data_5685 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C Assignments and CSI Analysis of a 18kDa Complex Formed by the Carboxyl-Terminal Domains of RAP74 and FCP1 ; _BMRB_accession_number 5685 _BMRB_flat_file_name bmr5685.str _Entry_type original _Submission_date 2003-02-03 _Accession_date 2003-02-03 _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 Nguyen Bao D. . 2 Omichinski James G. . 3 Legault Pascale . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 703 "13C chemical shifts" 572 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-12-17 original author . stop_ _Original_release_date 2003-12-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the carboxyl-terminal domain of RAP74 and NMR characterization of the FCP1-binding sites of RAP74 and human TFIIB ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12578358 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nguyen Bao D. . 2 Chen H. T. . 3 Kobor M. S. . 4 Greenblatt J. . . 5 Legault Pascale . . 6 Omichinski James G. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 42 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1460 _Page_last 1469 _Year 2003 _Details . loop_ _Keyword RAP74 FCP1 'CTD Phosphatase' transcription stop_ save_ ################################## # Molecular system description # ################################## save_system_RAP74_FCP1 _Saveframe_category molecular_system _Mol_system_name RAP74/FCP1 _Abbreviation_common 'RAP74 FCP1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RAP74 $RAP74 FCP1 $FCP1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state complex _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'CTD Phosphatase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RAP74 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RAP74 _Abbreviation_common RAP74 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; STPQPPSGKTTPNSGDVQVT EDAVRRYLTRKPMTTKDLLK KFQTKKTGLSSEQTVNVLAQ ILKRLNPERKMINDKMHFSL KE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 436 SER 2 437 THR 3 438 PRO 4 439 GLN 5 440 PRO 6 441 PRO 7 442 SER 8 443 GLY 9 444 LYS 10 445 THR 11 446 THR 12 447 PRO 13 448 ASN 14 449 SER 15 450 GLY 16 451 ASP 17 452 VAL 18 453 GLN 19 454 VAL 20 455 THR 21 456 GLU 22 457 ASP 23 458 ALA 24 459 VAL 25 460 ARG 26 461 ARG 27 462 TYR 28 463 LEU 29 464 THR 30 465 ARG 31 466 LYS 32 467 PRO 33 468 MET 34 469 THR 35 470 THR 36 471 LYS 37 472 ASP 38 473 LEU 39 474 LEU 40 475 LYS 41 476 LYS 42 477 PHE 43 478 GLN 44 479 THR 45 480 LYS 46 481 LYS 47 482 THR 48 483 GLY 49 484 LEU 50 485 SER 51 486 SER 52 487 GLU 53 488 GLN 54 489 THR 55 490 VAL 56 491 ASN 57 492 VAL 58 493 LEU 59 494 ALA 60 495 GLN 61 496 ILE 62 497 LEU 63 498 LYS 64 499 ARG 65 500 LEU 66 501 ASN 67 502 PRO 68 503 GLU 69 504 ARG 70 505 LYS 71 506 MET 72 507 ILE 73 508 ASN 74 509 ASP 75 510 LYS 76 511 MET 77 512 HIS 78 513 PHE 79 514 SER 80 515 LEU 81 516 LYS 82 517 GLU 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 16296 FCP1 100.00 85 100.00 100.00 9.93e-47 PDB 1ONV "Nmr Structure Of A Complex Containing The Tfiif Subunit Rap74 And The Rnap Ii Ctd Phosphatase Fcp1" 100.00 83 100.00 100.00 5.75e-47 GB AAC64549 "serine phosphatase FCP1a [Homo sapiens]" 100.00 842 100.00 100.00 1.54e-42 GB AAH52576 "CTDP1 protein, partial [Homo sapiens]" 100.00 874 100.00 100.00 1.65e-42 GB EAW66628 "CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) phosphatase, subunit 1, isoform CRA_a [Homo sapiens]" 100.00 961 100.00 100.00 2.31e-42 REF NP_001189433 "RNA polymerase II subunit A C-terminal domain phosphatase isoform 3 [Homo sapiens]" 100.00 842 100.00 100.00 1.53e-42 REF NP_004706 "RNA polymerase II subunit A C-terminal domain phosphatase isoform 1 [Homo sapiens]" 100.00 961 100.00 100.00 2.31e-42 REF XP_002828379 "PREDICTED: LOW QUALITY PROTEIN: RNA polymerase II subunit A C-terminal domain phosphatase [Pongo abelii]" 100.00 962 100.00 100.00 2.69e-42 REF XP_003805250 "PREDICTED: LOW QUALITY PROTEIN: RNA polymerase II subunit A C-terminal domain phosphatase [Pan paniscus]" 100.00 961 98.80 98.80 1.36e-41 REF XP_004059621 "PREDICTED: RNA polymerase II subunit A C-terminal domain phosphatase isoform 1 [Gorilla gorilla gorilla]" 100.00 842 100.00 100.00 1.51e-42 SP Q9Y5B0 "RecName: Full=RNA polymerase II subunit A C-terminal domain phosphatase; AltName: Full=TFIIF-associating CTD phosphatase [Homo " 100.00 961 100.00 100.00 2.31e-42 stop_ save_ save_FCP1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FCP1 _Abbreviation_common FCP1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 83 _Mol_residue_sequence ; PEEQEEEPQPRKPGTRRERT LGAPASSERSAAGGRGPRGH KRKLNEEDAASESSRESSNE DEGSSSEADEMAKALEAELN DLM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 879 PRO 2 880 GLU 3 881 GLU 4 882 GLN 5 883 GLU 6 884 GLU 7 885 GLU 8 886 PRO 9 887 GLN 10 888 PRO 11 889 ARG 12 890 LYS 13 891 PRO 14 892 GLY 15 893 THR 16 894 ARG 17 895 ARG 18 896 GLU 19 897 ARG 20 898 THR 21 899 LEU 22 900 GLY 23 901 ALA 24 902 PRO 25 903 ALA 26 904 SER 27 905 SER 28 906 GLU 29 907 ARG 30 908 SER 31 909 ALA 32 910 ALA 33 911 GLY 34 912 GLY 35 913 ARG 36 914 GLY 37 915 PRO 38 916 ARG 39 917 GLY 40 918 HIS 41 919 LYS 42 920 ARG 43 921 LYS 44 922 LEU 45 923 ASN 46 924 GLU 47 925 GLU 48 926 ASP 49 927 ALA 50 928 ALA 51 929 SER 52 930 GLU 53 931 SER 54 932 SER 55 933 ARG 56 934 GLU 57 935 SER 58 936 SER 59 937 ASN 60 938 GLU 61 939 ASP 62 940 GLU 63 941 GLY 64 942 SER 65 943 SER 66 944 SER 67 945 GLU 68 946 ALA 69 947 ASP 70 948 GLU 71 949 MET 72 950 ALA 73 951 LYS 74 952 ALA 75 953 LEU 76 954 GLU 77 955 ALA 78 956 GLU 79 957 LEU 80 958 ASN 81 959 ASP 82 960 LEU 83 961 MET stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 REF XP_001144243 'PREDICTED: CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) phosphatase, subunit 1 isoform 2 [Pan troglodytes]' 100.00 962 98.80 98.80 4.06e-37 REF XP_001144161 'PREDICTED: CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) phosphatase, subunit 1 isoform 1 [Pan troglodytes]' 55.42 851 100.00 100.00 1.62e-09 REF NP_004706 'CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) phosphatase, subunit 1 isoform FCP1a [Homo sapiens]' 100.00 961 100.00 100.00 2.17e-37 GenBank EAW66628 'CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) phosphatase, subunit 1, isoform CRA_a [Homo sapiens]' 100.00 961 100.00 100.00 2.17e-37 GenBank AAH52576 'CTDP1 protein [Homo sapiens]' 100.00 874 100.00 100.00 2.10e-37 GenBank AAC64549 'serine phosphatase FCP1a [Homo sapiens]' 100.00 842 100.00 100.00 2.26e-37 PDB 1ONV 'Nmr Structure Of A Complex Containing The Tfiif Subunit Rap74 