data_16444 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Chemical Shifts of GB1-SC35 ; _BMRB_accession_number 16444 _BMRB_flat_file_name bmr16444.str _Entry_type original _Submission_date 2009-08-06 _Accession_date 2009-08-06 _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 Clayton Jonathan C. . 2 Goult Benjamin T. . 3 Lian Lu-Yun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 874 "13C chemical shifts" 668 "15N chemical shifts" 155 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-24 update BMRB 'update entry citation' 2010-10-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The (1)H, (13)C and (15)N backbone and side-chain assignment of the RRM domain of SC35, a regulator of pre-mRNA splicing.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20703835 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Clayton Jonathan C. . 2 Phelan Marie . . 3 Goult Benjamin T. . 4 Hautbergue Guillaume M. . 5 Wilson Stuart A. . 6 Lian Lu-Yun . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7 _Page_last 10 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SC35 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SC35 $SC35 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_SC35 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SC35 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; MQYKLILNGKTLKGETTTEA VDAATAEKVFKQYANDNGVD GEWTYDDATKTFTVTEGSHH HHHHMDVEGMTSLKVDNLTY RTSPDTLRRVFEKYGRVGDV YIPRDRYTKESRGFAFVRFH DKRDAEDAMDAMDGAVLDGR ELRVQMARYGRPPDSHHS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 TYR 4 LYS 5 LEU 6 ILE 7 LEU 8 ASN 9 GLY 10 LYS 11 THR 12 LEU 13 LYS 14 GLY 15 GLU 16 THR 17 THR 18 THR 19 GLU 20 ALA 21 VAL 22 ASP 23 ALA 24 ALA 25 THR 26 ALA 27 GLU 28 LYS 29 VAL 30 PHE 31 LYS 32 GLN 33 TYR 34 ALA 35 ASN 36 ASP 37 ASN 38 GLY 39 VAL 40 ASP 41 GLY 42 GLU 43 TRP 44 THR 45 TYR 46 ASP 47 ASP 48 ALA 49 THR 50 LYS 51 THR 52 PHE 53 THR 54 VAL 55 THR 56 GLU 57 GLY 58 SER 59 HIS 60 HIS 61 HIS 62 HIS 63 HIS 64 HIS 65 MET 66 ASP 67 VAL 68 GLU 69 GLY 70 MET 71 THR 72 SER 73 LEU 74 LYS 75 VAL 76 ASP 77 ASN 78 LEU 79 THR 80 TYR 81 ARG 82 THR 83 SER 84 PRO 85 ASP 86 THR 87 LEU 88 ARG 89 ARG 90 VAL 91 PHE 92 GLU 93 LYS 94 TYR 95 GLY 96 ARG 97 VAL 98 GLY 99 ASP 100 VAL 101 TYR 102 ILE 103 PRO 104 ARG 105 ASP 106 ARG 107 TYR 108 THR 109 LYS 110 GLU 111 SER 112 ARG 113 GLY 114 PHE 115 ALA 116 PHE 117 VAL 118 ARG 119 PHE 120 HIS 121 ASP 122 LYS 123 ARG 124 ASP 125 ALA 126 GLU 127 ASP 128 ALA 129 MET 130 ASP 131 ALA 132 MET 133 ASP 134 GLY 135 ALA 136 VAL 137 LEU 138 ASP 139 GLY 140 ARG 141 GLU 142 LEU 143 ARG 144 VAL 145 GLN 146 MET 147 ALA 148 ARG 149 TYR 150 GLY 151 ARG 152 PRO 153 PRO 154 ASP 155 SER 156 HIS 157 HIS 158 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 17705 SRSF2_RRM 58.86 135 100.00 100.00 2.09e-59 BMRB 17706 SRSF2_RRM 58.86 135 100.00 100.00 2.09e-59 BMRB 17707 SRSF2_RRM 58.86 135 100.00 100.00 2.09e-59 PDB 2KN4 "The Structure Of The Rrm Domain Of Sc35" 100.00 158 100.00 100.00 8.50e-112 PDB 2LEA "Solution Structure Of Human Srsf2 (Sc35) Rrm" 58.86 135 100.00 100.00 2.09e-59 PDB 2LEB "Solution Structure Of Human Srsf2 (Sc35) Rrm In Complex With 5'- Uccagu-3'" 58.86 135 100.00 100.00 2.09e-59 PDB 2LEC "Solution Structure Of Human Srsf2 (Sc35) Rrm In Complex With 5'- Uggagu-3'" 58.86 135 100.00 100.00 2.09e-59 DBJ BAC03903 "unnamed protein product [Homo sapiens]" 53.80 201 98.82 98.82 2.15e-54 DBJ BAC36346 "unnamed protein product [Mus musculus]" 58.86 254 100.00 100.00 2.03e-60 DBJ BAC39610 "unnamed protein product [Mus musculus]" 58.86 221 100.00 100.00 6.49e-62 DBJ BAC40111 "unnamed protein product [Mus musculus]" 58.86 221 100.00 100.00 6.49e-62 DBJ BAD74033 "arginine/serine-rich 2 splicing factor [Pan troglodytes verus]" 58.86 221 100.00 100.00 8.59e-62 EMBL CAA44306 "PR 264 [Gallus gallus]" 58.86 221 100.00 100.00 3.86e-62 EMBL CAA44307 "PR 264 [Homo sapiens]" 58.86 221 100.00 100.00 6.49e-62 EMBL CAA53383 "PR264/SC35 [Homo sapiens]" 58.86 221 100.00 100.00 6.49e-62 EMBL CAA67134 "PR264/SC35 [Mus musculus]" 58.86 121 100.00 100.00 6.91e-59 EMBL CAJ82901 "splicing factor, arginine/serine-rich 2 [Xenopus (Silurana) tropicalis]" 58.23 220 98.91 100.00 6.46e-61 GB AAA60306 "splicing factor [Homo sapiens]" 58.86 221 98.92 98.92 1.27e-60 GB AAC71000 "splicing factor SC35 [Mus musculus]" 58.86 221 100.00 100.00 6.49e-62 GB AAH00339 "SFRS2 protein [Homo sapiens]" 58.86 221 100.00 100.00 6.49e-62 GB AAH01303 "SFRS2 protein [Homo sapiens]" 58.86 221 100.00 100.00 6.49e-62 GB AAH05493 "Sfrs2 protein [Mus musculus]" 58.86 221 100.00 100.00 6.49e-62 PIR A42701 "splicing factor SFRS2 - human" 58.86 221 100.00 100.00 6.49e-62 PRF 1805195A "RNA-binding protein PR264 [Gallus gallus]" 58.86 221 100.00 100.00 3.86e-62 PRF 1805195B "RNA-binding protein PR264" 58.86 221 100.00 100.00 6.49e-62 REF NP_001001305 "serine/arginine-rich splicing factor 2 [Gallus gallus]" 