1 355 411 30 SER CA C 56.932 0.019 1 356 411 30 SER CB C 65.986 0.055 1 357 411 30 SER N N 117.818 0.019 1 358 412 31 ILE H H 8.919 0.005 1 359 412 31 ILE HA H 4.426 0.004 1 360 412 31 ILE HB H 1.312 0.003 1 361 412 31 ILE HD1 H 0.391 0.002 1 362 412 31 ILE HG12 H 0.818 0.002 2 363 412 31 ILE HG13 H 1.031 0.003 2 364 412 31 ILE HG2 H 0.167 0.003 1 365 412 31 ILE C C 173.041 0.002 1 366 412 31 ILE CA C 57.797 0.038 1 367 412 31 ILE CB C 41.469 0.054 1 368 412 31 ILE CD1 C 13.124 0.021 1 369 412 31 ILE CG1 C 27.557 0.030 1 370 412 31 ILE CG2 C 18.041 0.020 1 371 412 31 ILE N N 121.631 0.025 1 372 413 32 ASP H H 8.026 0.002 1 373 413 32 ASP HA H 4.960 0.003 1 374 413 32 ASP HB2 H 2.514 0.018 2 375 413 32 ASP HB3 H 2.441 0.020 2 376 413 32 ASP C C 175.445 0.001 1 377 413 32 ASP CA C 53.920 0.030 1 378 413 32 ASP CB C 40.937 0.033 1 379 413 32 ASP N N 124.363 0.013 1 380 414 33 VAL H H 8.059 0.010 1 381 414 33 VAL HA H 3.837 0.002 1 382 414 33 VAL HB H 1.741 0.003 1 383 414 33 VAL HG1 H 0.739 0.015 2 384 414 33 VAL HG2 H 0.830 0.016 2 385 414 33 VAL C C 173.694 0.008 1 386 414 33 VAL CA C 62.046 0.039 1 387 414 33 VAL CB C 33.694 0.064 1 388 414 33 VAL CG1 C 22.397 0.036 2 389 414 33 VAL CG2 C 23.601 0.024 2 390 414 33 VAL N N 121.731 0.022 1 391 415 34 ALA H H 8.887 0.003 1 392 415 34 ALA HA H 4.800 0.003 1 393 415 34 ALA HB H 1.456 0.003 1 394 415 34 ALA C C 175.664 0.006 1 395 415 34 ALA CA C 50.683 0.020 1 396 415 34 ALA CB C 20.391 0.051 1 397 415 34 ALA N N 132.039 0.037 1 398 416 35 CYS H H 8.790 0.002 1 399 416 35 CYS HA H 4.944 0.002 1 400 416 35 CYS HB2 H 2.734 0.003 2 401 416 35 CYS HB3 H 2.982 0.003 2 402 416 35 CYS C C 174.394 0.003 1 403 416 35 CYS CA C 53.295 0.062 1 404 416 35 CYS CB C 41.353 0.032 1 405 416 35 CYS N N 120.815 0.015 1 406 417 36 HIS H H 8.392 0.005 1 407 417 36 HIS HA H 4.518 0.002 1 408 417 36 HIS HB2 H 2.559 0.002 2 409 417 36 HIS HB3 H 3.114 0.001 2 410 417 36 HIS HE1 H 8.199 0.000 1 411 417 36 HIS CA C 53.159 0.035 1 412 417 36 HIS CB C 27.936 0.121 1 413 417 36 HIS CE1 C 137.518 0.000 1 414 417 36 HIS N N 119.484 0.033 1 415 418 37 PRO HA H 4.515 0.002 1 416 418 37 PRO HB2 H 1.919 0.002 2 417 418 37 PRO HB3 H 2.396 0.004 2 418 418 37 PRO HD2 H 3.528 0.003 2 419 418 37 PRO HD3 H 4.007 0.002 2 420 418 37 PRO HG2 H 2.170 0.013 2 421 418 37 PRO HG3 H 2.192 0.008 2 422 418 37 PRO C C 177.729 0.000 1 423 418 37 PRO CA C 64.550 0.051 1 424 418 37 PRO CB C 31.665 0.046 1 425 418 37 PRO CD C 50.170 0.031 1 426 418 37 PRO CG C 28.070 0.016 1 427 419 38 GLY H H 8.934 0.003 1 428 419 38 GLY HA2 H 3.519 0.003 2 429 419 38 GLY HA3 H 4.230 0.003 2 430 419 38 GLY C C 173.280 0.002 1 431 419 38 GLY CA C 44.947 0.025 1 432 419 38 