And The Rnap Ii Ctd Phosphatase Fcp1' 100.00 83 100.00 100.00 7.33e-37 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RAP74 Human 9606 Eukaryota Metazoa Homo sapiens $FCP1 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 $RAP74 'recombinant technology' . . . . . $FCP1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RAP74 1.0 mM 1.0 1.2 '[U-95% 13C; U-95% 15N]' $FCP1 1.0 mM 1.0 1.2 '[U-95% 13C; U-95% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_nmrview _Saveframe_category software _Name nmrview _Version 5.1 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_CT-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CT-HSQC' _Sample_label . save_ save_1H-15N_NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_(HB)CBCA(CO)NNH_5 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CBCA(CO)NNH _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_H(CCO)NNH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NNH-TOCSY _Sample_label . save_ save_C(CO)NNH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NNH-TOCSY _Sample_label . save_ save_1H-13C_HMQC-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HMQC-NOESY' _Sample_label . save_ save_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_DQF-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CBCA(CO)NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NNH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NNH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HMQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 300 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name RAP74 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 SER N N 117.150 0.05 1 2 . 1 SER H H 8.280 0.02 1 3 . 1 SER CA C 58.230 0.05 1 4 . 1 SER HA H 4.480 0.02 1 5 . 1 SER CB C 63.860 0.05 1 6 . 1 SER HB3 H 3.820 0.02 2 7 . 1 SER C C 174.160 0.05 1 8 . 2 THR N N 118.320 0.05 1 9 . 2 THR H H 8.150 0.02 1 10 . 2 THR CA C 59.740 0.05 1 11 . 2 THR HA H 4.660 0.02 1 12 . 2 THR CB C 69.730 0.05 1 13 . 2 THR HB H 4.180 0.02 1 14 . 2 THR CG2 C 21.520 0.05 1 15 . 2 THR HG2 H 1.260 0.02 1 16 . 3 PRO CA C 63.100 0.05 1 17 . 3 PRO HA H 4.390 0.02 1 18 . 3 PRO CB C 32.120 0.05 1 19 . 3 PRO HB3 H 2.250 0.02 2 20 . 3 PRO HB2 H 1.840 0.02 2 21 . 3 PRO CG C 27.440 0.05 1 22 . 3 PRO HG3 H 1.980 0.02 2 23 . 3 PRO CD C 51.100 0.05 1 24 . 3 PRO HD3 H 3.840 0.02 2 25 . 3 PRO HD2 H 3.670 0.02 2 26 . 3 PRO C C 176.650 0.05 1 27 . 4 GLN N N 122.170 0.05 1 28 . 4 GLN H H 8.460 0.02 1 29 . 4 GLN CA C 53.470 0.05 1 30 . 4 GLN HA H 4.590 0.02 1 31 . 4 GLN CB C 29.160 0.05 1 32 . 4 GLN HB3 H 2.060 0.02 2 33 . 4 GLN HB2 H 1.900 0.02 2 34 . 4 GLN CG C 33.940 0.05 1 35 . 4 GLN HG3 H 2.350 0.02 2 36 . 4 GLN NE2 N 113.100 0.05 1 37 . 4 GLN HE21 H 7.520 0.02 2 38 . 4 GLN HE22 H 6.850 0.02 2 39 . 6 PRO CA C 63.060 0.05 1 40 . 6 PRO HA H 4.440 0.02 1 41 . 6 PRO CB C 32.040 0.05 1 42 . 6 PRO HB3 H 2.280 0.02 2 43 . 6 PRO HB2 H 1.940 0.02 2 44 . 6 PRO CG C 27.480 0.05 1 45 . 6 PRO HG3 H 2.010 0.02 2 46 . 6 PRO CD C 50.420 0.05 1 47 . 6 PRO HD3 H 3.800 0.02 2 48 . 6 PRO HD2 H 3.630 0.02 2 49 . 6 PRO C C 177.030 0.05 1 50 . 7 SER N N 116.040 0.05 1 51 . 7 SER H H 8.420 0.02 1 52 . 7 SER CA C 58.410 0.05 1 53 . 7 SER HA H 4.400 0.02 1 54 . 7 SER CB C 63.940 0.05 1 55 . 7 SER HB3 H 3.860 0.02 2 56 . 7 SER C C 175.180 0.05 1 57 . 8 GLY N N 111.320 0.05 1 58 . 8 GLY H H 8.420 0.02 1 59 . 8 GLY CA C 45.400 0.05 1 60 . 8 GLY HA3 H 3.950 0.02 2 61 . 8 GLY C C 173.830 0.05 1 62 . 9 LYS N N 120.780 0.05 1 63 . 9 LYS H H 8.180 0.02 1 64 . 9 LYS CA C 56.560 0.05 1 65 . 9 LYS HA H 4.370 0.02 1 66 . 9 LYS CB C 32.210 0.05 1 67 . 9 LYS HB3 H 1.820 0.02 2 68 . 9 LYS CG C 24.710 0.05 1 69 . 9 LYS HG3 H 1.370 0.02 2 70 . 9 LYS CD C 29.380 0.05 1 71 . 9 LYS HD3 H 1.680 0.02 2 72 . 9 LYS CE C 42.020 0.05 1 73 . 9 LYS HE3 H 2.960 0.02 2 74 . 9 LYS C C 176.800 0.05 1 75 . 10 THR N N 115.180 0.05 1 76 . 10 THR H H 8.240 0.02 1 77 . 10 THR CA C 61.690 0.05 1 78 . 10 THR HA H 4.390 0.02 1 79 . 10 THR CB C 70.030 0.05 1 80 . 10 THR HB H 4.170 0.02 1 81 . 10 THR CG2 C 21.690 0.05 1 82 . 10 THR HG2 H 1.160 0.02 1 83 . 10 THR C C 174.420 0.05 1 84 . 11 THR N N 118.800 0.05 1 85 . 11 THR H H 8.240 0.02 1 86 . 11 THR CA C 59.690 0.05 1 87 . 11 THR HA H 4.610 0.02 1 88 . 11 THR CB C 70.030 0.05 1 89 . 11 THR HB H 4.130 0.02 1 90 . 11 THR CG2 C 21.520 0.05 1 91 . 11 THR HG2 H 1.260 0.02 1 92 . 12 PRO CA C 63.300 0.05 1 93 . 12 PRO HA H 4.410 0.02 1 94 . 12 PRO CB C 32.240 0.05 1 95 . 12 PRO HB3 H 2.280 0.02 2 96 . 12 PRO HB2 H 1.890 0.02 2 97 . 12 PRO CG C 27.480 0.05 1 98 . 12 PRO HG3 H 2.000 0.02 2 99 . 12 PRO CD C 51.230 0.05 1 100 . 12 PRO HD3 H 3.850 0.02 2 101 . 12 PRO HD2 H 3.710 0.02 2 102 . 12 PRO C C 176.620 0.05 1 103 . 13 ASN N N 119.160 0.05 1 104 . 13 ASN H H 8.570 0.02 1 105 . 13 ASN CA C 53.330 0.05 1 106 . 13 ASN HA H 4.690 0.02 1 107 . 13 ASN CB C 39.090 0.05 1 108 . 13 ASN HB3 H 2.800 0.02 2 109 . 13 ASN ND2 N 113.400 0.05 1 110 . 13 ASN HD21 H 7.660 0.02 2 111 . 13 ASN HD22 H 6.750 0.02 2 112 . 13 ASN C C 175.360 0.05 1 113 . 14 SER N N 116.280 0.05 1 114 . 14 SER H H 8.320 0.02 1 115 . 14 SER CA C 58.740 0.05 1 116 . 14 SER HA H 4.400 0.02 1 117 . 14 SER CB C 63.810 0.05 1 118 . 14 SER HB3 H 3.860 0.02 2 119 . 14 SER C C 174.900 0.05 1 120 . 15 GLY N N 110.580 0.05 1 121 . 15 GLY H H 8.370 0.02 1 122 . 15 GLY CA C 45.340 0.05 1 123 . 15 GLY HA3 H 3.940 0.02 2 124 . 15 GLY C C 173.830 0.05 1 125 . 16 ASP N N 120.460 0.05 1 126 . 16 ASP H H 8.160 0.02 1 127 . 16 ASP CA C 54.900 0.05 1 128 . 16 ASP HA H 4.610 0.02 1 129 . 16 ASP CB C 41.380 0.05 1 130 . 16 ASP HB3 H 2.670 0.02 2 131 . 16 ASP HB2 H 2.560 0.02 2 132 . 16 ASP C C 176.430 0.05 1 133 . 17 VAL N N 120.090 0.05 1 134 . 17 VAL H H 8.020 0.02 1 135 . 17 VAL CA C 62.470 0.05 1 136 . 17 VAL HA H 4.080 0.02 1 137 . 17 VAL CB C 33.040 0.05 1 138 . 17 VAL HB H 1.880 0.02 1 139 . 17 VAL CG2 C 21.580 0.05 1 140 . 17 VAL HG2 H 0.970 0.02 1 141 . 17 VAL CG1 C 21.430 0.05 1 142 . 17 VAL HG1 H 0.970 0.02 1 143 . 17 VAL C C 175.180 0.05 1 144 . 18 GLN N N 122.970 0.05 1 145 . 18 GLN H H 8.200 0.02 1 146 . 18 GLN CA C 54.990 0.05 1 147 . 18 GLN HA H 4.430 0.02 1 148 . 18 GLN CB C 30.980 0.05 1 149 . 18 GLN HB3 H 2.000 0.02 2 150 . 18 GLN HB2 H 1.900 0.02 2 151 . 18 GLN CG C 34.050 0.05 1 152 . 18 GLN HG3 H 2.340 0.02 1 153 . 18 GLN HG2 H 2.340 0.02 1 154 . 18 GLN NE2 N 112.960 0.05 1 155 . 18 GLN HE21 H 7.550 0.02 2 156 . 18 GLN HE22 H 6.800 0.02 2 157 . 18 GLN C C 175.520 0.05 1 158 . 19 VAL N N 124.150 0.05 1 159 . 19 VAL H H 8.890 0.02 1 160 . 19 VAL CA C 62.160 0.05 1 161 . 19 VAL HA H 3.630 0.02 1 162 . 