58.86 221 100.00 100.00 3.86e-62 REF NP_001009720 "serine/arginine-rich splicing factor 2 [Rattus norvegicus]" 58.86 221 100.00 100.00 6.49e-62 REF NP_001029290 "serine/arginine-rich splicing factor 2 [Pan troglodytes]" 58.86 221 100.00 100.00 8.59e-62 REF NP_001029490 "serine/arginine-rich splicing factor 2 [Bos taurus]" 58.86 221 100.00 100.00 6.49e-62 REF NP_001070697 "serine/arginine-rich splicing factor 2 [Sus scrofa]" 58.86 221 100.00 100.00 5.95e-62 SP P30352 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Protein PR264; AltName: Full=Splicing component, 35 kDa; Al" 58.86 221 100.00 100.00 3.86e-62 SP Q01130 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Protein PR264; AltName: Full=Splicing component, 35 kDa; Al" 58.86 221 100.00 100.00 6.49e-62 SP Q06A98 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" 58.86 221 100.00 100.00 5.95e-62 SP Q3MHR5 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" 58.86 221 100.00 100.00 6.49e-62 SP Q5R1W5 "RecName: Full=Serine/arginine-rich splicing factor 2; AltName: Full=Splicing component, 35 kDa; AltName: Full=Splicing factor S" 58.86 221 100.00 100.00 8.59e-62 TPG DAA18198 "TPA: splicing factor, arginine/serine-rich 2 [Bos taurus]" 58.86 221 100.00 100.00 6.49e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SC35 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 $SC35 'recombinant technology' . Escherichia coli . pET24b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_cn_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SC35 0.5 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ save_cn_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SC35 0.5 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ save_n_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SC35 0.5 mM '[U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ save_un_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SC35 0.5 mM 'natural abundance' D2O 100 % 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ save_un_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SC35 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version 1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $cn_H2O save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $cn_D2O save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $cn_H2O save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $cn_H2O save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $cn_H2O save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $cn_H2O save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $cn_H2O save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $cn_H2O save_ save_3D_HBHANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $cn_H2O save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $cn_D2O save_ save_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $un_D2O save_ save_2D_1H-1H_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $un_D2O save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $n_H2O save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $cn_H2O save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $cn_D2O save_ save_3D_HN(CA)CO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $cn_H2O 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' 100 . mM pH 6.8 . pH pressure 1 . atm temperature 305 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HBHANH' '3D HN(CA)CO' stop_ loop_ _Sample_label $cn_H2O $cn_D2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SC35 _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 1 MET HA H 4.189 0.02 1 2 1 1 MET HB2 H 2.102 0.02 1 3 1 1 MET HB3 H 2.231 0.02 1 4 1 1 MET HE H 1.981 0.02 1 5 1 1 MET HG2 H 2.729 0.02 1 6 1 1 MET HG3 H 2.679 0.02 1 7 1 1 MET C C 170.121 0.2 1 8 1 1 MET CA C 54.809 0.2 1 9 1 1 MET CB C 32.863 0.2 1 10 1 1 MET CE C 16.946 0.2 1 11 1 1 MET CG C 29.559 0.2 1 12 2 2 GLN H H 8.347 0.02 1 13 2 2 GLN HA H 4.999 0.02 1 14 2 2 GLN HB2 H 1.996 0.02 1 15 2 2 GLN HB3 H 2.046 0.02 1 16 2 2 GLN HE21 H 6.890 0.02 1 17 2 2 GLN HE22 H 7.809 0.02 1 18 2 2 GLN HG2 H 2.377 0.02 1 19 2 2 GLN HG3 H 2.141 0.02 1 20 2 2 GLN C C 173.907 0.2 1 21 2 2 GLN CA C 55.959 0.2 1 22 2 2 GLN CB C 30.582 0.2 1 23 2 2 GLN CG C 35.099 0.2 1 24 2 2 GLN N N 123.504 0.2 1 25 2 2 GLN NE2 N 112.312 0.2 1 26 3 3 TYR H H 9.085 0.02 1 27 3 3 TYR HA H 5.381 0.02 1 28 3 3 TYR HB2 H 2.765 0.02 1 29 3 3 TYR HB3 H 3.416 0.02 1 30 3 3 TYR HD1 H 7.162 0.02 3 31 3 3 TYR HD2 H 7.162 0.02 3 32 3 3 TYR HE1 H 6.923 0.02 3 33 3 3 TYR HE2 H 6.923 0.02 3 34 3 3 TYR C C 173.891 0.2 1 35 3 3 TYR CA C 57.281 0.2 1 36 3 3 TYR CB C 43.678 0.2 1 37 3 3 TYR CD1 C 133.788 0.2 3 38 3 3 TYR CD2 C 133.788 0.2 3 39 3 3 TYR CE1 C 117.773 0.2 3 40 3 3 TYR CE2 C 117.773 0.2 3 41 3 3 TYR N N 124.510 0.2 1 42 4 4 LYS H H 9.084 0.02 1 43 4 4 LYS HA H 5.246 0.02 1 44 4 4 LYS HB2 H 1.907 0.02 1 45 4 4 LYS HB3 H 2.028 0.02 1 46 4 4 LYS HD2 