GLY N N 112.634 0.013 1 433 420 39 TYR H H 8.557 0.004 1 434 420 39 TYR HA H 5.221 0.001 1 435 420 39 TYR HB2 H 2.440 0.003 2 436 420 39 TYR HB3 H 3.298 0.003 2 437 420 39 TYR HD1 H 6.694 0.002 1 438 420 39 TYR HD2 H 6.694 0.002 1 439 420 39 TYR HE1 H 6.685 0.002 1 440 420 39 TYR HE2 H 6.685 0.002 1 441 420 39 TYR C C 174.428 0.000 1 442 420 39 TYR CA C 56.694 0.059 1 443 420 39 TYR CB C 42.100 0.060 1 444 420 39 TYR CD1 C 133.105 0.046 1 445 420 39 TYR CD2 C 133.105 0.046 1 446 420 39 TYR CE1 C 118.032 0.048 1 447 420 39 TYR CE2 C 118.032 0.048 1 448 420 39 TYR N N 119.747 0.014 1 449 421 40 ALA H H 9.252 0.005 1 450 421 40 ALA HA H 4.506 0.003 1 451 421 40 ALA HB H 1.413 0.003 1 452 421 40 ALA C C 176.975 0.001 1 453 421 40 ALA CA C 52.596 0.033 1 454 421 40 ALA CB C 23.089 0.082 1 455 421 40 ALA N N 121.053 0.014 1 456 422 41 LEU H H 8.385 0.002 1 457 422 41 LEU HA H 5.160 0.002 1 458 422 41 LEU HB2 H 1.524 0.004 2 459 422 41 LEU HB3 H 1.840 0.003 2 460 422 41 LEU HD1 H 0.700 0.002 2 461 422 41 LEU HD2 H 0.741 0.003 2 462 422 41 LEU HG H 1.749 0.002 1 463 422 41 LEU CA C 54.366 0.033 1 464 422 41 LEU CB C 41.019 0.057 1 465 422 41 LEU CD1 C 25.744 0.025 2 466 422 41 LEU CD2 C 24.983 0.010 2 467 422 41 LEU CG C 28.678 0.022 1 468 422 41 LEU N N 122.229 0.014 1 469 423 42 PRO HA H 4.330 0.003 1 470 423 42 PRO HB2 H 1.861 0.032 2 471 423 42 PRO HB3 H 2.384 0.003 2 472 423 42 PRO HD2 H 3.618 0.002 2 473 423 42 PRO HD3 H 4.111 0.003 2 474 423 42 PRO HG2 H 1.940 0.027 2 475 423 42 PRO HG3 H 2.200 0.001 2 476 423 42 PRO C C 176.908 0.001 1 477 423 42 PRO CA C 63.842 0.031 1 478 423 42 PRO CB C 31.997 0.062 1 479 423 42 PRO CD C 50.553 0.038 1 480 423 42 PRO CG C 28.126 0.032 1 481 424 43 LYS H H 8.800 0.004 1 482 424 43 LYS HA H 3.965 0.003 1 483 424 43 LYS HB2 H 1.884 0.004 2 484 424 43 LYS HB3 H 2.026 0.004 2 485 424 43 LYS HD2 H 1.692 0.002 1 486 424 43 LYS HD3 H 1.692 0.002 1 487 424 43 LYS HE2 H 2.992 0.002 1 488 424 43 LYS HE3 H 2.992 0.002 1 489 424 43 LYS HG2 H 1.390 0.003 1 490 424 43 LYS HG3 H 1.390 0.003 1 491 424 43 LYS C C 175.484 0.000 1 492 424 43 LYS CA C 57.055 0.035 1 493 424 43 LYS CB C 30.276 0.053 1 494 424 43 LYS CD C 29.130 0.042 1 495 424 43 LYS CE C 42.207 0.017 1 496 424 43 LYS CG C 25.436 0.021 1 497 424 43 LYS N N 117.071 0.024 1 498 425 44 ALA H H 8.552 0.003 1 499 425 44 ALA HA H 4.004 0.002 1 500 425 44 ALA HB H 1.430 0.003 1 501 425 44 ALA C C 177.002 0.000 1 502 425 44 ALA CA C 53.142 0.027 1 503 425 44 ALA CB C 16.839 0.050 1 504 425 44 ALA N N 118.259 0.018 1 505 426 45 GLN H H 7.208 0.005 1 506 426 45 GLN HA H 4.388 0.003 1 507 426 45 GLN HB2 H 1.956 0.003 2 508 426 45 GLN HB3 H 2.235 0.003 2 509 426 45 GLN HE21 H 