19 VAL CB C 29.670 0.05 1 163 . 19 VAL HB H 1.920 0.02 1 164 . 19 VAL CG2 C 20.980 0.05 1 165 . 19 VAL HG2 H 0.700 0.02 2 166 . 19 VAL CG1 C 21.580 0.05 1 167 . 19 VAL HG1 H 0.070 0.02 2 168 . 19 VAL C C 174.240 0.05 1 169 . 20 THR N N 113.100 0.05 1 170 . 20 THR H H 6.630 0.02 1 171 . 20 THR CA C 58.520 0.05 1 172 . 20 THR HA H 4.600 0.02 1 173 . 20 THR CB C 72.490 0.05 1 174 . 20 THR HB H 4.520 0.02 1 175 . 20 THR CG2 C 21.970 0.05 1 176 . 20 THR HG2 H 1.080 0.02 1 177 . 20 THR C C 174.480 0.05 1 178 . 21 GLU N N 122.350 0.05 1 179 . 21 GLU H H 9.120 0.02 1 180 . 21 GLU CA C 60.130 0.05 1 181 . 21 GLU HA H 3.770 0.02 1 182 . 21 GLU CB C 30.090 0.05 1 183 . 21 GLU HB3 H 2.040 0.02 2 184 . 21 GLU CG C 36.950 0.05 1 185 . 21 GLU HG3 H 2.140 0.02 2 186 . 21 GLU C C 177.580 0.05 1 187 . 22 ASP N N 116.630 0.05 1 188 . 22 ASP H H 8.390 0.02 1 189 . 22 ASP CA C 57.360 0.05 1 190 . 22 ASP HA H 4.270 0.02 1 191 . 22 ASP CB C 41.190 0.05 1 192 . 22 ASP HB3 H 2.530 0.02 2 193 . 22 ASP C C 177.880 0.05 1 194 . 23 ALA N N 121.620 0.05 1 195 . 23 ALA H H 7.910 0.02 1 196 . 23 ALA CA C 55.000 0.05 1 197 . 23 ALA HA H 3.950 0.02 1 198 . 23 ALA CB C 19.000 0.05 1 199 . 23 ALA HB H 1.650 0.02 1 200 . 23 ALA C C 179.590 0.05 1 201 . 24 VAL N N 116.560 0.05 1 202 . 24 VAL H H 7.890 0.02 1 203 . 24 VAL CA C 67.680 0.05 1 204 . 24 VAL HA H 3.680 0.02 1 205 . 24 VAL CB C 31.690 0.05 1 206 . 24 VAL HB H 1.970 0.02 1 207 . 24 VAL CG2 C 24.420 0.05 1 208 . 24 VAL HG2 H 0.940 0.02 2 209 . 24 VAL CG1 C 22.650 0.05 1 210 . 24 VAL HG1 H 0.790 0.02 2 211 . 24 VAL C C 177.380 0.05 1 212 . 25 ARG N N 119.390 0.05 1 213 . 25 ARG H H 8.780 0.02 1 214 . 25 ARG CA C 60.150 0.05 1 215 . 25 ARG HA H 3.670 0.02 1 216 . 25 ARG CB C 30.250 0.05 1 217 . 25 ARG HB3 H 1.840 0.02 2 218 . 25 ARG CG C 28.010 0.05 1 219 . 25 ARG HG3 H 1.520 0.02 2 220 . 25 ARG HG2 H 1.420 0.02 2 221 . 25 ARG CD C 43.140 0.05 1 222 . 25 ARG HD3 H 3.260 0.02 2 223 . 25 ARG HD2 H 3.170 0.02 2 224 . 25 ARG C C 178.610 0.05 1 225 . 26 ARG N N 119.180 0.05 1 226 . 26 ARG H H 7.950 0.02 1 227 . 26 ARG CA C 59.710 0.05 1 228 . 26 ARG HA H 3.860 0.02 1 229 . 26 ARG CB C 29.790 0.05 1 230 . 26 ARG HB3 H 1.730 0.02 2 231 . 26 ARG CG C 27.980 0.05 1 232 . 26 ARG HG3 H 1.630 0.02 2 233 . 26 ARG HG2 H 1.380 0.02 2 234 . 26 ARG CD C 43.460 0.05 1 235 . 26 ARG HD3 H 3.080 0.02 2 236 . 26 ARG HD2 H 3.000 0.02 2 237 . 26 ARG C C 179.300 0.05 1 238 . 27 TYR N N 116.970 0.05 1 239 . 27 TYR H H 7.650 0.02 1 240 . 27 TYR CA C 61.390 0.05 1 241 . 27 TYR HA H 4.520 0.02 1 242 . 27 TYR CB C 37.810 0.05 1 243 . 27 TYR HB3 H 3.370 0.02 2 244 . 27 TYR HB2 H 2.950 0.02 2 245 . 27 TYR CD1 C 131.870 0.05 3 246 . 27 TYR HD1 H 7.130 0.02 3 247 . 27 TYR CE1 C 117.700 0.05 3 248 . 27 TYR HE1 H 6.630 0.02 3 249 . 27 TYR C C 178.260 0.05 1 250 . 28 LEU N N 115.180 0.05 1 251 . 28 LEU H H 8.230 0.02 1 252 . 28 LEU CA C 56.650 0.05 1 253 . 28 LEU HA H 4.550 0.02 1 254 . 28 LEU CB C 42.530 0.05 1 255 . 28 LEU HB3 H 1.830 0.02 2 256 . 28 LEU HB2 H 1.340 0.02 2 257 . 28 LEU CG C 26.460 0.05 1 258 . 28 LEU HG H 2.050 0.02 1 259 . 28 LEU CD1 C 26.460 0.05 1 260 . 28 LEU HD1 H 0.660 0.02 2 261 . 28 LEU CD2 C 23.730 0.05 1 262 . 28 LEU HD2 H 0.940 0.02 2 263 . 28 LEU C C 178.440 0.05 1 264 . 29 THR N N 111.730 0.05 1 265 . 29 THR H H 7.980 0.02 1 266 . 29 THR CA C 63.460 0.05 1 267 . 29 THR HA H 4.520 0.02 1 268 . 29 THR CB C 69.630 0.05 1 269 . 29 THR HB H 4.160 0.02 1 270 . 29 THR CG2 C 21.950 0.05 1 271 . 29 THR HG2 H 1.170 0.02 1 272 . 29 THR C C 175.910 0.05 1 273 . 30 ARG N N 122.330 0.05 1 274 . 30 ARG H H 7.450 0.02 1 275 . 30 ARG CA C 58.500 0.05 1 276 . 30 ARG HA H 4.180 0.02 1 277 . 30 ARG CB C 31.020 0.05 1 278 . 30 ARG HB3 H 2.050 0.02 2 279 . 30 ARG CG C 27.310 0.05 1 280 . 30 ARG HG3 H 1.830 0.02 2 281 . 30 ARG HG2 H 1.710 0.02 2 282 . 30 ARG CD C 43.550 0.05 1 283 . 30 ARG HD3 H 3.240 0.02 2 284 . 30 ARG C C 176.710 0.05 1 285 . 31 LYS N N 116.850 0.05 1 286 . 31 LYS H H 7.750 0.02 1 287 . 31 LYS CA C 54.440 0.05 1 288 . 31 LYS HA H 4.710 0.02 1 289 . 31 LYS CB C 33.450 0.05 1 290 . 31 LYS HB3 H 1.880 0.02 2 291 . 31 LYS HB2 H 1.800 0.02 2 292 . 31 LYS CG C 25.390 0.05 1 293 . 31 LYS HG3 H 1.500 0.02 2 294 . 31 LYS HG2 H 1.370 0.02 2 295 . 31 LYS HD3 H 1.730 0.02 2 296 . 31 LYS HE3 H 2.800 0.02 2 297 . 32 PRO CA C 62.370 0.05 1 298 . 32 PRO HA H 4.980 0.02 1 299 . 32 PRO CB C 31.950 0.05 1 300 . 32 PRO HB3 H 1.980 0.02 2 301 . 32 PRO HB2 H 1.700 0.02 2 302 . 32 PRO CG C 28.050 0.05 1 303 . 32 PRO HG3 H 1.970 0.02 2 304 . 32 PRO HG2 H 1.830 0.02 2 305 . 32 PRO CD C 50.410 0.05 1 306 . 32 PRO HD3 H 3.850 0.02 2 307 . 32 PRO HD2 H 3.550 0.02 2 308 . 32 PRO C C 177.940 0.05 1 309 . 33 MET N N 121.990 0.05 1 310 . 33 MET H H 8.950 0.02 1 311 . 33 MET CA C 54.670 0.05 1 312 . 33 MET HA H 5.210 0.02 1 313 . 33 MET CB C 38.240 0.05 1 314 . 33 MET HB3 H 2.190 0.02 2 315 . 33 MET HB2 H 1.840 0.02 2 316 . 33 MET CG C 32.340 0.05 1 317 . 33 MET HG3 H 2.830 0.02 2 318 . 33 MET HG2 H 2.730 0.02 2 319 . 33 MET CE C 17.680 0.05 1 320 . 33 MET HE H 1.780 0.02 1 321 . 33 MET C C 176.100 0.05 1 322 . 34 THR N N 114.070 0.05 1 323 . 34 THR H H 8.940 0.02 1 324 . 34 THR CA C 60.450 0.05 1 325 . 34 THR HA H 4.710 0.02 1 326 . 34 THR CB C 71.250 0.05 1 327 . 34 THR HB H 4.610 0.02 1 328 . 34 THR CG2 C 20.680 0.05 1 329 . 34 THR HG2 H 0.460 0.02 1 330 . 34 THR C C 175.740 0.05 1 331 . 35 THR N N 114.110 0.05 1 332 . 35 THR H H 9.110 0.02 1 333 . 35 THR CA C 66.780 0.05 1 334 . 35 THR HA H 3.770 0.02 1 335 . 35 THR CB C 67.510 0.05 1 336 . 35 THR HB H 4.170 0.02 1 337 . 35 THR CG2 C 24.740 0.05 1 338 . 35 THR HG2 H 1.320 0.02 1 339 . 35 THR C C 176.910 0.05 1 340 . 36 LYS N N 120.090 0.05 1 341 . 36 LYS H H 8.040 0.02 1 342 . 36 LYS CA C 60.600 0.05 1 343 . 36 LYS HA H 3.820 0.02 1 344 . 36 LYS CB C 32.500 0.05 1 345 . 36 LYS HB3 H 1.650 0.02 2 346 . 36 LYS CG C 26.220 0.05 1 347 . 36 LYS HG3 H 1.280 0.02 2 348 . 36 LYS HG2 H 1.360 0.02 2 349 . 36 LYS CD C 29.480 0.05 1 350 . 36 LYS HD3 H 1.650 0.02 2 351 . 36 LYS CE C 42.120 0.05 1 352 . 36 LYS HE3 H 2.830 0.02 2 353 . 36 LYS C C 178.060 0.05 1 354 . 37 ASP N N 119.160 0.05 1 355 . 37 ASP H H 7.810 0.02 1 356 . 37 ASP CA C 57.320 0.05 1 357 . 37 ASP HA H 4.180 0.02 1 358 . 37 ASP CB C 40.710 0.05 1 359 . 37 ASP HB3 H 2.910 0.02 2 360 . 37 ASP HB2 H 2.540 0.02 2 361 . 37 ASP C C 179.080 0.05 1 362 . 38 LEU N N 120.090 0.05 1 363 . 38 LEU H H 8.060 0.02 1 364 . 38 LEU CA C 57.890 0.05 1 365 . 38 LEU HA H 3.860 0.02 1 366 . 38 LEU CB C 42.580 0.05 1 367 . 38 LEU HB3 H 1.740 0.02 2 368 . 38 LEU HB2 H 1.700 0.02 2 369 . 