H 1.633 0.02 1 47 4 4 LYS HD3 H 1.649 0.02 1 48 4 4 LYS HE2 H 2.778 0.02 1 49 4 4 LYS HE3 H 2.860 0.02 1 50 4 4 LYS HG2 H 1.358 0.02 1 51 4 4 LYS HG3 H 1.476 0.02 1 52 4 4 LYS C C 171.900 0.2 1 53 4 4 LYS CA C 55.155 0.2 1 54 4 4 LYS CB C 36.059 0.2 1 55 4 4 LYS CD C 29.001 0.2 1 56 4 4 LYS CE C 41.818 0.2 1 57 4 4 LYS CG C 25.548 0.2 1 58 4 4 LYS N N 122.361 0.2 1 59 5 5 LEU H H 8.614 0.02 1 60 5 5 LEU HA H 4.969 0.02 1 61 5 5 LEU HB2 H -1.110 0.02 1 62 5 5 LEU HB3 H 0.766 0.02 1 63 5 5 LEU HD1 H 0.542 0.02 1 64 5 5 LEU HD2 H 0.582 0.02 1 65 5 5 LEU HG H 0.875 0.02 1 66 5 5 LEU C C 173.662 0.2 1 67 5 5 LEU CA C 52.783 0.2 1 68 5 5 LEU CB C 42.781 0.2 1 69 5 5 LEU CD1 C 24.696 0.2 1 70 5 5 LEU CD2 C 26.016 0.2 1 71 5 5 LEU CG C 27.173 0.2 1 72 5 5 LEU N N 126.503 0.2 1 73 6 6 ILE H H 9.063 0.02 1 74 6 6 ILE HA H 4.352 0.02 1 75 6 6 ILE HB H 1.969 0.02 1 76 6 6 ILE HD1 H 0.779 0.02 1 77 6 6 ILE HG12 H 1.103 0.02 1 78 6 6 ILE HG13 H 1.412 0.02 1 79 6 6 ILE HG2 H 0.801 0.02 1 80 6 6 ILE C C 173.724 0.2 1 81 6 6 ILE CA C 60.270 0.2 1 82 6 6 ILE CB C 38.334 0.2 1 83 6 6 ILE CD1 C 12.720 0.2 1 84 6 6 ILE CG1 C 27.365 0.2 1 85 6 6 ILE CG2 C 17.136 0.2 1 86 6 6 ILE N N 126.291 0.2 1 87 7 7 LEU H H 8.685 0.02 1 88 7 7 LEU HA H 4.508 0.02 1 89 7 7 LEU HB2 H 1.447 0.02 1 90 7 7 LEU HB3 H 1.358 0.02 1 91 7 7 LEU HD1 H 0.745 0.02 1 92 7 7 LEU HD2 H 0.745 0.02 1 93 7 7 LEU HG H 1.289 0.02 1 94 7 7 LEU C C 173.811 0.2 1 95 7 7 LEU CA C 54.471 0.2 1 96 7 7 LEU CB C 42.366 0.2 1 97 7 7 LEU CD1 C 25.746 0.2 1 98 7 7 LEU CD2 C 25.746 0.2 1 99 7 7 LEU CG C 27.385 0.2 1 100 7 7 LEU N N 125.714 0.2 1 101 8 8 ASN H H 8.811 0.02 1 102 8 8 ASN HA H 5.246 0.02 1 103 8 8 ASN HB2 H 2.538 0.02 1 104 8 8 ASN HB3 H 2.947 0.02 1 105 8 8 ASN HD21 H 6.768 0.02 1 106 8 8 ASN HD22 H 7.102 0.02 1 107 8 8 ASN C C 174.400 0.2 1 108 8 8 ASN CA C 51.206 0.2 1 109 8 8 ASN CB C 38.161 0.2 1 110 8 8 ASN N N 125.445 0.2 1 111 8 8 ASN ND2 N 111.360 0.2 1 112 9 9 GLY H H 7.923 0.02 1 113 9 9 GLY HA2 H 4.484 0.02 1 114 9 9 GLY HA3 H 4.048 0.02 1 115 9 9 GLY C C 172.391 0.2 1 116 9 9 GLY CA C 44.739 0.2 1 117 9 9 GLY N N 109.908 0.2 1 118 10 10 LYS H H 9.205 0.02 1 119 10 10 LYS HA H 4.067 0.02 1 120 10 10 LYS HB2 H 1.804 0.02 1 121 10 10 LYS HB3 H 1.823 0.02 1 122 10 10 LYS HD2 H 1.665 0.02 1 123 10 10 LYS HD3 H 1.660 0.02 1 124 10 10 LYS HE2 H 2.936 0.02 1 125 10 10 LYS HE3 H 2.949 0.02 1 126 10 10 LYS HG2 H 1.417 0.02 1 127 10 10 LYS HG3 H 1.445 0.02 1 128 10 10 LYS C C 177.675 0.2 1 129 10 10 LYS CA C 59.094 0.2 1 130 10 10 LYS CB C 32.554 0.2 1 131 10 10 LYS CD C 28.877 0.2 1 132 10 10 LYS CE C 41.786 0.2 1 133 10 10 LYS CG C 25.121 0.2 1 134 10 10 LYS N N 121.184 0.2 1 135 11 11 THR H H 8.787 0.02 1 136 11 11 THR HA H 4.365 0.02 1 137 11 11 THR HB H 4.232 0.02 1 138 11 11 THR HG2 H 1.139 0.02 1 139 11 11 THR C C 172.885 0.2 1 140 11 11 THR CA C 61.971 0.2 1 141 11 11 THR CB C 69.630 0.2 1 142 11 11 THR CG2 C 21.847 0.2 1 143 11 11 THR N N 108.963 0.2 1 144 12 12 LEU H H 7.309 0.02 1 145 12 12 LEU HA H 4.449 0.02 1 146 12 12 LEU HB2 H 1.428 0.02 1 147 12 12 LEU HB3 H 1.541 0.02 1 148 12 12 LEU HD1 H 0.879 0.02 1 149 12 12 LEU HD2 H 0.797 0.02 1 150 12 12 LEU HG H 1.426 0.02 1 151 12 12 LEU C C 172.492 0.2 1 152 12 12 LEU CA C 55.133 0.2 1 153 12 12 LEU CB C 43.674 0.2 1 154 12 12 LEU CD1 C 24.171 0.2 1 155 12 12 LEU CD2 C 25.331 0.2 1 156 12 12 LEU CG C 27.344 0.2 1 157 12 12 LEU N N 124.683 0.2 1 158 13 13 LYS H H 8.085 0.02 1 159 13 13 LYS HA H 5.125 0.02 1 160 13 13 LYS HB2 H 1.736 0.02 1 161 13 13 LYS HB3 H 1.904 0.02 1 162 13 13 LYS HD2 H 1.685 0.02 1 163 13 13 LYS HD3 H 1.754 0.02 1 164 13 13 LYS HE2 H 2.937 0.02 1 165 13 13 LYS HE3 H 2.998 0.02 1 166 13 13 LYS HG2 H 1.461 0.02 1 167 13 13 LYS HG3 H 1.466 0.02 1 168 13 13 LYS C C 175.349 0.2 1 169 13 13 LYS CA C 54.012 0.2 1 170 13 13 LYS CB C 34.789 0.2 1 171 13 13 LYS CD C 29.141 0.2 1 172 13 13 LYS CE C 42.457 0.2 1 173 13 13 LYS CG C 25.151 0.2 1 174 13 13 LYS N N 123.832 0.2 1 175 14 14 GLY H H 8.394 0.02 1 176 14 14 GLY HA2 H 4.293 0.02 1 177 14 14 GLY HA3 H 4.169 0.02 1 178 14 14 GLY C C 170.370 0.2 1 179 14 14 GLY CA C 45.299 0.2 1 180 14 14 GLY N N 109.568 0.2 1 181 15 15 GLU H H 8.355 0.02 1 182 15 15 GLU HA H 5.614 0.02 1 183 15 15 GLU HB2 H 1.934 0.02 1 184 15 15 GLU HB3 H 2.021 0.02 1 185 15 15 GLU HG2 H 2.145 0.02 1 186 15 15 GLU HG3 H 2.145 0.02 1 187 15 15 GLU C C 174.376 0.2 1 188 15 15 GLU CA C 54.637 0.2 1 189 15 15 GLU CB C 33.956 0.2 1 190 15 15 GLU CG C 36.195 0.2 1 191 15 15 GLU N N 118.750 0.2 1 192 16 16 THR H H 8.761 0.02 1 193 16 16 THR HA H 4.738 0.02 1 194 16 16 THR HB H 3.907 0.02 1 195 16 16 THR HG2 H 0.435 0.02 1 196 16 16 THR C C 171.040 0.2 1 197 16 16 THR CA C 60.661 0.2 1 198 16 16 THR CB C 69.531 0.2 1 199 16 16 THR CG2 C 19.167 0.2 1 200 16 16 THR N N 116.034 0.2 1 201 17 17 THR H H 8.070 0.02 1 202 17 17 THR HA H 5.825 0.02 1 203 17 17 THR HB H 