6.993 0.001 2 510 426 45 GLN HE22 H 7.566 0.006 2 511 426 45 GLN HG2 H 2.465 0.002 2 512 426 45 GLN HG3 H 2.465 0.002 2 513 426 45 GLN C C 175.908 0.004 1 514 426 45 GLN CA C 56.206 0.037 1 515 426 45 GLN CB C 30.103 0.045 1 516 426 45 GLN CG C 34.765 0.022 1 517 426 45 GLN N N 117.408 0.018 1 518 426 45 GLN NE2 N 112.685 0.021 1 519 427 46 THR H H 8.717 0.003 1 520 427 46 THR HA H 4.571 0.007 1 521 427 46 THR HB H 4.496 0.024 1 522 427 46 THR HG2 H 1.202 0.003 1 523 427 46 THR C C 174.198 0.014 1 524 427 46 THR CA C 62.348 0.026 1 525 427 46 THR CB C 70.188 0.114 1 526 427 46 THR CG2 C 21.707 0.006 1 527 427 46 THR N N 109.715 0.011 1 528 428 47 THR H H 7.470 0.003 1 529 428 47 THR HA H 5.101 0.004 1 530 428 47 THR HB H 3.813 0.003 1 531 428 47 THR HG2 H 1.094 0.003 1 532 428 47 THR C C 173.611 0.002 1 533 428 47 THR CA C 60.633 0.064 1 534 428 47 THR CB C 72.434 0.121 1 535 428 47 THR CG2 C 21.860 0.061 1 536 428 47 THR N N 114.968 0.015 1 537 429 48 VAL H H 8.546 0.007 1 538 429 48 VAL HA H 5.019 0.002 1 539 429 48 VAL HB H 2.186 0.004 1 540 429 48 VAL HG1 H 0.385 0.002 2 541 429 48 VAL HG2 H 0.561 0.003 2 542 429 48 VAL C C 174.984 0.003 1 543 429 48 VAL CA C 59.404 0.066 1 544 429 48 VAL CB C 34.293 0.089 1 545 429 48 VAL CG1 C 19.672 0.027 2 546 429 48 VAL CG2 C 23.102 0.025 2 547 429 48 VAL N N 113.997 0.025 1 548 430 49 THR H H 8.535 0.004 1 549 430 49 THR HA H 5.290 0.003 1 550 430 49 THR HB H 3.898 0.002 1 551 430 49 THR HG2 H 1.045 0.003 1 552 430 49 THR C C 173.825 0.004 1 553 430 49 THR CA C 61.778 0.044 1 554 430 49 THR CB C 71.716 0.087 1 555 430 49 THR CG2 C 21.339 0.045 1 556 430 49 THR N N 117.353 0.016 1 557 431 50 CYS H H 8.796 0.010 1 558 431 50 CYS HA H 3.901 0.003 1 559 431 50 CYS HB2 H 1.909 0.003 2 560 431 50 CYS HB3 H 2.641 0.001 2 561 431 50 CYS C C 172.227 0.001 1 562 431 50 CYS CA C 54.627 0.030 1 563 431 50 CYS CB C 35.238 0.056 1 564 431 50 CYS N N 127.013 0.107 1 565 432 51 MET H H 7.893 0.006 1 566 432 51 MET HA H 4.890 0.004 1 567 432 51 MET HB2 H 2.541 0.015 2 568 432 51 MET HB3 H 2.627 0.018 2 569 432 51 MET HG2 H 2.280 0.009 2 570 432 51 MET HG3 H 2.303 0.010 2 571 432 51 MET C C 176.511 0.009 1 572 432 51 MET CA C 53.529 0.025 1 573 432 51 MET CB C 32.911 0.052 1 574 432 51 MET CG C 33.158 0.049 1 575 432 51 MET N N 130.195 0.015 1 576 433 52 GLU H H 8.897 0.007 1 577 433 52 GLU HA H 3.740 0.002 1 578 433 52 GLU HB2 H 1.905 0.002 2 579 433 52 GLU HB3 H 2.028 0.002 2 580 433 52 GLU HG2 H 2.217 0.012 1 581 433 52 GLU HG3 H 2.217 0.012 1 582 433 52 GLU C C 176.676 0.002 1 583 433 52 GLU CA C 60.041 0.052 1 584 433 52 GLU CB C 29.152 0.046 1 585 433 52 GLU CG C 35.681 0.050 1 586 433 52 GLU N N 120.339 0.026 1 