38 LEU CG C 27.330 0.05 1 370 . 38 LEU HG H 1.740 0.02 1 371 . 38 LEU CD1 C 25.910 0.05 1 372 . 38 LEU HD1 H 0.930 0.02 2 373 . 38 LEU CD2 C 24.880 0.05 1 374 . 38 LEU HD2 H 1.010 0.02 2 375 . 38 LEU C C 178.530 0.05 1 376 . 39 LEU N N 118.500 0.05 1 377 . 39 LEU H H 8.220 0.02 1 378 . 39 LEU CA C 58.250 0.05 1 379 . 39 LEU HA H 3.850 0.02 1 380 . 39 LEU CB C 41.540 0.05 1 381 . 39 LEU HB3 H 1.960 0.02 2 382 . 39 LEU HB2 H 1.410 0.02 2 383 . 39 LEU CG C 27.510 0.05 1 384 . 39 LEU HG H 1.650 0.02 1 385 . 39 LEU CD1 C 26.370 0.05 1 386 . 39 LEU HD1 H 0.850 0.02 2 387 . 39 LEU CD2 C 24.380 0.05 1 388 . 39 LEU HD2 H 0.830 0.02 2 389 . 39 LEU C C 179.970 0.05 1 390 . 40 LYS N N 118.130 0.05 1 391 . 40 LYS H H 7.670 0.02 1 392 . 40 LYS CA C 58.780 0.05 1 393 . 40 LYS HA H 3.930 0.02 1 394 . 40 LYS CB C 32.530 0.05 1 395 . 40 LYS HB3 H 1.820 0.02 1 396 . 40 LYS HB2 H 1.820 0.02 1 397 . 40 LYS CG C 25.780 0.05 1 398 . 40 LYS HG3 H 1.390 0.02 2 399 . 40 LYS HG2 H 1.640 0.02 2 400 . 40 LYS CD C 29.530 0.05 1 401 . 40 LYS HD3 H 1.610 0.02 1 402 . 40 LYS HD2 H 1.610 0.02 1 403 . 40 LYS CE C 42.000 0.05 1 404 . 40 LYS HE3 H 2.870 0.02 1 405 . 40 LYS HE2 H 2.870 0.02 1 406 . 40 LYS C C 178.150 0.05 1 407 . 41 LYS N N 114.520 0.05 1 408 . 41 LYS H H 7.210 0.02 1 409 . 41 LYS CA C 54.890 0.05 1 410 . 41 LYS HA H 3.870 0.02 1 411 . 41 LYS CB C 31.100 0.05 1 412 . 41 LYS HB3 H 0.950 0.02 2 413 . 41 LYS HB2 H 1.100 0.02 2 414 . 41 LYS CG C 22.850 0.05 1 415 . 41 LYS HG3 H -0.100 0.02 2 416 . 41 LYS HG2 H 1.100 0.02 2 417 . 41 LYS CD C 27.300 0.05 1 418 . 41 LYS HD3 H 1.250 0.02 1 419 . 41 LYS HD2 H 1.250 0.02 1 420 . 41 LYS CE C 42.090 0.05 1 421 . 41 LYS HE3 H 2.420 0.02 1 422 . 41 LYS HE2 H 2.420 0.02 1 423 . 41 LYS C C 176.530 0.05 1 424 . 42 PHE N N 119.770 0.05 1 425 . 42 PHE H H 7.460 0.02 1 426 . 42 PHE CA C 55.290 0.05 1 427 . 42 PHE HA H 4.660 0.02 1 428 . 42 PHE CB C 39.330 0.05 1 429 . 42 PHE HB3 H 2.560 0.02 2 430 . 42 PHE HB2 H 3.080 0.02 2 431 . 42 PHE CD1 C 132.600 0.05 3 432 . 42 PHE HD1 H 7.110 0.02 3 433 . 42 PHE CE1 C 130.400 0.05 3 434 . 42 PHE HE1 H 7.280 0.02 3 435 . 42 PHE CZ C 128.000 0.05 1 436 . 42 PHE HZ H 7.220 0.02 1 437 . 42 PHE C C 174.680 0.05 1 438 . 43 GLN N N 121.550 0.05 1 439 . 43 GLN H H 8.190 0.02 1 440 . 43 GLN CA C 56.400 0.05 1 441 . 43 GLN HA H 4.340 0.02 1 442 . 43 GLN CB C 29.260 0.05 1 443 . 43 GLN HB3 H 1.890 0.02 2 444 . 43 GLN HB2 H 2.280 0.02 2 445 . 43 GLN CG C 34.320 0.05 1 446 . 43 GLN HG3 H 2.470 0.02 1 447 . 43 GLN HG2 H 2.470 0.02 1 448 . 43 GLN NE2 N 112.240 0.05 1 449 . 43 GLN HE21 H 7.640 0.02 2 450 . 43 GLN HE22 H 6.950 0.02 2 451 . 43 GLN C C 178.420 0.05 1 452 . 44 THR N N 119.380 0.05 1 453 . 44 THR H H 9.110 0.02 1 454 . 44 THR CA C 64.900 0.05 1 455 . 44 THR HA H 4.320 0.02 1 456 . 44 THR CB C 68.700 0.05 1 457 . 44 THR HB H 4.440 0.02 1 458 . 44 THR CG2 C 21.590 0.05 1 459 . 44 THR HG2 H 1.180 0.02 1 460 . 44 THR C C 178.130 0.05 1 461 . 45 LYS N N 119.900 0.05 1 462 . 45 LYS H H 8.320 0.02 1 463 . 45 LYS CA C 58.280 0.05 1 464 . 45 LYS HA H 4.170 0.02 1 465 . 45 LYS CB C 32.280 0.05 1 466 . 45 LYS HB3 H 1.820 0.02 1 467 . 45 LYS HB2 H 1.820 0.02 1 468 . 45 LYS CG C 24.930 0.05 1 469 . 45 LYS HG3 H 1.420 0.02 1 470 . 45 LYS HG2 H 1.420 0.02 1 471 . 45 LYS CD C 29.140 0.05 1 472 . 45 LYS HD3 H 1.660 0.02 1 473 . 45 LYS HD2 H 1.660 0.02 1 474 . 45 LYS CE C 42.060 0.05 1 475 . 45 LYS HE3 H 2.960 0.02 1 476 . 45 LYS HE2 H 2.960 0.02 1 477 . 45 LYS C C 176.530 0.05 1 478 . 46 LYS N N 116.410 0.05 1 479 . 46 LYS H H 7.740 0.02 1 480 . 46 LYS CA C 56.760 0.05 1 481 . 46 LYS HA H 4.450 0.02 1 482 . 46 LYS CB C 33.430 0.05 1 483 . 46 LYS HB3 H 1.940 0.02 1 484 . 46 LYS HB2 H 1.940 0.02 1 485 . 46 LYS CG C 25.280 0.05 1 486 . 46 LYS HG3 H 1.350 0.02 2 487 . 46 LYS HG2 H 1.470 0.02 2 488 . 46 LYS CD C 28.690 0.05 1 489 . 46 LYS HD3 H 1.660 0.02 1 490 . 46 LYS HD2 H 1.660 0.02 1 491 . 46 LYS CE C 42.190 0.05 1 492 . 46 LYS HE3 H 2.950 0.02 1 493 . 46 LYS HE2 H 2.950 0.02 1 494 . 46 LYS C C 177.680 0.05 1 495 . 47 THR N N 109.610 0.05 1 496 . 47 THR H H 8.240 0.02 1 497 . 47 THR CA C 62.100 0.05 1 498 . 47 THR HA H 4.550 0.02 1 499 . 47 THR CB C 70.070 0.05 1 500 . 47 THR HB H 4.250 0.02 1 501 . 47 THR CG2 C 20.310 0.05 1 502 . 47 THR HG2 H 1.180 0.02 1 503 . 47 THR C C 177.190 0.05 1 504 . 48 GLY N N 110.280 0.05 1 505 . 48 GLY H H 8.290 0.02 1 506 . 48 GLY CA C 45.870 0.05 1 507 . 48 GLY HA3 H 3.770 0.02 2 508 . 48 GLY HA2 H 4.130 0.02 2 509 . 48 GLY C C 174.050 0.05 1 510 . 49 LEU N N 121.310 0.05 1 511 . 49 LEU H H 8.070 0.02 1 512 . 49 LEU CA C 53.930 0.05 1 513 . 49 LEU HA H 4.500 0.02 1 514 . 49 LEU CB C 43.590 0.05 1 515 . 49 LEU HB3 H 1.540 0.02 1 516 . 49 LEU HB2 H 1.540 0.02 1 517 . 49 LEU CG C 27.250 0.05 1 518 . 49 LEU HG H 1.440 0.02 1 519 . 49 LEU CD1 C 25.270 0.05 1 520 . 49 LEU HD1 H 0.770 0.02 1 521 . 49 LEU CD2 C 22.530 0.05 1 522 . 49 LEU HD2 H 0.770 0.02 1 523 . 49 LEU C C 177.190 0.05 1 524 . 50 SER N N 114.790 0.05 1 525 . 50 SER H H 8.590 0.02 1 526 . 50 SER CA C 56.900 0.05 1 527 . 50 SER HA H 4.620 0.02 1 528 . 50 SER CB C 65.510 0.05 1 529 . 50 SER HB3 H 4.050 0.02 2 530 . 50 SER HB2 H 4.460 0.02 2 531 . 50 SER C C 177.470 0.05 1 532 . 51 SER N N 121.620 0.05 1 533 . 51 SER H H 9.520 0.02 1 534 . 51 SER CA C 62.400 0.05 1 535 . 51 SER HA H 4.220 0.02 1 536 . 51 SER CB C 62.400 0.05 1 537 . 51 SER HB3 H 3.940 0.02 1 538 . 51 SER HB2 H 3.940 0.02 1 539 . 51 SER C C 176.130 0.05 1 540 . 52 GLU N N 121.260 0.05 1 541 . 52 GLU H H 8.570 0.02 1 542 . 52 GLU CA C 59.880 0.05 1 543 . 52 GLU HA H 3.950 0.02 1 544 . 52 GLU CB C 29.540 0.05 1 545 . 52 GLU HB3 H 1.350 0.02 2 546 . 52 GLU HB2 H 1.880 0.02 2 547 . 52 GLU CG C 36.500 0.05 1 548 . 52 GLU HG3 H 2.260 0.02 1 549 . 52 GLU HG2 H 2.260 0.02 1 550 . 52 GLU C C 179.190 0.05 1 551 . 53 GLN N N 118.600 0.05 1 552 . 53 GLN H H 7.940 0.02 1 553 . 53 GLN CA C 58.540 0.05 1 554 . 53 GLN HA H 4.080 0.02 1 555 . 53 GLN CB C 29.580 0.05 1 556 . 53 GLN HB3 H 1.970 0.02 2 557 . 53 GLN HB2 H 2.250 0.02 2 558 . 53 GLN CG C 34.310 0.05 1 559 . 53 GLN HG3 H 2.440 0.02 1 560 . 53 GLN HG2 H 2.440 0.02 1 561 . 53 GLN NE2 N 111.420 0.05 1 562 . 53 GLN HE21 H 7.480 0.02 2 563 . 53 GLN HE22 H 6.830 0.02 2 564 . 53 GLN C C 178.160 0.05 1 565 . 54 THR N N 116.410 0.05 1 566 . 54 THR H H 8.240 0.02 1 567 . 54 THR CA C 67.730 0.05 1 568 . 54 THR HA H 3.570 0.02 1 569 . 54 THR CB C 68.750 0.05 1 570 . 54 THR HB H 4.480 0.02 1 571 . 54 THR CG2 C 20.690 0.05 1 572 . 54 THR HG2 H 1.060 0.02 1 573 . 54 THR C C 175.180 0.05 1 574 . 55 VAL N N 119.640 0.05 1 575 . 55 VAL H H 7.640 0.02 1 576 . 