4.307 0.02 1 204 17 17 THR HG2 H 1.198 0.02 1 205 17 17 THR C C 173.127 0.2 1 206 17 17 THR CA C 59.871 0.2 1 207 17 17 THR CB C 73.291 0.2 1 208 17 17 THR CG2 C 21.466 0.2 1 209 17 17 THR N N 112.094 0.2 1 210 18 18 THR H H 8.975 0.02 1 211 18 18 THR HA H 4.687 0.02 1 212 18 18 THR HB H 3.859 0.02 1 213 18 18 THR HG2 H 0.500 0.02 1 214 18 18 THR C C 169.762 0.2 1 215 18 18 THR CA C 62.152 0.2 1 216 18 18 THR CB C 70.314 0.2 1 217 18 18 THR CG2 C 19.149 0.2 1 218 18 18 THR N N 114.759 0.2 1 219 19 19 GLU H H 7.928 0.02 1 220 19 19 GLU HA H 5.196 0.02 1 221 19 19 GLU HB2 H 1.953 0.02 1 222 19 19 GLU HB3 H 1.953 0.02 1 223 19 19 GLU HG2 H 2.060 0.02 1 224 19 19 GLU HG3 H 2.297 0.02 1 225 19 19 GLU C C 174.849 0.2 1 226 19 19 GLU CA C 54.413 0.2 1 227 19 19 GLU CB C 30.471 0.2 1 228 19 19 GLU CG C 35.806 0.2 1 229 19 19 GLU N N 126.084 0.2 1 230 20 20 ALA H H 9.296 0.02 1 231 20 20 ALA HA H 4.937 0.02 1 232 20 20 ALA HB H 1.349 0.02 1 233 20 20 ALA C C 176.601 0.2 1 234 20 20 ALA CA C 50.821 0.2 1 235 20 20 ALA CB C 23.738 0.2 1 236 20 20 ALA N N 127.333 0.2 1 237 21 21 VAL H H 8.462 0.02 1 238 21 21 VAL HA H 4.130 0.02 1 239 21 21 VAL HB H 2.220 0.02 1 240 21 21 VAL HG1 H 1.008 0.02 1 241 21 21 VAL HG2 H 1.009 0.02 1 242 21 21 VAL C C 174.069 0.2 1 243 21 21 VAL CA C 63.559 0.2 1 244 21 21 VAL CB C 32.141 0.2 1 245 21 21 VAL CG1 C 20.950 0.2 1 246 21 21 VAL CG2 C 20.115 0.2 1 247 21 21 VAL N N 115.865 0.2 1 248 22 22 ASP H H 7.340 0.02 1 249 22 22 ASP HA H 4.769 0.02 1 250 22 22 ASP HB2 H 2.988 0.02 1 251 22 22 ASP HB3 H 3.053 0.02 1 252 22 22 ASP C C 173.826 0.2 1 253 22 22 ASP CA C 52.524 0.2 1 254 22 22 ASP CB C 42.440 0.2 1 255 22 22 ASP N N 115.289 0.2 1 256 23 23 ALA H H 8.276 0.02 1 257 23 23 ALA HA H 3.337 0.02 1 258 23 23 ALA HB H 1.190 0.02 1 259 23 23 ALA C C 178.262 0.2 1 260 23 23 ALA CA C 54.580 0.2 1 261 23 23 ALA CB C 17.493 0.2 1 262 23 23 ALA N N 121.561 0.2 1 263 24 24 ALA H H 8.015 0.02 1 264 24 24 ALA HA H 3.971 0.02 1 265 24 24 ALA HB H 1.307 0.02 1 266 24 24 ALA C C 179.874 0.2 1 267 24 24 ALA CA C 54.761 0.2 1 268 24 24 ALA CB C 17.894 0.2 1 269 24 24 ALA N N 120.637 0.2 1 270 25 25 THR H H 8.274 0.02 1 271 25 25 THR HA H 3.710 0.02 1 272 25 25 THR HB H 4.034 0.02 1 273 25 25 THR HG2 H 1.232 0.02 1 274 25 25 THR C C 175.103 0.2 1 275 25 25 THR CA C 66.909 0.2 1 276 25 25 THR CB C 67.893 0.2 1 277 25 25 THR CG2 C 21.058 0.2 1 278 25 25 THR N N 116.441 0.2 1 279 26 26 ALA H H 7.158 0.02 1 280 26 26 ALA HA H 3.092 0.02 1 281 26 26 ALA HB H 0.531 0.02 1 282 26 26 ALA C C 176.116 0.2 1 283 26 26 ALA CA C 54.910 0.2 1 284 26 26 ALA CB C 17.536 0.2 1 285 26 26 ALA N N 123.675 0.2 1 286 27 27 GLU H H 8.305 0.02 1 287 27 27 GLU HA H 2.661 0.02 1 288 27 27 GLU HB2 H 1.850 0.02 1 289 27 27 GLU HB3 H 1.971 0.02 1 290 27 27 GLU HG2 H 1.623 0.02 1 291 27 27 GLU HG3 H 1.623 0.02 1 292 27 27 GLU C C 176.320 0.2 1 293 27 27 GLU CA C 59.737 0.2 1 294 27 27 GLU CB C 29.418 0.2 1 295 27 27 GLU CG C 35.948 0.2 1 296 27 27 GLU N N 116.704 0.2 1 297 28 28 LYS H H 6.965 0.02 1 298 28 28 LYS HA H 3.736 0.02 1 299 28 28 LYS HB2 H 1.842 0.02 1 300 28 28 LYS HB3 H 1.842 0.02 1 301 28 28 LYS HD2 H 1.606 0.02 1 302 28 28 LYS HD3 H 1.606 0.02 1 303 28 28 LYS HE2 H 2.889 0.02 1 304 28 28 LYS HE3 H 2.889 0.02 1 305 28 28 LYS HG2 H 1.338 0.02 1 306 28 28 LYS HG3 H 1.549 0.02 1 307 28 28 LYS C C 178.972 0.2 1 308 28 28 LYS CA C 59.744 0.2 1 309 28 28 LYS CB C 32.368 0.2 1 310 28 28 LYS CD C 29.225 0.2 1 311 28 28 LYS CE C 41.840 0.2 1 312 28 28 LYS CG C 25.084 0.2 1 313 28 28 LYS N N 116.755 0.2 1 314 29 29 VAL H H 7.340 0.02 1 315 29 29 VAL HA H 3.626 0.02 1 316 29 29 VAL HB H 1.757 0.02 1 317 29 29 VAL HG1 H 0.799 0.02 1 318 29 29 VAL HG2 H 0.908 0.02 1 319 29 29 VAL C C 178.859 0.2 1 320 29 29 VAL CA C 66.018 0.2 1 321 29 29 VAL CB C 31.593 0.2 1 322 29 29 VAL CG1 C 20.347 0.2 1 323 29 29 VAL CG2 C 21.773 0.2 1 324 29 29 VAL N N 120.600 0.2 1 325 30 30 PHE H H 8.514 0.02 1 326 30 30 PHE HA H 4.795 0.02 1 327 30 30 PHE HB2 H 2.861 0.02 1 328 30 30 PHE HB3 H 3.356 0.02 1 329 30 30 PHE HE1 H 7.087 0.02 3 330 30 30 PHE HE2 H 7.087 0.02 3 331 30 30 PHE HZ H 7.204 0.02 1 332 30 30 PHE C C 177.389 0.2 1 333 30 30 PHE CA C 56.624 0.2 1 334 30 30 PHE CB C 37.470 0.2 1 335 30 30 PHE CE1 C 130.538 0.2 3 336 30 30 PHE CE2 C 130.538 0.2 3 337 30 30 PHE CZ C 130.602 0.2 1 338 30 30 PHE N N 120.676 0.2 1 339 31 31 LYS H H 9.093 0.02 1 340 31 31 LYS HA H 4.181 0.02 1 341 31 31 LYS HB2 H 1.568 0.02 1 342 31 31 LYS HB3 H 1.693 0.02 1 343 31 31 LYS HD2 H 1.066 0.02 1 344 31 31 LYS HD3 H 1.130 0.02 1 345 31 31 LYS HE2 H 1.694 0.02 1 346 31 31 LYS HE3 H 1.917 0.02 1 347 31 31 LYS HG2 H 0.503 0.02 1 348 31 31 LYS HG3 H 0.833 0.02 1 349 31 31 LYS C C 178.569 0.2 1 350 31 31 LYS CA C 59.931 0.2 1 351 31 31 LYS CB C 31.663 0.2 1 352 31 31 LYS CD C 28.797 0.2 1 353 31 31 LYS CE C 41.188 0.2 1 354 31 31 LYS CG C 25.786 0.2 1 355 31 