587 434 53 ASN H H 8.025 0.002 1 588 434 53 ASN HA H 4.874 0.001 1 589 434 53 ASN HB2 H 2.781 0.015 2 590 434 53 ASN HB3 H 2.823 0.012 2 591 434 53 ASN HD21 H 6.840 0.000 2 592 434 53 ASN HD22 H 7.566 0.006 2 593 434 53 ASN C C 174.568 0.001 1 594 434 53 ASN CA C 52.134 0.046 1 595 434 53 ASN CB C 38.350 0.103 1 596 434 53 ASN N N 112.693 0.018 1 597 434 53 ASN ND2 N 112.748 0.006 1 598 435 54 GLY H H 7.445 0.004 1 599 435 54 GLY HA2 H 3.451 0.003 2 600 435 54 GLY HA3 H 4.549 0.003 2 601 435 54 GLY C C 173.836 0.020 1 602 435 54 GLY CA C 43.676 0.019 1 603 435 54 GLY N N 107.927 0.007 1 604 436 55 TRP H H 8.094 0.004 1 605 436 55 TRP HA H 4.798 0.004 1 606 436 55 TRP HB2 H 2.931 0.003 2 607 436 55 TRP HB3 H 3.230 0.003 2 608 436 55 TRP HD1 H 7.403 0.002 1 609 436 55 TRP HE1 H 9.609 0.003 1 610 436 55 TRP HE3 H 7.170 0.002 1 611 436 55 TRP HZ2 H 7.113 0.002 1 612 436 55 TRP HZ3 H 6.782 0.003 1 613 436 55 TRP C C 177.406 0.000 1 614 436 55 TRP CA C 57.449 0.051 1 615 436 55 TRP CB C 31.778 0.057 1 616 436 55 TRP CD1 C 127.165 0.020 1 617 436 55 TRP CE3 C 121.040 0.030 1 618 436 55 TRP CZ2 C 113.710 0.057 1 619 436 55 TRP CZ3 C 123.096 0.034 1 620 436 55 TRP N N 120.632 0.053 1 621 436 55 TRP NE1 N 127.211 0.010 1 622 437 56 SER H H 9.229 0.003 1 623 437 56 SER HA H 4.781 0.001 1 624 437 56 SER HB2 H 3.717 0.012 2 625 437 56 SER HB3 H 3.840 0.004 2 626 437 56 SER CA C 55.076 0.034 1 627 437 56 SER CB C 65.824 0.060 1 628 437 56 SER N N 116.423 0.014 1 629 438 57 PRO HA H 4.992 0.001 1 630 438 57 PRO HB2 H 2.194 0.002 2 631 438 57 PRO HB3 H 2.483 0.006 2 632 438 57 PRO HD2 H 3.501 0.002 2 633 438 57 PRO HD3 H 4.195 0.003 2 634 438 57 PRO HG2 H 1.538 0.005 2 635 438 57 PRO HG3 H 1.915 0.005 2 636 438 57 PRO C C 174.012 0.002 1 637 438 57 PRO CA C 63.737 0.032 1 638 438 57 PRO CB C 34.520 0.055 1 639 438 57 PRO CD C 49.661 0.042 1 640 438 57 PRO CG C 24.959 0.022 1 641 439 58 THR H H 8.154 0.003 1 642 439 58 THR HA H 4.193 0.002 1 643 439 58 THR HB H 3.913 0.003 1 644 439 58 THR HG2 H 1.151 0.004 1 645 439 58 THR CA C 61.756 0.032 1 646 439 58 THR CB C 70.007 0.031 1 647 439 58 THR CG2 C 21.391 0.024 1 648 439 58 THR N N 113.363 0.027 1 649 440 59 PRO HA H 4.003 0.003 1 650 440 59 PRO HB2 H 1.381 0.003 2 651 440 59 PRO HB3 H 1.528 0.003 2 652 440 59 PRO HD2 H 3.446 0.002 2 653 440 59 PRO HD3 H 3.707 0.003 2 654 440 59 PRO HG2 H 0.780 0.006 2 655 440 59 PRO HG3 H 1.145 0.005 2 656 440 59 PRO C C 172.924 0.000 1 657 440 59 PRO CA C 61.974 0.026 1 658 440 59 PRO CB C 29.961 0.062 1 659 440 59 PRO CD C 50.454 0.060 1 660 440 59 PRO CG C 27.106 0.048 1 661 441 60 ARG H H 6.891 0.007 1 662 441 60 ARG HA H 4.145 0.003 1 663 441 60 ARG HB2 H 1.575 0.006 2 664 