55 VAL CA C 67.740 0.05 1 577 . 55 VAL HA H 3.310 0.02 1 578 . 55 VAL CB C 32.090 0.05 1 579 . 55 VAL HB H 2.090 0.02 1 580 . 55 VAL CG2 C 20.940 0.05 1 581 . 55 VAL HG2 H 0.830 0.02 2 582 . 55 VAL CG1 C 23.870 0.05 1 583 . 55 VAL HG1 H 1.110 0.02 2 584 . 55 VAL C C 177.510 0.05 1 585 . 56 ASN N N 116.410 0.05 1 586 . 56 ASN H H 7.720 0.02 1 587 . 56 ASN CA C 56.840 0.05 1 588 . 56 ASN HA H 4.350 0.02 1 589 . 56 ASN CB C 39.160 0.05 1 590 . 56 ASN HB3 H 2.740 0.02 2 591 . 56 ASN HB2 H 2.820 0.02 2 592 . 56 ASN ND2 N 112.450 0.05 1 593 . 56 ASN HD21 H 7.690 0.02 2 594 . 56 ASN HD22 H 6.900 0.02 2 595 . 56 ASN C C 178.050 0.05 1 596 . 57 VAL N N 119.160 0.05 1 597 . 57 VAL H H 8.560 0.02 1 598 . 57 VAL CA C 65.870 0.05 1 599 . 57 VAL HA H 3.760 0.02 1 600 . 57 VAL CB C 31.820 0.05 1 601 . 57 VAL HB H 1.980 0.02 1 602 . 57 VAL CG2 C 22.860 0.05 1 603 . 57 VAL HG2 H 1.020 0.02 2 604 . 57 VAL CG1 C 21.180 0.05 1 605 . 57 VAL HG1 H 0.870 0.02 2 606 . 57 VAL C C 178.450 0.05 1 607 . 58 LEU N N 119.770 0.05 1 608 . 58 LEU H H 8.110 0.02 1 609 . 58 LEU CA C 57.790 0.05 1 610 . 58 LEU HA H 3.820 0.02 1 611 . 58 LEU CB C 42.020 0.05 1 612 . 58 LEU HB3 H 1.790 0.02 2 613 . 58 LEU HB2 H 1.160 0.02 2 614 . 58 LEU CG C 27.630 0.05 1 615 . 58 LEU HG H 1.500 0.02 1 616 . 58 LEU CD1 C 26.150 0.05 1 617 . 58 LEU HD1 H 0.660 0.02 2 618 . 58 LEU CD2 C 24.220 0.05 1 619 . 58 LEU HD2 H 0.440 0.02 2 620 . 58 LEU C C 178.440 0.05 1 621 . 59 ALA N N 121.260 0.05 1 622 . 59 ALA H H 8.600 0.02 1 623 . 59 ALA CA C 56.060 0.05 1 624 . 59 ALA HA H 3.770 0.02 1 625 . 59 ALA CB C 18.040 0.05 1 626 . 59 ALA HB H 1.380 0.02 1 627 . 59 ALA C C 179.010 0.05 1 628 . 60 GLN N N 115.180 0.05 1 629 . 60 GLN H H 7.490 0.02 1 630 . 60 GLN CA C 58.880 0.05 1 631 . 60 GLN HA H 3.870 0.02 1 632 . 60 GLN CB C 28.460 0.05 1 633 . 60 GLN HB3 H 2.200 0.02 2 634 . 60 GLN HB2 H 2.140 0.02 2 635 . 60 GLN CG C 33.860 0.05 1 636 . 60 GLN HG3 H 2.520 0.02 2 637 . 60 GLN HG2 H 2.400 0.02 2 638 . 60 GLN NE2 N 112.140 0.05 1 639 . 60 GLN HE21 H 7.380 0.02 2 640 . 60 GLN HE22 H 6.850 0.02 2 641 . 60 GLN C C 179.480 0.05 1 642 . 61 ILE N N 119.680 0.05 1 643 . 61 ILE H H 8.000 0.02 1 644 . 61 ILE CA C 65.460 0.05 1 645 . 61 ILE HA H 3.510 0.02 1 646 . 61 ILE CB C 38.750 0.05 1 647 . 61 ILE HB H 1.700 0.02 1 648 . 61 ILE CG1 C 29.940 0.05 2 649 . 61 ILE HG13 H 1.880 0.02 1 650 . 61 ILE HG12 H 0.800 0.02 1 651 . 61 ILE CD1 C 14.470 0.05 1 652 . 61 ILE HD1 H 0.470 0.02 1 653 . 61 ILE CG2 C 18.560 0.05 1 654 . 61 ILE HG2 H 0.750 0.02 1 655 . 61 ILE C C 177.830 0.05 1 656 . 62 LEU N N 119.390 0.05 1 657 . 62 LEU H H 8.780 0.02 1 658 . 62 LEU CA C 58.660 0.05 1 659 . 62 LEU HA H 3.680 0.02 1 660 . 62 LEU CB C 41.490 0.05 1 661 . 62 LEU HB3 H 1.820 0.02 2 662 . 62 LEU HB2 H 0.880 0.02 2 663 . 62 LEU CG C 27.740 0.05 1 664 . 62 LEU HG H 1.560 0.02 1 665 . 62 LEU CD1 C 25.740 0.05 1 666 . 62 LEU HD1 H 0.420 0.02 2 667 . 62 LEU CD2 C 23.050 0.05 1 668 . 62 LEU HD2 H 0.300 0.02 2 669 . 62 LEU C C 179.340 0.05 1 670 . 63 LYS N N 118.550 0.05 1 671 . 63 LYS H H 8.120 0.02 1 672 . 63 LYS CA C 59.800 0.05 1 673 . 63 LYS HA H 3.960 0.02 1 674 . 63 LYS CB C 32.480 0.05 1 675 . 63 LYS HB3 H 1.830 0.02 2 676 . 63 LYS CG C 26.200 0.05 1 677 . 63 LYS HG3 H 1.610 0.02 2 678 . 63 LYS HG2 H 1.350 0.02 2 679 . 63 LYS CD C 29.580 0.05 1 680 . 63 LYS HD3 H 1.610 0.02 2 681 . 63 LYS CE C 42.480 0.05 1 682 . 63 LYS HE3 H 2.880 0.02 2 683 . 63 LYS C C 178.810 0.05 1 684 . 64 ARG N N 118.140 0.05 1 685 . 64 ARG H H 7.390 0.02 1 686 . 64 ARG CA C 58.800 0.05 1 687 . 64 ARG HA H 4.050 0.02 1 688 . 64 ARG CB C 30.440 0.05 1 689 . 64 ARG HB3 H 1.890 0.02 2 690 . 64 ARG CG C 27.880 0.05 1 691 . 64 ARG HG3 H 1.730 0.02 2 692 . 64 ARG HG2 H 1.600 0.02 2 693 . 64 ARG CD C 43.580 0.05 1 694 . 64 ARG HD3 H 3.170 0.02 2 695 . 64 ARG C C 178.630 0.05 1 696 . 65 LEU N N 117.450 0.05 1 697 . 65 LEU H H 8.240 0.02 1 698 . 65 LEU CA C 56.360 0.05 1 699 . 65 LEU HA H 4.000 0.02 1 700 . 65 LEU CB C 43.450 0.05 1 701 . 65 LEU HB3 H 1.620 0.02 2 702 . 65 LEU HB2 H 1.330 0.02 2 703 . 65 LEU CG C 26.450 0.05 1 704 . 65 LEU HG H 1.830 0.02 1 705 . 65 LEU CD1 C 22.720 0.05 1 706 . 65 LEU HD1 H 0.800 0.02 2 707 . 65 LEU CD2 C 26.450 0.05 1 708 . 65 LEU HD2 H 0.710 0.02 2 709 . 65 LEU C C 176.620 0.05 1 710 . 66 ASN N N 112.780 0.05 1 711 . 66 ASN H H 7.960 0.02 1 712 . 66 ASN CA C 53.390 0.05 1 713 . 66 ASN HA H 4.470 0.02 1 714 . 66 ASN CB C 37.920 0.05 1 715 . 66 ASN HB3 H 3.250 0.02 2 716 . 66 ASN HB2 H 2.430 0.02 2 717 . 66 ASN ND2 N 115.520 0.05 1 718 . 66 ASN HD21 H 7.530 0.02 2 719 . 66 ASN HD22 H 6.750 0.02 2 720 . 67 PRO CA C 62.530 0.05 1 721 . 67 PRO HA H 4.530 0.02 1 722 . 67 PRO CB C 32.530 0.05 1 723 . 67 PRO HB3 H 2.270 0.02 2 724 . 67 PRO HB2 H 1.950 0.02 2 725 . 67 PRO CG C 27.530 0.05 1 726 . 67 PRO HG3 H 1.810 0.02 2 727 . 67 PRO HG2 H 1.440 0.02 2 728 . 67 PRO CD C 50.500 0.05 1 729 . 67 PRO HD3 H 3.760 0.02 2 730 . 67 PRO HD2 H 3.630 0.02 2 731 . 67 PRO C C 176.520 0.05 1 732 . 68 GLU N N 120.500 0.05 1 733 . 68 GLU H H 8.450 0.02 1 734 . 68 GLU CA C 57.000 0.05 1 735 . 68 GLU HA H 4.260 0.02 1 736 . 68 GLU CB C 30.570 0.05 1 737 . 68 GLU HB3 H 2.000 0.02 2 738 . 68 GLU CG C 36.870 0.05 1 739 . 68 GLU HG3 H 2.330 0.02 2 740 . 68 GLU HG2 H 2.170 0.02 2 741 . 68 GLU C C 175.950 0.05 1 742 . 69 ARG N N 123.260 0.05 1 743 . 69 ARG H H 8.470 0.02 1 744 . 69 ARG CA C 54.870 0.05 1 745 . 69 ARG HA H 5.020 0.02 1 746 . 69 ARG CB C 31.950 0.05 1 747 . 69 ARG HB3 H 1.610 0.02 2 748 . 69 ARG CG C 27.610 0.05 1 749 . 69 ARG HG3 H 1.460 0.02 2 750 . 69 ARG HG2 H 1.650 0.02 2 751 . 69 ARG CD C 44.020 0.05 1 752 . 69 ARG HD3 H 3.180 0.02 2 753 . 69 ARG C C 175.910 0.05 1 754 . 70 LYS N N 123.630 0.05 1 755 . 70 LYS H H 8.870 0.02 1 756 . 70 LYS CA C 54.870 0.05 1 757 . 70 LYS HA H 4.490 0.02 1 758 . 70 LYS CB C 36.260 0.05 1 759 . 70 LYS HB3 H 1.620 0.02 2 760 . 70 LYS HB2 H 1.500 0.02 2 761 . 70 LYS CG C 24.410 0.05 1 762 . 70 LYS HG3 H 1.210 0.02 2 763 . 70 LYS CD C 29.360 0.05 1 764 . 70 LYS HD3 H 1.530 0.02 2 765 . 70 LYS CE C 41.880 0.05 1 766 . 70 LYS HE3 H 2.820 0.02 2 767 . 70 LYS C C 174.870 0.05 1 768 . 71 MET N N 124.340 0.05 1 769 . 71 MET H H 8.730 0.02 1 770 . 71 MET CA C 53.940 0.05 1 771 . 71 MET HA H 4.880 0.02 1 772 . 71 MET CB C 31.170 0.05 1 773 . 71 MET HB3 H 1.960 0.02 2 774 . 71 MET HB2 H 1.840 0.02 2 775 . 71 MET CG C 31.480 0.05 1 776 . 71 MET HG3 H 2.460 0.02 2 777 . 71 MET CE C 16.250 0.05 1 778 . 71 MET HE H 1.880 0.02 1 779 . 71 MET C C 176.130 0.05 1 780 . 72 ILE N N 126.300 0.05 1 781 . 72 ILE H H 8.430 0.02 1 782 . 72 ILE CA C 61.140 0.05 1 783 . 