31 LYS N N 122.889 0.2 1 356 32 32 GLN H H 7.451 0.02 1 357 32 32 GLN HA H 4.063 0.02 1 358 32 32 GLN HB2 H 2.230 0.02 1 359 32 32 GLN HB3 H 2.269 0.02 1 360 32 32 GLN HE21 H 6.876 0.02 1 361 32 32 GLN HE22 H 7.906 0.02 1 362 32 32 GLN HG2 H 2.431 0.02 1 363 32 32 GLN HG3 H 2.468 0.02 1 364 32 32 GLN C C 176.112 0.2 1 365 32 32 GLN CA C 58.799 0.2 1 366 32 32 GLN CB C 28.272 0.2 1 367 32 32 GLN CG C 33.503 0.2 1 368 32 32 GLN N N 119.649 0.2 1 369 32 32 GLN NE2 N 114.972 0.2 1 370 33 33 TYR H H 8.252 0.02 1 371 33 33 TYR HA H 4.277 0.02 1 372 33 33 TYR HB2 H 3.320 0.02 1 373 33 33 TYR HB3 H 3.320 0.02 1 374 33 33 TYR HD1 H 6.996 0.02 3 375 33 33 TYR HD2 H 6.996 0.02 3 376 33 33 TYR HE1 H 6.745 0.02 3 377 33 33 TYR HE2 H 6.745 0.02 3 378 33 33 TYR C C 178.002 0.2 1 379 33 33 TYR CA C 61.885 0.2 1 380 33 33 TYR CB C 38.687 0.2 1 381 33 33 TYR CD1 C 132.711 0.2 3 382 33 33 TYR CD2 C 132.711 0.2 3 383 33 33 TYR CE1 C 118.287 0.2 3 384 33 33 TYR CE2 C 118.287 0.2 3 385 33 33 TYR N N 121.056 0.2 1 386 34 34 ALA H H 9.184 0.02 1 387 34 34 ALA HA H 3.816 0.02 1 388 34 34 ALA HB H 1.855 0.02 1 389 34 34 ALA C C 178.370 0.2 1 390 34 34 ALA CA C 56.264 0.2 1 391 34 34 ALA CB C 17.935 0.2 1 392 34 34 ALA N N 122.627 0.2 1 393 35 35 ASN H H 8.273 0.02 1 394 35 35 ASN HA H 4.451 0.02 1 395 35 35 ASN HB2 H 2.982 0.02 1 396 35 35 ASN HB3 H 2.936 0.02 1 397 35 35 ASN HD21 H 6.973 0.02 1 398 35 35 ASN HD22 H 7.614 0.02 1 399 35 35 ASN C C 178.360 0.2 1 400 35 35 ASN CA C 57.067 0.2 1 401 35 35 ASN CB C 38.822 0.2 1 402 35 35 ASN N N 117.715 0.2 1 403 35 35 ASN ND2 N 112.208 0.2 1 404 36 36 ASP H H 8.924 0.02 1 405 36 36 ASP HA H 4.396 0.02 1 406 36 36 ASP HB2 H 2.575 0.02 1 407 36 36 ASP HB3 H 2.744 0.02 1 408 36 36 ASP C C 176.125 0.2 1 409 36 36 ASP CA C 57.125 0.2 1 410 36 36 ASP CB C 40.089 0.2 1 411 36 36 ASP N N 121.545 0.2 1 412 37 37 ASN H H 7.391 0.02 1 413 37 37 ASN HA H 4.613 0.02 1 414 37 37 ASN HB2 H 2.696 0.02 1 415 37 37 ASN HB3 H 2.131 0.02 1 416 37 37 ASN HD21 H 6.648 0.02 1 417 37 37 ASN HD22 H 6.241 0.02 1 418 37 37 ASN C C 173.103 0.2 1 419 37 37 ASN CA C 53.709 0.2 1 420 37 37 ASN CB C 40.199 0.2 1 421 37 37 ASN N N 115.296 0.2 1 422 37 37 ASN ND2 N 114.699 0.2 1 423 38 38 GLY H H 7.818 0.02 1 424 38 38 GLY HA2 H 3.870 0.02 1 425 38 38 GLY HA3 H 3.926 0.02 1 426 38 38 GLY C C 173.176 0.2 1 427 38 38 GLY CA C 46.837 0.2 1 428 38 38 GLY N N 108.219 0.2 1 429 39 39 VAL H H 8.127 0.02 1 430 39 39 VAL HA H 4.162 0.02 1 431 39 39 VAL HB H 1.768 0.02 1 432 39 39 VAL HG1 H 0.834 0.02 1 433 39 39 VAL HG2 H 0.664 0.02 1 434 39 39 VAL C C 172.716 0.2 1 435 39 39 VAL CA C 61.998 0.2 1 436 39 39 VAL CB C 33.164 0.2 1 437 39 39 VAL CG1 C 21.717 0.2 1 438 39 39 VAL CG2 C 21.573 0.2 1 439 39 39 VAL N N 120.818 0.2 1 440 40 40 ASP H H 8.414 0.02 1 441 40 40 ASP HA H 4.891 0.02 1 442 40 40 ASP HB2 H 2.612 0.02 1 443 40 40 ASP HB3 H 2.697 0.02 1 444 40 40 ASP C C 173.703 0.2 1 445 40 40 ASP CA C 52.456 0.2 1 446 40 40 ASP CB C 43.334 0.2 1 447 40 40 ASP N N 127.228 0.2 1 448 41 41 GLY H H 7.964 0.02 1 449 41 41 GLY HA2 H 4.178 0.02 1 450 41 41 GLY HA3 H 3.779 0.02 1 451 41 41 GLY C C 170.813 0.2 1 452 41 41 GLY CA C 45.483 0.2 1 453 41 41 GLY N N 107.563 0.2 1 454 42 42 GLU H H 8.029 0.02 1 455 42 42 GLU HA H 4.705 0.02 1 456 42 42 GLU HB2 H 1.939 0.02 1 457 42 42 GLU HB3 H 2.055 0.02 1 458 42 42 GLU HG2 H 2.236 0.02 1 459 42 42 GLU HG3 H 2.342 0.02 1 460 42 42 GLU C C 175.863 0.2 1 461 42 42 GLU CA C 55.657 0.2 1 462 42 42 GLU CB C 31.671 0.2 1 463 42 42 GLU CG C 36.276 0.2 1 464 42 42 GLU N N 120.774 0.2 1 465 43 43 TRP H H 9.276 0.02 1 466 43 43 TRP HA H 5.377 0.02 1 467 43 43 TRP HB2 H 3.168 0.02 1 468 43 43 TRP HB3 H 3.378 0.02 1 469 43 43 TRP HD1 H 7.570 0.02 1 470 43 43 TRP HE1 H 10.488 0.02 1 471 43 43 TRP HE3 H 7.627 0.02 1 472 43 43 TRP HH2 H 6.768 0.02 1 473 43 43 TRP HZ2 H 7.348 0.02 1 474 43 43 TRP HZ3 H 6.644 0.02 1 475 43 43 TRP C C 175.977 0.2 1 476 43 43 TRP CA C 57.756 0.2 1 477 43 43 TRP CB C 30.601 0.2 1 478 43 43 TRP CD1 C 127.122 0.2 1 479 43 43 TRP CE3 C 119.637 0.2 1 480 43 43 TRP CH2 C 123.223 0.2 1 481 43 43 TRP CZ2 C 114.463 0.2 1 482 43 43 TRP CZ3 C 120.853 0.2 1 483 43 43 TRP N N 128.177 0.2 1 484 43 43 TRP NE1 N 130.679 0.2 1 485 44 44 THR H H 9.236 0.02 1 486 44 44 THR HA H 4.843 0.02 1 487 44 44 THR HB H 4.236 0.02 1 488 44 44 THR HG2 H 1.197 0.02 1 489 44 44 THR C C 171.712 0.2 1 490 44 44 THR CA C 60.585 0.2 1 491 44 44 THR CB C 72.245 0.2 1 492 44 44 THR CG2 C 21.822 0.2 1 493 44 44 THR N N 114.681 0.2 1 494 45 45 TYR H H 8.540 0.02 1 495 45 45 TYR HA H 4.982 0.02 1 496 45 45 TYR HB2 H 2.887 0.02 1 497 45 45 TYR HB3 H 2.523 0.02 1 498 45 45 TYR HD1 H 7.810 0.02 3 499 45 45 TYR HD2 H 7.810 0.02 3 500 45 45 TYR HE1 H 6.378 0.02 3 501 45 45 TYR HE2 H 6.378 0.02 3 502 45 45 TYR C C 172.210 0.2 1 503 45 45 TYR CA C 56.849 0.2 1 504 45 45 TYR CB C 41.473 0.2 1 505 45 45 TYR CD1 C 132.611 