441 60 ARG HB3 H 1.694 0.002 2 665 441 60 ARG HD2 H 3.097 0.002 1 666 441 60 ARG HD3 H 3.097 0.002 1 667 441 60 ARG HE H 7.214 0.002 1 668 441 60 ARG HG2 H 1.416 0.003 1 669 441 60 ARG HG3 H 1.416 0.003 1 670 441 60 ARG CA C 55.730 0.061 1 671 441 60 ARG CB C 32.643 0.076 1 672 441 60 ARG CD C 43.699 0.013 1 673 441 60 ARG CG C 26.661 0.033 1 674 441 60 ARG CZ C 170.973 0.005 1 675 441 60 ARG N N 123.211 0.067 1 676 441 60 ARG NE N 84.662 0.017 1 677 442 61 CYS HA H 4.637 0.003 1 678 442 61 CYS HB2 H 2.514 0.003 2 679 442 61 CYS HB3 H 2.796 0.002 2 680 442 61 CYS C C 173.924 0.000 1 681 442 61 CYS CA C 54.474 0.002 1 682 442 61 CYS CB C 41.738 0.111 1 683 443 62 ILE H H 9.190 0.006 1 684 443 62 ILE HA H 4.711 0.001 1 685 443 62 ILE HB H 1.975 0.003 1 686 443 62 ILE HD1 H 0.835 0.002 1 687 443 62 ILE HG12 H 1.138 0.001 2 688 443 62 ILE HG13 H 1.428 0.000 2 689 443 62 ILE HG2 H 0.943 0.005 1 690 443 62 ILE C C 175.714 0.009 1 691 443 62 ILE CA C 59.307 0.011 1 692 443 62 ILE CB C 40.876 0.017 1 693 443 62 ILE CD1 C 13.606 0.025 1 694 443 62 ILE CG1 C 26.494 0.023 1 695 443 62 ILE CG2 C 18.058 0.025 1 696 443 62 ILE N N 122.680 0.017 1 697 444 63 ARG H H 8.741 0.002 1 698 444 63 ARG HA H 3.603 0.004 1 699 444 63 ARG HB2 H 1.479 0.004 2 700 444 63 ARG HB3 H 1.663 0.004 2 701 444 63 ARG HD2 H 2.829 0.003 1 702 444 63 ARG HD3 H 2.829 0.003 1 703 444 63 ARG HE H 7.067 0.002 1 704 444 63 ARG HG2 H 1.240 0.002 2 705 444 63 ARG HG3 H 1.349 0.007 2 706 444 63 ARG C C 176.771 0.000 1 707 444 63 ARG CA C 57.038 0.037 1 708 444 63 ARG CB C 30.195 0.027 1 709 444 63 ARG CD C 43.036 0.056 1 710 444 63 ARG CG C 27.101 0.051 1 711 444 63 ARG CZ C 170.904 0.021 1 712 444 63 ARG N N 125.835 0.028 1 713 444 63 ARG NE N 84.946 0.011 1 714 445 64 VAL H H 8.148 0.005 1 715 445 64 VAL HA H 3.994 0.002 1 716 445 64 VAL HB H 1.918 0.004 1 717 445 64 VAL HG1 H 0.740 0.017 2 718 445 64 VAL HG2 H 0.826 0.012 2 719 445 64 VAL C C 175.114 0.001 1 720 445 64 VAL CA C 62.680 0.029 1 721 445 64 VAL CB C 32.553 0.063 1 722 445 64 VAL CG1 C 20.428 0.049 2 723 445 64 VAL CG2 C 21.416 0.041 2 724 445 64 VAL N N 124.652 0.014 1 725 446 65 LYS H H 7.737 0.003 1 726 446 65 LYS HA H 4.102 0.002 1 727 446 65 LYS HB2 H 1.637 0.009 2 728 446 65 LYS HB3 H 1.726 0.007 2 729 446 65 LYS HD2 H 1.629 0.006 1 730 446 65 LYS HD3 H 1.629 0.006 1 731 446 65 LYS HE2 H 2.946 0.001 1 732 446 65 LYS HE3 H 2.946 0.001 1 733 446 65 LYS HG2 H 1.322 0.003 1 734 446 65 LYS HG3 H 1.322 0.003 1 735 446 65 LYS CA C 57.720 0.010 1 736 446 65 LYS CB C 33.983 0.041 1 737 446 65 LYS CD C 29.224 0.011 1 738 446 65 LYS CE C 42.149 0.014 1 739 446 65 LYS CG C 24.705 0.014 1 740 446 65 LYS N N 128.717 0.033 1 stop_ save_