72 ILE HA H 4.080 0.02 1 784 . 72 ILE CB C 40.240 0.05 1 785 . 72 ILE HB H 0.880 0.02 1 786 . 72 ILE CG1 C 26.460 0.05 2 787 . 72 ILE HG13 H 1.030 0.02 1 788 . 72 ILE HG12 H 0.670 0.02 1 789 . 72 ILE CD1 C 13.980 0.05 1 790 . 72 ILE HD1 H 0.190 0.02 1 791 . 72 ILE CG2 C 16.830 0.05 1 792 . 72 ILE HG2 H 0.590 0.02 1 793 . 72 ILE C C 176.020 0.05 1 794 . 73 ASN N N 126.400 0.05 1 795 . 73 ASN H H 9.400 0.02 1 796 . 73 ASN CA C 54.910 0.05 1 797 . 73 ASN HA H 4.250 0.02 1 798 . 73 ASN CB C 37.260 0.05 1 799 . 73 ASN HB3 H 3.000 0.02 2 800 . 73 ASN HB2 H 2.820 0.02 2 801 . 73 ASN ND2 N 113.170 0.05 1 802 . 73 ASN HD21 H 7.620 0.02 2 803 . 73 ASN HD22 H 6.870 0.02 2 804 . 73 ASN C C 174.260 0.05 1 805 . 74 ASP N N 109.540 0.05 1 806 . 74 ASP H H 8.670 0.02 1 807 . 74 ASP CA C 56.250 0.05 1 808 . 74 ASP HA H 4.150 0.02 1 809 . 74 ASP CB C 40.100 0.05 1 810 . 74 ASP HB3 H 2.910 0.02 2 811 . 74 ASP HB2 H 2.820 0.02 2 812 . 74 ASP C C 174.800 0.05 1 813 . 75 LYS N N 117.850 0.05 1 814 . 75 LYS H H 7.810 0.02 1 815 . 75 LYS CA C 54.760 0.05 1 816 . 75 LYS HA H 4.720 0.02 1 817 . 75 LYS CB C 36.310 0.05 1 818 . 75 LYS HB3 H 1.790 0.02 2 819 . 75 LYS HB2 H 1.710 0.02 2 820 . 75 LYS CG C 24.530 0.05 1 821 . 75 LYS HG3 H 1.470 0.02 2 822 . 75 LYS CD C 28.990 0.05 1 823 . 75 LYS HD3 H 1.750 0.02 2 824 . 75 LYS CE C 42.270 0.05 1 825 . 75 LYS HE3 H 3.030 0.02 2 826 . 75 LYS C C 176.820 0.05 1 827 . 76 MET N N 129.090 0.05 1 828 . 76 MET H H 9.250 0.02 1 829 . 76 MET CA C 57.130 0.05 1 830 . 76 MET HA H 4.480 0.02 1 831 . 76 MET CB C 31.590 0.05 1 832 . 76 MET HB3 H 1.880 0.02 2 833 . 76 MET HB2 H 1.830 0.02 2 834 . 76 MET CG C 31.630 0.05 1 835 . 76 MET HG3 H 2.010 0.02 2 836 . 76 MET HG2 H 1.960 0.02 2 837 . 76 MET CE C 16.450 0.05 1 838 . 76 MET HE H 1.830 0.02 1 839 . 76 MET C C 175.160 0.05 1 840 . 77 HIS N N 125.400 0.05 1 841 . 77 HIS H H 9.260 0.02 1 842 . 77 HIS CA C 54.940 0.05 1 843 . 77 HIS HA H 4.570 0.02 1 844 . 77 HIS CB C 32.360 0.05 1 845 . 77 HIS HB3 H 2.800 0.02 2 846 . 77 HIS HB2 H 2.740 0.02 2 847 . 77 HIS CD2 C 126.700 0.05 1 848 . 77 HIS HD2 H 6.530 0.02 4 849 . 77 HIS CE1 C 139.700 0.05 1 850 . 77 HIS HE1 H 7.830 0.02 4 851 . 77 HIS C C 173.720 0.05 1 852 . 78 PHE N N 120.180 0.05 1 853 . 78 PHE H H 9.190 0.02 1 854 . 78 PHE CA C 56.350 0.05 1 855 . 78 PHE HA H 5.600 0.02 1 856 . 78 PHE CB C 42.520 0.05 1 857 . 78 PHE HB3 H 2.830 0.02 2 858 . 78 PHE CD1 C 131.000 0.05 3 859 . 78 PHE HD1 H 7.110 0.02 3 860 . 78 PHE CE1 C 131.500 0.05 3 861 . 78 PHE HE1 H 7.250 0.02 3 862 . 78 PHE CZ C 128.500 0.05 1 863 . 78 PHE HZ H 7.110 0.02 1 864 . 78 PHE C C 175.850 0.05 1 865 . 79 SER N N 113.440 0.05 1 866 . 79 SER H H 8.800 0.02 1 867 . 79 SER CA C 57.650 0.05 1 868 . 79 SER HA H 4.880 0.02 1 869 . 79 SER CB C 65.910 0.05 1 870 . 79 SER HB3 H 3.690 0.02 2 871 . 79 SER HB2 H 3.490 0.02 2 872 . 79 SER C C 172.040 0.05 1 873 . 80 LEU N N 123.310 0.05 1 874 . 80 LEU H H 7.490 0.02 1 875 . 80 LEU CA C 53.450 0.05 1 876 . 80 LEU HA H 4.880 0.02 1 877 . 80 LEU CB C 46.400 0.05 1 878 . 80 LEU HB3 H 1.540 0.02 2 879 . 80 LEU HB2 H 1.290 0.02 2 880 . 80 LEU CG C 27.580 0.05 1 881 . 80 LEU HG H 1.490 0.02 1 882 . 80 LEU CD1 C 27.500 0.05 1 883 . 80 LEU HD1 H 0.980 0.02 2 884 . 80 LEU CD2 C 24.610 0.05 1 885 . 80 LEU HD2 H 1.010 0.02 2 886 . 80 LEU C C 175.580 0.05 1 887 . 81 LYS N N 121.800 0.05 1 888 . 81 LYS H H 8.490 0.02 1 889 . 81 LYS CA C 56.310 0.05 1 890 . 81 LYS HA H 4.320 0.02 1 891 . 81 LYS CB C 33.720 0.05 1 892 . 81 LYS HB3 H 1.800 0.02 2 893 . 81 LYS HB2 H 1.830 0.02 2 894 . 81 LYS CG C 24.790 0.05 1 895 . 81 LYS HG3 H 1.450 0.02 2 896 . 81 LYS CD C 29.210 0.05 1 897 . 81 LYS HD3 H 1.680 0.02 2 898 . 81 LYS CE C 42.140 0.05 1 899 . 81 LYS HE3 H 2.980 0.02 2 900 . 81 LYS C C 175.930 0.05 1 901 . 82 GLU N N 126.350 0.05 1 902 . 82 GLU H H 8.050 0.02 1 903 . 82 GLU CA C 58.200 0.05 1 904 . 82 GLU HA H 4.080 0.02 1 905 . 82 GLU CB C 31.120 0.05 1 906 . 82 GLU HB3 H 2.040 0.02 2 907 . 82 GLU HB2 H 1.920 0.02 2 908 . 82 GLU HG3 H 2.190 0.02 2 stop_ loop_ _Atom_shift_assign_ID_ambiguity 850 848 stop_ save_ save_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details 'No assignment was made on the first 20 amino acids.' loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name FCP1 _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 . 21 LEU CA C 55.61 0.05 1 2 . 21 LEU HA H 4.35 0.02 1 3 . 21 LEU CB C 42.39 0.05 1 4 . 21 LEU HB2 H 1.63 0.02 2 5 . 21 LEU CG C 26.99 0.05 1 6 . 21 LEU CD1 C 24.80 0.05 1 7 . 21 LEU HD1 H 0.89 0.02 1 8 . 21 LEU CD2 C 23.92 0.05 1 9 . 21 LEU HD2 H 0.89 0.02 1 10 . 21 LEU C C 177.56 0.05 1 11 . 22 GLY N N 110.90 0.05 1 12 . 22 GLY H H 8.53 0.02 1 13 . 22 GLY CA C 45.02 0.05 1 14 . 22 GLY HA2 H 3.90 0.02 2 15 . 22 GLY C C 173.30 0.05 1 16 . 23 ALA N N 124.79 0.05 1 17 . 23 ALA H H 8.05 0.02 1 18 . 23 ALA CA C 50.36 0.05 1 19 . 23 ALA CB C 18.27 0.05 1 20 . 24 PRO CA C 63.04 0.05 1 21 . 24 PRO HA H 4.40 0.02 1 22 . 24 PRO CB C 32.06 0.05 1 23 . 24 PRO HB2 H 2.28 0.02 2 24 . 24 PRO CG C 27.50 0.05 1 25 . 24 PRO HG3 H 1.92 0.02 2 26 . 24 PRO HG2 H 2.01 0.02 2 27 . 24 PRO CD C 50.44 0.05 1 28 . 24 PRO HD3 H 3.61 0.02 2 29 . 24 PRO HD2 H 3.78 0.02 2 30 . 24 PRO C C 176.82 0.05 1 31 . 25 ALA N N 124.56 0.05 1 32 . 25 ALA H H 8.47 0.02 1 33 . 25 ALA CA C 52.58 0.05 1 34 . 25 ALA CB C 19.22 0.05 1 35 . 25 ALA HB H 1.39 0.02 1 36 . 25 ALA C C 177.97 0.05 1 37 . 26 SER N N 115.01 0.05 1 38 . 26 SER H H 8.31 0.02 1 39 . 26 SER CA C 58.55 0.05 1 40 . 26 SER HA H 4.50 0.02 1 41 . 26 SER CB C 63.89 0.05 1 42 . 26 SER HB2 H 3.90 0.02 2 43 . 26 SER C C 175.13 0.05 1 44 . 27 SER N N 118.42 0.05 1 45 . 27 SER H H 8.48 0.02 1 46 . 27 SER CA C 58.36 0.05 1 47 . 27 SER HA H 4.44 0.02 1 48 . 27 SER CB C 64.14 0.05 1 49 . 27 SER HB2 H 3.85 0.02 2 50 . 27 SER C C 173.65 0.05 1 51 . 28 GLU N N 127.52 0.05 1 52 . 28 GLU H H 7.97 0.02 1 53 . 28 GLU CA C 58.17 0.05 1 54 . 28 GLU CB C 31.18 0.05 1 55 . 32 ALA CA C 52.56 0.05 1 56 . 32 ALA HA H 4.30 0.02 1 57 . 32 ALA CB C 19.19 0.05 1 58 . 32 ALA HB H 1.38 0.02 1 59 . 32 ALA C C 178.34 0.05 1 60 . 33 GLY N N 108.22 0.05 1 61 . 33 GLY H H 8.34 0.02 1 62 . 33 GLY CA C 45.42 0.05 1 63 . 33 GLY HA2 H 3.95 0.02 2 64 . 33 GLY C C 174.80 0.05 1 65 . 34 GLY N N 108.61 0.05 1 66 . 34 GLY H H 8.24 0.02 1 67 . 34 GLY CA C 45.36 0.05 1 68 . 34 GLY HA2 H 3.96 0.02 2 69 . 34 GLY C C 174.22 0.05 1 70 . 35 ARG N N 120.28 0.05 1 71 . 35 ARG H H 8.27 0.02 1 72 . 35 ARG CA C 55.99 0.05 1 73 . 35 ARG HA H 4.39 0.02 1 74 . 35 ARG CB C 31.06 0.05 1 75 . 35 ARG HB3 H 1.74 0.02 2 76 . 35 ARG HB2 H 1.88 0.02 2 77 . 