0.2 3 506 45 45 TYR CD2 C 132.611 0.2 3 507 45 45 TYR CE1 C 117.440 0.2 3 508 45 45 TYR CE2 C 117.440 0.2 3 509 45 45 TYR N N 121.033 0.2 1 510 46 46 ASP H H 7.645 0.02 1 511 46 46 ASP HA H 4.602 0.02 1 512 46 46 ASP HB2 H 2.275 0.02 1 513 46 46 ASP HB3 H 2.602 0.02 1 514 46 46 ASP C C 173.626 0.2 1 515 46 46 ASP CA C 51.824 0.2 1 516 46 46 ASP CB C 43.158 0.2 1 517 46 46 ASP N N 128.577 0.2 1 518 47 47 ASP H H 8.542 0.02 1 519 47 47 ASP HA H 4.162 0.02 1 520 47 47 ASP HB2 H 2.538 0.02 1 521 47 47 ASP HB3 H 2.832 0.02 1 522 47 47 ASP C C 177.017 0.2 1 523 47 47 ASP CA C 56.258 0.2 1 524 47 47 ASP CB C 42.207 0.2 1 525 47 47 ASP N N 124.962 0.2 1 526 48 48 ALA H H 8.302 0.02 1 527 48 48 ALA HA H 4.133 0.02 1 528 48 48 ALA HB H 1.521 0.02 1 529 48 48 ALA C C 178.897 0.2 1 530 48 48 ALA CA C 55.009 0.2 1 531 48 48 ALA CB C 18.321 0.2 1 532 48 48 ALA N N 119.932 0.2 1 533 49 49 THR H H 7.010 0.02 1 534 49 49 THR HA H 4.413 0.02 1 535 49 49 THR HB H 4.417 0.02 1 536 49 49 THR HG2 H 1.092 0.02 1 537 49 49 THR C C 174.347 0.2 1 538 49 49 THR CA C 60.445 0.2 1 539 49 49 THR CB C 70.274 0.2 1 540 49 49 THR CG2 C 21.219 0.2 1 541 49 49 THR N N 103.268 0.2 1 542 50 50 LYS H H 7.863 0.02 1 543 50 50 LYS HA H 4.197 0.02 1 544 50 50 LYS HB2 H 2.026 0.02 1 545 50 50 LYS HB3 H 2.091 0.02 1 546 50 50 LYS HD2 H 1.435 0.02 1 547 50 50 LYS HD3 H 1.713 0.02 1 548 50 50 LYS HE2 H 2.967 0.02 1 549 50 50 LYS HE3 H 3.095 0.02 1 550 50 50 LYS HG2 H 1.239 0.02 1 551 50 50 LYS HG3 H 1.392 0.02 1 552 50 50 LYS C C 174.075 0.2 1 553 50 50 LYS CA C 56.595 0.2 1 554 50 50 LYS CB C 29.239 0.2 1 555 50 50 LYS CD C 28.248 0.2 1 556 50 50 LYS CE C 42.766 0.2 1 557 50 50 LYS CG C 24.677 0.2 1 558 50 50 LYS N N 123.067 0.2 1 559 51 51 THR H H 7.382 0.02 1 560 51 51 THR HA H 5.508 0.02 1 561 51 51 THR HB H 3.773 0.02 1 562 51 51 THR HG2 H 1.017 0.02 1 563 51 51 THR C C 173.838 0.2 1 564 51 51 THR CA C 62.249 0.2 1 565 51 51 THR CB C 72.031 0.2 1 566 51 51 THR CG2 C 20.855 0.2 1 567 51 51 THR N N 111.246 0.2 1 568 52 52 PHE H H 10.366 0.02 1 569 52 52 PHE HA H 5.695 0.02 1 570 52 52 PHE HB2 H 3.307 0.02 1 571 52 52 PHE HB3 H 3.227 0.02 1 572 52 52 PHE HD1 H 7.809 0.02 3 573 52 52 PHE HD2 H 7.809 0.02 3 574 52 52 PHE HE1 H 7.168 0.02 3 575 52 52 PHE HE2 H 7.168 0.02 3 576 52 52 PHE HZ H 6.989 0.02 1 577 52 52 PHE C C 173.716 0.2 1 578 52 52 PHE CA C 57.197 0.2 1 579 52 52 PHE CB C 42.956 0.2 1 580 52 52 PHE CD1 C 131.908 0.2 3 581 52 52 PHE CD2 C 131.908 0.2 3 582 52 52 PHE CE1 C 131.306 0.2 3 583 52 52 PHE CE2 C 131.306 0.2 3 584 52 52 PHE CZ C 128.809 0.2 1 585 52 52 PHE N N 130.830 0.2 1 586 53 53 THR H H 9.088 0.02 1 587 53 53 THR HA H 5.216 0.02 1 588 53 53 THR HB H 3.839 0.02 1 589 53 53 THR HG2 H 0.966 0.02 1 590 53 53 THR C C 171.730 0.2 1 591 53 53 THR CA C 61.537 0.2 1 592 53 53 THR CB C 71.092 0.2 1 593 53 53 THR CG2 C 20.678 0.2 1 594 53 53 THR N N 117.037 0.2 1 595 54 54 VAL H H 8.208 0.02 1 596 54 54 VAL HA H 4.505 0.02 1 597 54 54 VAL HB H -0.211 0.02 1 598 54 54 VAL HG1 H -0.356 0.02 1 599 54 54 VAL HG2 H 0.383 0.02 1 600 54 54 VAL C C 172.375 0.2 1 601 54 54 VAL CA C 58.146 0.2 1 602 54 54 VAL CB C 32.424 0.2 1 603 54 54 VAL CG1 C 20.681 0.2 1 604 54 54 VAL CG2 C 19.812 0.2 1 605 54 54 VAL N N 123.372 0.2 1 606 55 55 THR H H 8.336 0.02 1 607 55 55 THR HA H 4.731 0.02 1 608 55 55 THR HB H 3.871 0.02 1 609 55 55 THR HG2 H 1.157 0.02 1 610 55 55 THR C C 173.539 0.2 1 611 55 55 THR CA C 60.947 0.2 1 612 55 55 THR CB C 70.534 0.2 1 613 55 55 THR CG2 C 21.309 0.2 1 614 55 55 THR N N 123.434 0.2 1 615 56 56 GLU H H 8.135 0.02 1 616 56 56 GLU HA H 4.521 0.02 1 617 56 56 GLU HB2 H 2.185 0.02 1 618 56 56 GLU HB3 H 2.051 0.02 1 619 56 56 GLU HG2 H 2.433 0.02 1 620 56 56 GLU HG3 H 2.477 0.02 1 621 56 56 GLU C C 175.150 0.2 1 622 56 56 GLU CA C 56.571 0.2 1 623 56 56 GLU CB C 31.959 0.2 1 624 56 56 GLU CG C 36.481 0.2 1 625 56 56 GLU N N 128.752 0.2 1 626 57 57 GLY H H 8.796 0.02 1 627 57 57 GLY HA2 H 3.996 0.02 1 628 57 57 GLY HA3 H 4.093 0.02 1 629 57 57 GLY C C 172.653 0.2 1 630 57 57 GLY CA C 45.205 0.2 1 631 57 57 GLY N N 112.718 0.2 1 632 58 58 SER H H 9.026 0.02 1 633 58 58 SER HB2 H 3.743 0.02 1 634 58 58 SER HB3 H 3.743 0.02 1 635 58 58 SER CB C 76.394 0.2 1 636 58 58 SER N N 122.462 0.2 1 637 64 64 HIS HA H 4.550 0.02 1 638 64 64 HIS HB2 H 2.984 0.02 1 639 64 64 HIS HB3 H 3.043 0.02 1 640 64 64 HIS HD2 H 6.931 0.02 1 641 64 64 HIS HE1 H 7.945 0.02 1 642 64 64 HIS C C 173.981 0.2 1 643 64 64 HIS CA C 56.103 0.2 1 644 64 64 HIS CB C 30.420 0.2 1 645 64 64 HIS CD2 C 119.606 0.2 1 646 64 64 HIS CE1 C 137.890 0.2 1 647 65 65 MET H H 8.196 0.02 1 648 65 65 MET HA H 4.336 0.02 1 649 65 65 MET HB2 H 1.853 0.02 1 650 65 65 MET HB3 H 1.933 0.02 1 651 65 65 MET HE H 2.171 0.02 1 652 65 65 MET HG2 H 2.325 0.02 1 653 65 65 MET HG3 H 2.391 0.02 1 654 65 65 MET C C 174.410 0.2 1 655 65 65 MET CA C 55.525 0.2 1 656 65 65 MET CB C 33.278 