35 ARG CG C 26.86 0.05 1 78 . 35 ARG HG2 H 1.62 0.02 2 79 . 35 ARG CD C 43.39 0.05 1 80 . 35 ARG HD2 H 3.17 0.02 2 81 . 35 ARG C C 176.65 0.05 1 82 . 36 GLY N N 109.98 0.05 1 83 . 36 GLY H H 8.33 0.02 1 84 . 36 GLY CA C 44.54 0.05 1 85 . 37 PRO CA C 63.36 0.05 1 86 . 37 PRO HA H 4.41 0.02 1 87 . 37 PRO CB C 32.16 0.05 1 88 . 37 PRO HB2 H 2.25 0.02 2 89 . 37 PRO CG C 27.25 0.05 1 90 . 37 PRO HG3 H 1.90 0.02 2 91 . 37 PRO HG2 H 1.97 0.02 2 92 . 37 PRO CD C 49.88 0.05 1 93 . 37 PRO HD2 H 3.60 0.02 2 94 . 37 PRO C C 177.36 0.05 1 95 . 38 ARG N N 121.00 0.05 1 96 . 38 ARG H H 8.51 0.02 1 97 . 38 ARG CA C 56.28 0.05 1 98 . 38 ARG HA H 4.31 0.02 1 99 . 38 ARG CB C 30.77 0.05 1 100 . 38 ARG HB2 H 1.86 0.02 2 101 . 38 ARG CG C 26.79 0.05 1 102 . 38 ARG HG2 H 1.75 0.02 2 103 . 38 ARG CD C 43.37 0.05 1 104 . 38 ARG HD2 H 3.18 0.02 2 105 . 38 ARG C C 176.97 0.05 1 106 . 39 GLY N N 109.57 0.05 1 107 . 39 GLY H H 8.37 0.02 1 108 . 39 GLY CA C 45.36 0.05 1 109 . 39 GLY HA2 H 3.99 0.02 2 110 . 39 GLY C C 173.31 0.05 1 111 . 40 HIS N N 125.41 0.05 1 112 . 40 HIS H H 7.80 0.02 1 113 . 40 HIS CA C 57.39 0.05 1 114 . 40 HIS CB C 31.52 0.05 1 115 . 42 ARG CA C 56.22 0.05 1 116 . 42 ARG HA H 4.27 0.02 1 117 . 42 ARG CB C 31.09 0.05 1 118 . 42 ARG HB2 H 1.77 0.02 2 119 . 42 ARG CG C 27.10 0.05 1 120 . 42 ARG HG2 H 1.60 0.02 2 121 . 42 ARG CD C 43.45 0.05 1 122 . 42 ARG HD2 H 3.16 0.02 2 123 . 42 ARG C C 176.11 0.05 1 124 . 43 LYS N N 123.34 0.05 1 125 . 43 LYS H H 8.46 0.02 1 126 . 43 LYS CA C 56.29 0.05 1 127 . 43 LYS HA H 4.37 0.02 1 128 . 43 LYS CB C 33.35 0.05 1 129 . 43 LYS HB2 H 1.82 0.02 2 130 . 43 LYS CG C 24.89 0.05 1 131 . 43 LYS HG2 H 1.68 0.02 2 132 . 43 LYS CD C 29.09 0.05 1 133 . 43 LYS HD2 H 1.41 0.02 2 134 . 43 LYS CE C 42.12 0.05 1 135 . 43 LYS HE2 H 2.97 0.02 2 136 . 43 LYS C C 176.26 0.05 1 137 . 44 LEU N N 124.40 0.05 1 138 . 44 LEU H H 8.51 0.02 1 139 . 44 LEU CA C 55.59 0.05 1 140 . 44 LEU HA H 4.27 0.02 1 141 . 44 LEU CB C 42.47 0.05 1 142 . 44 LEU HB2 H 1.59 0.02 2 143 . 44 LEU CG C 27.13 0.05 1 144 . 44 LEU HG H 1.59 0.02 1 145 . 44 LEU CD1 C 24.84 0.05 1 146 . 44 LEU HD1 H 0.86 0.02 1 147 . 44 LEU CD2 C 23.53 0.05 1 148 . 44 LEU HD2 H 0.86 0.02 1 149 . 44 LEU C C 177.16 0.05 1 150 . 45 ASN N N 118.42 0.05 1 151 . 45 ASN H H 8.48 0.02 1 152 . 45 ASN CA C 53.42 0.05 1 153 . 45 ASN HA H 4.65 0.02 1 154 . 45 ASN CB C 38.70 0.05 1 155 . 45 ASN HB2 H 2.82 0.02 2 156 . 45 ASN C C 175.28 0.05 1 157 . 46 GLU N N 120.72 0.05 1 158 . 46 GLU H H 8.36 0.02 1 159 . 46 GLU CA C 57.29 0.05 1 160 . 46 GLU HA H 4.21 0.02 1 161 . 46 GLU CB C 30.25 0.05 1 162 . 46 GLU HB2 H 1.93 0.02 2 163 . 46 GLU CG C 36.48 0.05 1 164 . 46 GLU HG2 H 2.24 0.02 2 165 . 46 GLU C C 176.80 0.05 1 166 . 47 GLU N N 120.86 0.05 1 167 . 47 GLU H H 8.43 0.02 1 168 . 47 GLU CA C 56.90 0.05 1 169 . 47 GLU HA H 4.25 0.02 1 170 . 47 GLU CB C 30.24 0.05 1 171 . 47 GLU HB2 H 1.88 0.02 2 172 . 47 GLU CG C 36.31 0.05 1 173 . 47 GLU HG2 H 2.23 0.02 2 174 . 47 GLU C C 176.25 0.05 1 175 . 48 ASP N N 121.00 0.05 1 176 . 48 ASP H H 8.32 0.02 1 177 . 48 ASP CA C 54.60 0.05 1 178 . 48 ASP HA H 4.55 0.02 1 179 . 48 ASP CB C 41.30 0.05 1 180 . 48 ASP HB3 H 2.61 0.02 2 181 . 48 ASP HB2 H 2.69 0.02 2 182 . 48 ASP C C 176.34 0.05 1 183 . 49 ALA N N 124.50 0.05 1 184 . 49 ALA H H 8.20 0.02 1 185 . 49 ALA CA C 53.04 0.05 1 186 . 49 ALA HA H 4.24 0.02 1 187 . 49 ALA CB C 19.14 0.05 1 188 . 49 ALA HB H 1.38 0.02 1 189 . 49 ALA C C 177.95 0.05 1 190 . 50 ALA N N 122.44 0.05 1 191 . 50 ALA H H 8.21 0.02 1 192 . 50 ALA CA C 52.92 0.05 1 193 . 50 ALA HA H 4.29 0.02 1 194 . 50 ALA CB C 19.06 0.05 1 195 . 50 ALA HB H 1.40 0.02 1 196 . 50 ALA C C 178.24 0.05 1 197 . 51 SER N N 114.78 0.05 1 198 . 51 SER H H 8.13 0.02 1 199 . 51 SER CA C 58.74 0.05 1 200 . 51 SER HA H 4.39 0.02 1 201 . 51 SER CB C 63.86 0.05 1 202 . 51 SER HB2 H 3.89 0.02 2 203 . 51 SER C C 175.08 0.05 1 204 . 52 GLU N N 122.72 0.05 1 205 . 52 GLU H H 8.40 0.02 1 206 . 52 GLU CA C 57.21 0.05 1 207 . 52 GLU HA H 4.27 0.02 1 208 . 52 GLU CB C 30.14 0.05 1 209 . 52 GLU HB3 H 1.97 0.02 2 210 . 52 GLU HB2 H 2.06 0.02 2 211 . 52 GLU CG C 36.29 0.05 1 212 . 52 GLU HG2 H 2.27 0.02 2 213 . 52 GLU C C 176.98 0.05 1 214 . 53 SER N N 116.07 0.05 1 215 . 53 SER H H 8.28 0.02 1 216 . 53 SER CA C 58.85 0.05 1 217 . 53 SER HA H 4.43 0.02 1 218 . 53 SER CB C 63.77 0.05 1 219 . 53 SER HB2 H 3.87 0.02 2 220 . 53 SER C C 174.90 0.05 1 221 . 54 SER N N 117.71 0.05 1 222 . 54 SER H H 8.25 0.02 1 223 . 54 SER CA C 58.69 0.05 1 224 . 54 SER HA H 4.44 0.02 1 225 . 54 SER CB C 63.75 0.05 1 226 . 54 SER HB2 H 3.89 0.02 2 227 . 54 SER C C 174.72 0.05 1 228 . 55 ARG N N 122.80 0.05 1 229 . 55 ARG H H 8.23 0.02 1 230 . 55 ARG CA C 56.46 0.05 1 231 . 55 ARG HA H 4.33 0.02 1 232 . 55 ARG CB C 30.82 0.05 1 233 . 55 ARG HB3 H 1.78 0.02 2 234 . 55 ARG HB2 H 1.87 0.02 2 235 . 55 ARG CG C 27.09 0.05 1 236 . 55 ARG HG2 H 1.63 0.02 2 237 . 55 ARG CD C 43.40 0.05 1 238 . 55 ARG HD2 H 3.18 0.02 2 239 . 55 ARG C C 176.51 0.05 1 240 . 56 GLU N N 121.64 0.05 1 241 . 56 GLU H H 8.40 0.02 1 242 . 56 GLU CA C 56.82 0.05 1 243 . 56 GLU HA H 4.29 0.02 1 244 . 56 GLU CB C 30.25 0.05 1 245 . 56 GLU HB3 H 1.95 0.02 2 246 . 56 GLU HB2 H 2.05 0.02 2 247 . 56 GLU CG C 36.34 0.05 1 248 . 56 GLU HG2 H 2.26 0.02 2 249 . 56 GLU C C 176.63 0.05 1 250 . 57 SER N N 116.67 0.05 1 251 . 57 SER H H 8.31 0.02 1 252 . 57 SER CA C 58.38 0.05 1 253 . 57 SER HA H 4.51 0.02 1 254 . 57 SER CB C 63.99 0.05 1 255 . 57 SER HB2 H 3.88 0.02 2 256 . 57 SER C C 174.80 0.05 1 257 . 58 SER N N 117.99 0.05 1 258 . 58 SER H H 8.43 0.02 1 259 . 58 SER CA C 58.37 0.05 1 260 . 58 SER HA H 4.48 0.02 1 261 . 58 SER CB C 63.93 0.05 1 262 . 58 SER HB2 H 3.87 0.02 2 263 . 58 SER C C 174.34 0.05 1 264 . 59 ASN N N 120.88 0.05 1 265 . 59 ASN H H 8.47 0.02 1 266 . 59 ASN CA C 53.49 0.05 1 267 . 59 ASN HA H 4.71 0.02 1 268 . 59 ASN CB C 39.07 0.05 1 269 . 59 ASN HB2 H 2.79 0.02 2 270 . 59 ASN C C 175.37 0.05 1 271 . 60 GLU N N 121.14 0.05 1 272 . 60 GLU H H 8.40 0.02 1 273 . 60 GLU CA C 57.07 0.05 1 274 . 60 GLU HA H 4.22 0.02 1 275 . 60 GLU CB C 30.15 0.05 1 276 . 60 GLU HB2 H 1.94 0.02 2 277 . 60 GLU CG C 36.41 0.05 1 278 . 60 GLU HG2 H 2.24 0.02 2 279 . 60 GLU C C 176.55 0.05 1 280 . 61 ASP N N 121.21 0.05 1 281 . 61 ASP H H 8.26 0.02 1 282 . 61 ASP CA C 54.53 0.05 1 283 . 61 ASP HA H 4.57 0.02 1 284 . 61 ASP CB C 41.36 0.05 1 285 . 61 ASP HB2 H 2.66 0.02 2 286 . 61 ASP C C 176.50 0.05 1 287 . 62 GLU N N 121.86 0.05 1 288 . 62 GLU H H 8.38 0.02 1 289 . 62 GLU CA C 57.16 0.05 1 290 . 62 GLU HA H 4.24 0.02 1 291 . 62 GLU CB C 30.18 0.05 1 292 . 62 GLU HB2 H 1.95 0.02 2 293 . 