0.2 1 657 65 65 MET CE C 17.387 0.2 1 658 65 65 MET CG C 31.880 0.2 1 659 65 65 MET N N 121.181 0.2 1 660 66 66 ASP H H 8.322 0.02 1 661 66 66 ASP HA H 4.597 0.02 1 662 66 66 ASP HB2 H 2.549 0.02 1 663 66 66 ASP HB3 H 2.718 0.02 1 664 66 66 ASP C C 175.570 0.2 1 665 66 66 ASP CA C 54.018 0.2 1 666 66 66 ASP CB C 41.189 0.2 1 667 66 66 ASP N N 121.827 0.2 1 668 67 67 VAL H H 8.048 0.02 1 669 67 67 VAL HA H 4.050 0.02 1 670 67 67 VAL HB H 1.978 0.02 1 671 67 67 VAL HG1 H 0.791 0.02 1 672 67 67 VAL HG2 H 0.804 0.02 1 673 67 67 VAL C C 175.720 0.2 1 674 67 67 VAL CA C 62.504 0.2 1 675 67 67 VAL CB C 32.808 0.2 1 676 67 67 VAL CG1 C 20.104 0.2 1 677 67 67 VAL CG2 C 21.203 0.2 1 678 67 67 VAL N N 119.568 0.2 1 679 68 68 GLU H H 8.411 0.02 1 680 68 68 GLU HA H 4.119 0.02 1 681 68 68 GLU HB2 H 1.980 0.02 1 682 68 68 GLU HB3 H 2.023 0.02 1 683 68 68 GLU HG2 H 2.254 0.02 1 684 68 68 GLU HG3 H 2.254 0.02 1 685 68 68 GLU C C 176.196 0.2 1 686 68 68 GLU CA C 57.846 0.2 1 687 68 68 GLU CB C 29.851 0.2 1 688 68 68 GLU CG C 36.462 0.2 1 689 68 68 GLU N N 123.091 0.2 1 690 69 69 GLY H H 8.284 0.02 1 691 69 69 GLY HA2 H 3.988 0.02 1 692 69 69 GLY HA3 H 3.961 0.02 1 693 69 69 GLY C C 173.461 0.2 1 694 69 69 GLY CA C 45.236 0.2 1 695 69 69 GLY N N 108.621 0.2 1 696 70 70 MET H H 7.752 0.02 1 697 70 70 MET HA H 4.680 0.02 1 698 70 70 MET HB2 H 1.766 0.02 1 699 70 70 MET HB3 H 1.867 0.02 1 700 70 70 MET HE H 1.696 0.02 1 701 70 70 MET HG2 H 2.260 0.02 1 702 70 70 MET HG3 H 2.480 0.02 1 703 70 70 MET C C 174.855 0.2 1 704 70 70 MET CA C 55.789 0.2 1 705 70 70 MET CB C 34.423 0.2 1 706 70 70 MET CE C 17.838 0.2 1 707 70 70 MET CG C 33.525 0.2 1 708 70 70 MET N N 118.353 0.2 1 709 71 71 THR H H 8.866 0.02 1 710 71 71 THR HA H 4.541 0.02 1 711 71 71 THR HB H 3.852 0.02 1 712 71 71 THR HG2 H 1.200 0.02 1 713 71 71 THR C C 173.283 0.2 1 714 71 71 THR CA C 63.090 0.2 1 715 71 71 THR CB C 70.507 0.2 1 716 71 71 THR CG2 C 22.137 0.2 1 717 71 71 THR N N 117.776 0.2 1 718 72 72 SER H H 8.982 0.02 1 719 72 72 SER HA H 5.351 0.02 1 720 72 72 SER HB2 H 3.627 0.02 1 721 72 72 SER HB3 H 3.929 0.02 1 722 72 72 SER C C 171.698 0.2 1 723 72 72 SER CA C 58.616 0.2 1 724 72 72 SER CB C 64.886 0.2 1 725 72 72 SER N N 122.227 0.2 1 726 73 73 LEU H H 9.335 0.02 1 727 73 73 LEU HA H 5.137 0.02 1 728 73 73 LEU HB2 H 1.234 0.02 1 729 73 73 LEU HB3 H 1.695 0.02 1 730 73 73 LEU HD1 H 0.879 0.02 1 731 73 73 LEU HD2 H 0.879 0.02 1 732 73 73 LEU HG H 0.939 0.02 1 733 73 73 LEU C C 175.185 0.2 1 734 73 73 LEU CA C 52.776 0.2 1 735 73 73 LEU CB C 44.150 0.2 1 736 73 73 LEU CD1 C 23.522 0.2 1 737 73 73 LEU CD2 C 23.522 0.2 1 738 73 73 LEU CG C 26.844 0.2 1 739 73 73 LEU N N 123.004 0.2 1 740 74 74 LYS H H 9.306 0.02 1 741 74 74 LYS HA H 4.830 0.02 1 742 74 74 LYS HB2 H 1.415 0.02 1 743 74 74 LYS HB3 H 1.713 0.02 1 744 74 74 LYS HD2 H 1.395 0.02 1 745 74 74 LYS HD3 H 1.456 0.02 1 746 74 74 LYS HE2 H 2.257 0.02 1 747 74 74 LYS HE3 H 2.257 0.02 1 748 74 74 LYS HG2 H 1.055 0.02 1 749 74 74 LYS HG3 H 1.055 0.02 1 750 74 74 LYS C C 173.804 0.2 1 751 74 74 LYS CA C 55.208 0.2 1 752 74 74 LYS CB C 34.986 0.2 1 753 74 74 LYS CD C 29.685 0.2 1 754 74 74 LYS CE C 41.365 0.2 1 755 74 74 LYS CG C 25.648 0.2 1 756 74 74 LYS N N 123.440 0.2 1 757 75 75 VAL H H 9.241 0.02 1 758 75 75 VAL HA H 4.776 0.02 1 759 75 75 VAL HB H 1.889 0.02 1 760 75 75 VAL HG1 H 0.746 0.02 1 761 75 75 VAL HG2 H 1.022 0.02 1 762 75 75 VAL C C 172.662 0.2 1 763 75 75 VAL CA C 60.945 0.2 1 764 75 75 VAL CB C 33.391 0.2 1 765 75 75 VAL CG1 C 21.568 0.2 1 766 75 75 VAL CG2 C 22.953 0.2 1 767 75 75 VAL N N 129.625 0.2 1 768 76 76 ASP H H 9.428 0.02 1 769 76 76 ASP HA H 5.323 0.02 1 770 76 76 ASP HB2 H 2.489 0.02 1 771 76 76 ASP HB3 H 2.718 0.02 1 772 76 76 ASP C C 174.348 0.2 1 773 76 76 ASP CA C 52.673 0.2 1 774 76 76 ASP CB C 45.477 0.2 1 775 76 76 ASP N N 126.159 0.2 1 776 77 77 ASN H H 8.792 0.02 1 777 77 77 ASN HA H 4.504 0.02 1 778 77 77 ASN HB2 H 2.742 0.02 1 779 77 77 ASN HB3 H 3.682 0.02 1 780 77 77 ASN HD21 H 6.807 0.02 1 781 77 77 ASN HD22 H 8.229 0.02 1 782 77 77 ASN C C 173.554 0.2 1 783 77 77 ASN CA C 53.664 0.2 1 784 77 77 ASN CB C 37.665 0.2 1 785 77 77 ASN N N 113.788 0.2 1 786 77 77 ASN ND2 N 111.757 0.2 1 787 78 78 LEU H H 7.680 0.02 1 788 78 78 LEU HA H 4.415 0.02 1 789 78 78 LEU HB2 H 1.245 0.02 1 790 78 78 LEU HB3 H 1.383 0.02 1 791 78 78 LEU HD1 H 0.628 0.02 1 792 78 78 LEU HD2 H 0.628 0.02 1 793 78 78 LEU HG H 0.817 0.02 1 794 78 78 LEU C C 178.276 0.2 1 795 78 78 LEU CA C 53.769 0.2 1 796 78 78 LEU CB C 43.936 0.2 1 797 78 78 LEU CD1 C 27.210 0.2 1 798 78 78 LEU CD2 C 27.210 0.2 1 799 78 78 LEU CG C 24.660 0.2 1 800 78 78 LEU N N 115.249 0.2 1 801 79 79 THR H H 8.431 0.02 1 802 79 79 THR HA H 4.417 0.02 1 803 79 79 THR HB H 4.453 0.02 1 804 79 79 THR HG2 H 1.404 0.02 1 805 79 79 THR C C 176.487 0.2 1 806 79 79 THR CA C 60.856 0.2 1 807 79 79 THR CB C 70.789 0.2 1 808 79 