62 GLU CG C 36.35 0.05 1 294 . 62 GLU HG2 H 2.26 0.02 2 295 . 62 GLU C C 177.30 0.05 1 296 . 63 GLY N N 109.60 0.05 1 297 . 63 GLY H H 8.46 0.02 1 298 . 63 GLY CA C 45.54 0.05 1 299 . 63 GLY HA3 H 3.99 0.02 1 300 . 63 GLY HA2 H 3.99 0.02 1 301 . 63 GLY C C 174.41 0.05 1 302 . 64 SER N N 115.57 0.05 1 303 . 64 SER H H 8.17 0.02 1 304 . 64 SER CA C 58.40 0.05 1 305 . 64 SER HA H 4.49 0.02 1 306 . 64 SER CB C 63.95 0.05 1 307 . 64 SER HB3 H 3.88 0.02 1 308 . 64 SER HB2 H 3.88 0.02 1 309 . 64 SER C C 174.53 0.05 1 310 . 65 SER N N 117.70 0.05 1 311 . 65 SER H H 8.37 0.02 1 312 . 65 SER CA C 58.78 0.05 1 313 . 65 SER HA H 4.54 0.02 1 314 . 65 SER CB C 63.88 0.05 1 315 . 65 SER HB3 H 4.01 0.02 2 316 . 65 SER HB2 H 3.91 0.02 2 317 . 65 SER C C 175.21 0.05 1 318 . 66 SER N N 118.64 0.05 1 319 . 66 SER H H 8.58 0.02 1 320 . 66 SER CA C 59.70 0.05 1 321 . 66 SER HA H 4.50 0.02 1 322 . 66 SER CB C 63.59 0.05 1 323 . 66 SER HB3 H 4.03 0.02 2 324 . 66 SER HB2 H 3.95 0.02 2 325 . 66 SER C C 174.79 0.05 1 326 . 67 GLU N N 122.80 0.05 1 327 . 67 GLU H H 8.45 0.02 1 328 . 67 GLU CA C 59.15 0.05 1 329 . 67 GLU HA H 4.21 0.02 1 330 . 67 GLU CB C 29.61 0.05 1 331 . 67 GLU HB3 H 2.11 0.02 1 332 . 67 GLU HB2 H 2.11 0.02 1 333 . 67 GLU CG C 36.52 0.05 1 334 . 67 GLU HG3 H 2.32 0.02 1 335 . 67 GLU HG2 H 2.32 0.02 1 336 . 67 GLU C C 177.97 0.05 1 337 . 68 ALA N N 122.16 0.05 1 338 . 68 ALA H H 8.14 0.02 1 339 . 68 ALA CA C 55.27 0.05 1 340 . 68 ALA HA H 4.13 0.02 1 341 . 68 ALA CB C 18.40 0.05 1 342 . 68 ALA HB H 1.47 0.02 1 343 . 68 ALA C C 179.46 0.05 1 344 . 69 ASP N N 118.26 0.05 1 345 . 69 ASP H H 7.98 0.02 1 346 . 69 ASP CA C 57.74 0.05 1 347 . 69 ASP HA H 4.35 0.02 1 348 . 69 ASP CB C 40.78 0.05 1 349 . 69 ASP HB3 H 2.84 0.02 2 350 . 69 ASP HB2 H 2.67 0.02 2 351 . 69 ASP C C 178.98 0.05 1 352 . 70 GLU N N 120.11 0.05 1 353 . 70 GLU H H 8.08 0.02 1 354 . 70 GLU CA C 59.25 0.05 1 355 . 70 GLU HA H 4.08 0.02 1 356 . 70 GLU CB C 29.38 0.05 1 357 . 70 GLU HB3 H 2.14 0.02 1 358 . 70 GLU HB2 H 2.14 0.02 1 359 . 70 GLU CG C 36.11 0.05 1 360 . 70 GLU HG3 H 2.40 0.02 2 361 . 70 GLU HG2 H 2.34 0.02 2 362 . 70 GLU C C 180.06 0.05 1 363 . 71 MET N N 119.77 0.05 1 364 . 71 MET H H 8.41 0.02 1 365 . 71 MET CA C 59.25 0.05 1 366 . 71 MET HA H 4.11 0.02 1 367 . 71 MET CB C 34.91 0.05 1 368 . 71 MET HB3 H 2.25 0.02 2 369 . 71 MET HB2 H 1.90 0.02 2 370 . 71 MET CG C 32.55 0.05 1 371 . 71 MET HG3 H 2.39 0.02 2 372 . 71 MET HG2 H 2.83 0.02 2 373 . 71 MET CE C 17.08 0.05 1 374 . 71 MET HE H 2.12 0.02 1 375 . 71 MET C C 177.55 0.05 1 376 . 72 ALA N N 121.76 0.05 1 377 . 72 ALA H H 8.26 0.02 1 378 . 72 ALA CA C 55.79 0.05 1 379 . 72 ALA HA H 3.85 0.02 1 380 . 72 ALA CB C 17.87 0.05 1 381 . 72 ALA HB H 1.48 0.02 1 382 . 72 ALA C C 179.74 0.05 1 383 . 73 LYS N N 118.19 0.05 1 384 . 73 LYS H H 7.61 0.02 1 385 . 73 LYS CA C 59.27 0.05 1 386 . 73 LYS HA H 4.06 0.02 1 387 . 73 LYS CB C 32.55 0.05 1 388 . 73 LYS HB3 H 1.91 0.02 1 389 . 73 LYS HB2 H 1.91 0.02 1 390 . 73 LYS CG C 25.15 0.05 1 391 . 73 LYS HG3 H 1.63 0.02 2 392 . 73 LYS HG2 H 1.47 0.02 2 393 . 73 LYS CD C 29.47 0.05 1 394 . 73 LYS HD3 H 1.70 0.02 1 395 . 73 LYS HD2 H 1.70 0.02 1 396 . 73 LYS CE C 42.11 0.05 1 397 . 73 LYS HE3 H 2.97 0.02 2 398 . 73 LYS C C 179.40 0.05 1 399 . 74 ALA N N 122.80 0.05 1 400 . 74 ALA H H 7.74 0.02 1 401 . 74 ALA CA C 54.92 0.05 1 402 . 74 ALA HA H 4.21 0.02 1 403 . 74 ALA CB C 18.40 0.05 1 404 . 74 ALA HB H 1.58 0.02 1 405 . 74 ALA C C 180.26 0.05 1 406 . 75 LEU N N 120.01 0.05 1 407 . 75 LEU H H 8.62 0.02 1 408 . 75 LEU CA C 57.95 0.05 1 409 . 75 LEU HA H 4.06 0.02 1 410 . 75 LEU CB C 41.95 0.05 1 411 . 75 LEU HB3 H 1.98 0.02 2 412 . 75 LEU HB2 H 1.57 0.02 2 413 . 75 LEU CG C 27.74 0.05 1 414 . 75 LEU HG H 1.57 0.02 1 415 . 75 LEU CD1 C 26.34 0.05 1 416 . 75 LEU HD1 H 0.84 0.02 2 417 . 75 LEU CD2 C 23.87 0.05 1 418 . 75 LEU HD2 H 0.98 0.02 2 419 . 75 LEU C C 178.04 0.05 1 420 . 76 GLU N N 117.71 0.05 1 421 . 76 GLU H H 8.25 0.02 1 422 . 76 GLU CA C 60.60 0.05 1 423 . 76 GLU HA H 3.81 0.02 1 424 . 76 GLU CB C 29.21 0.05 1 425 . 76 GLU HB3 H 2.18 0.02 2 426 . 76 GLU HB2 H 2.08 0.02 2 427 . 76 GLU CG C 37.85 0.05 1 428 . 76 GLU HG3 H 2.65 0.02 2 429 . 76 GLU HG2 H 2.29 0.02 2 430 . 76 GLU C C 178.92 0.05 1 431 . 77 ALA N N 120.19 0.05 1 432 . 77 ALA H H 7.74 0.02 1 433 . 77 ALA CA C 54.98 0.05 1 434 . 77 ALA HA H 4.21 0.02 1 435 . 77 ALA CB C 17.98 0.05 1 436 . 77 ALA HB H 1.54 0.02 1 437 . 77 ALA C C 180.34 0.05 1 438 . 78 GLU N N 117.69 0.05 1 439 . 78 GLU H H 7.74 0.02 1 440 . 78 GLU CA C 58.27 0.05 1 441 . 78 GLU HA H 4.15 0.02 1 442 . 78 GLU CB C 29.65 0.05 1 443 . 78 GLU HB3 H 2.11 0.02 2 444 . 78 GLU HB2 H 2.08 0.02 2 445 . 78 GLU CG C 35.48 0.05 1 446 . 78 GLU HG3 H 2.33 0.02 2 447 . 78 GLU HG2 H 2.20 0.02 2 448 . 78 GLU C C 178.27 0.05 1 449 . 79 LEU N N 117.29 0.05 1 450 . 79 LEU H H 7.75 0.02 1 451 . 79 LEU CA C 55.39 0.05 1 452 . 79 LEU HA H 4.28 0.02 1 453 . 79 LEU CB C 41.71 0.05 1 454 . 79 LEU HB3 H 1.77 0.02 2 455 . 79 LEU HB2 H 1.70 0.02 2 456 . 79 LEU CG C 26.68 0.05 1 457 . 79 LEU HG H 1.84 0.02 1 458 . 79 LEU CD1 C 26.31 0.05 1 459 . 79 LEU HD1 H 0.73 0.02 2 460 . 79 LEU CD2 C 23.35 0.05 1 461 . 79 LEU HD2 H 0.81 0.02 2 462 . 79 LEU C C 177.80 0.05 1 463 . 80 ASN N N 117.96 0.05 1 464 . 80 ASN H H 7.74 0.02 1 465 . 80 ASN CA C 54.91 0.05 1 466 . 80 ASN HA H 4.62 0.02 1 467 . 80 ASN CB C 39.00 0.05 1 468 . 80 ASN HB3 H 2.88 0.02 1 469 . 80 ASN HB2 H 2.88 0.02 1 470 . 80 ASN HD21 H 7.62 0.02 2 471 . 80 ASN HD22 H 6.87 0.02 2 472 . 80 ASN C C 175.65 0.05 1 473 . 81 ASP N N 118.92 0.05 1 474 . 81 ASP H H 8.09 0.02 1 475 . 81 ASP CA C 54.91 0.05 1 476 . 81 ASP HA H 4.63 0.02 1 477 . 81 ASP CB C 40.80 0.05 1 478 . 81 ASP HB3 H 2.75 0.02 2 479 . 81 ASP HB2 H 2.69 0.02 2 480 . 81 ASP C C 176.24 0.05 1 481 . 82 LEU N N 120.77 0.05 1 482 . 82 LEU H H 7.86 0.02 1 483 . 82 LEU CA C 55.40 0.05 1 484 . 82 LEU HA H 4.37 0.02 1 485 . 82 LEU CB C 42.67 0.05 1 486 . 82 LEU HB3 H 1.72 0.02 2 487 . 82 LEU HB2 H 1.68 0.02 2 488 . 82 LEU CG C 27.06 0.05 1 489 . 82 LEU HG H 1.74 0.02 1 490 . 82 LEU CD1 C 25.68 0.05 1 491 . 82 LEU HD1 H 0.92 0.02 2 492 . 82 LEU CD2 C 23.60 0.05 1 493 . 82 LEU HD2 H 0.89 0.02 2 494 . 82 LEU C C 176.51 0.05 1 495 . 83 MET N N 125.25 0.05 1 496 . 83 MET H H 7.77 0.02 1 497 . 83 MET CA C 57.25 0.05 1 498 . 83 MET HA H 4.27 0.02 1 499 . 83 MET CB C 33.88 0.05 1 500 . 83 MET HB3 H 2.11 0.02 2 501 . 83 MET HB2 H 2.01 0.02 2 502 . 83 MET CG C 32.51 0.05 1 503 . 83 MET HG3 H 2.58 0.02 2 504 . 83 MET HG2 H 2.54 0.02 2 505 . 83 MET CE C 17.17 0.05 1 506 . 83 MET HE H 2.09 0.02 1 stop_ save_