79 THR CG2 C 22.794 0.2 1 809 79 79 THR N N 111.713 0.2 1 810 80 80 TYR H H 7.116 0.02 1 811 80 80 TYR HA H 4.334 0.02 1 812 80 80 TYR HB2 H 3.104 0.02 1 813 80 80 TYR HB3 H 3.201 0.02 1 814 80 80 TYR HD1 H 7.111 0.02 3 815 80 80 TYR HD2 H 7.111 0.02 3 816 80 80 TYR HE1 H 6.809 0.02 3 817 80 80 TYR HE2 H 6.809 0.02 3 818 80 80 TYR C C 175.235 0.2 1 819 80 80 TYR CA C 59.285 0.2 1 820 80 80 TYR CB C 36.960 0.2 1 821 80 80 TYR CD1 C 132.695 0.2 3 822 80 80 TYR CD2 C 132.695 0.2 3 823 80 80 TYR CE1 C 118.239 0.2 3 824 80 80 TYR CE2 C 118.239 0.2 3 825 80 80 TYR N N 119.675 0.2 1 826 81 81 ARG H H 7.398 0.02 1 827 81 81 ARG HA H 4.252 0.02 1 828 81 81 ARG HB2 H 1.700 0.02 1 829 81 81 ARG HB3 H 1.791 0.02 1 830 81 81 ARG HD2 H 3.092 0.02 1 831 81 81 ARG HD3 H 3.092 0.02 1 832 81 81 ARG HG2 H 1.218 0.02 1 833 81 81 ARG HG3 H 1.439 0.02 1 834 81 81 ARG C C 175.493 0.2 1 835 81 81 ARG CA C 55.891 0.2 1 836 81 81 ARG CB C 30.024 0.2 1 837 81 81 ARG CD C 43.484 0.2 1 838 81 81 ARG CG C 26.057 0.2 1 839 81 81 ARG N N 114.988 0.2 1 840 82 82 THR H H 7.390 0.02 1 841 82 82 THR HA H 4.073 0.02 1 842 82 82 THR HB H 4.065 0.02 1 843 82 82 THR HG2 H 1.146 0.02 1 844 82 82 THR C C 172.331 0.2 1 845 82 82 THR CA C 64.700 0.2 1 846 82 82 THR CB C 68.275 0.2 1 847 82 82 THR CG2 C 21.807 0.2 1 848 82 82 THR N N 119.123 0.2 1 849 83 83 SER H H 8.457 0.02 1 850 83 83 SER HA H 4.866 0.02 1 851 83 83 SER HB2 H 3.984 0.02 1 852 83 83 SER HB3 H 4.413 0.02 1 853 83 83 SER C C 172.382 0.2 1 854 83 83 SER CA C 55.531 0.2 1 855 83 83 SER CB C 64.331 0.2 1 856 83 83 SER N N 124.663 0.2 1 857 84 84 PRO HA H 4.085 0.02 1 858 84 84 PRO HB2 H 2.065 0.02 1 859 84 84 PRO HB3 H 2.207 0.02 1 860 84 84 PRO HD2 H 4.045 0.02 1 861 84 84 PRO HD3 H 3.823 0.02 1 862 84 84 PRO HG2 H 2.308 0.02 1 863 84 84 PRO HG3 H 1.941 0.02 1 864 84 84 PRO C C 177.213 0.2 1 865 84 84 PRO CA C 65.855 0.2 1 866 84 84 PRO CB C 31.643 0.2 1 867 84 84 PRO CD C 50.658 0.2 1 868 84 84 PRO CG C 28.138 0.2 1 869 85 85 ASP H H 8.060 0.02 1 870 85 85 ASP HA H 4.401 0.02 1 871 85 85 ASP HB2 H 2.643 0.02 1 872 85 85 ASP HB3 H 2.643 0.02 1 873 85 85 ASP C C 177.356 0.2 1 874 85 85 ASP CA C 57.405 0.2 1 875 85 85 ASP CB C 40.914 0.2 1 876 85 85 ASP N N 115.817 0.2 1 877 86 86 THR H H 7.839 0.02 1 878 86 86 THR HA H 3.930 0.02 1 879 86 86 THR HB H 4.358 0.02 1 880 86 86 THR HG2 H 1.279 0.02 1 881 86 86 THR C C 175.149 0.2 1 882 86 86 THR CA C 66.328 0.2 1 883 86 86 THR CB C 68.195 0.2 1 884 86 86 THR CG2 C 22.130 0.2 1 885 86 86 THR N N 118.424 0.2 1 886 87 87 LEU H H 7.625 0.02 1 887 87 87 LEU HA H 4.077 0.02 1 888 87 87 LEU HB2 H 1.797 0.02 1 889 87 87 LEU HB3 H 1.414 0.02 1 890 87 87 LEU HD1 H 0.703 0.02 1 891 87 87 LEU HD2 H 0.718 0.02 1 892 87 87 LEU HG H 1.617 0.02 1 893 87 87 LEU C C 177.448 0.2 1 894 87 87 LEU CA C 57.697 0.2 1 895 87 87 LEU CB C 42.507 0.2 1 896 87 87 LEU CD1 C 25.860 0.2 1 897 87 87 LEU CD2 C 24.405 0.2 1 898 87 87 LEU CG C 26.652 0.2 1 899 87 87 LEU N N 119.242 0.2 1 900 88 88 ARG H H 8.603 0.02 1 901 88 88 ARG HA H 3.666 0.02 1 902 88 88 ARG HB2 H 1.954 0.02 1 903 88 88 ARG HB3 H 2.020 0.02 1 904 88 88 ARG HD2 H 3.146 0.02 1 905 88 88 ARG HD3 H 3.315 0.02 1 906 88 88 ARG HG2 H 1.382 0.02 1 907 88 88 ARG HG3 H 1.490 0.02 1 908 88 88 ARG C C 175.896 0.2 1 909 88 88 ARG CA C 61.018 0.2 1 910 88 88 ARG CB C 30.224 0.2 1 911 88 88 ARG CD C 43.105 0.2 1 912 88 88 ARG CG C 28.102 0.2 1 913 88 88 ARG N N 118.881 0.2 1 914 89 89 ARG H H 7.768 0.02 1 915 89 89 ARG HA H 4.098 0.02 1 916 89 89 ARG HB2 H 1.970 0.02 1 917 89 89 ARG HB3 H 1.970 0.02 1 918 89 89 ARG HD2 H 3.227 0.02 1 919 89 89 ARG HD3 H 3.227 0.02 1 920 89 89 ARG HG2 H 1.711 0.02 1 921 89 89 ARG HG3 H 1.809 0.02 1 922 89 89 ARG C C 178.236 0.2 1 923 89 89 ARG CA C 59.319 0.2 1 924 89 89 ARG CB C 30.261 0.2 1 925 89 89 ARG CD C 43.339 0.2 1 926 89 89 ARG CG C 27.614 0.2 1 927 89 89 ARG N N 116.020 0.2 1 928 90 90 VAL H H 7.858 0.02 1 929 90 90 VAL HA H 3.880 0.02 1 930 90 90 VAL HB H 2.216 0.02 1 931 90 90 VAL HG1 H 0.792 0.02 1 932 90 90 VAL HG2 H 1.107 0.02 1 933 90 90 VAL C C 176.964 0.2 1 934 90 90 VAL CA C 65.464 0.2 1 935 90 90 VAL CB C 32.296 0.2 1 936 90 90 VAL CG1 C 21.432 0.2 1 937 90 90 VAL CG2 C 21.992 0.2 1 938 90 90 VAL N N 115.768 0.2 1 939 91 91 PHE H H 8.251 0.02 1 940 91 91 PHE HA H 4.534 0.02 1 941 91 91 PHE HB2 H 3.031 0.02 1 942 91 91 PHE HB3 H 3.218 0.02 1 943 91 91 PHE HD1 H 7.759 0.02 3 944 91 91 PHE HD2 H 7.759 0.02 3 945 91 91 PHE HE1 H 7.023 0.02 3 946 91 91 PHE HE2 H 7.023 0.02 3 947 91 91 PHE HZ H 7.084 0.02 1 948 91 91 PHE C C 176.571 0.2 1 949 91 91 PHE CA C 62.864 0.2 1 950 91 91 PHE CB C 38.776 0.2 1 951 91 91 PHE CD1 C 132.041 0.2 3 952 91 91 PHE CD2 C 132.041 0.2 3 953 91 91 PHE CE1 C 130.583 0.2 3 954 91 91 PHE CE2 C 130.583 0.2 3 955 91 91 PHE CZ C 131.378 0.2 1 956 91 91 PHE N N 116.162 0.2 1 957 92 92 GLU H H 8.723 0.02 1 958 92 92 GLU HA H 5.071 0.02 1 959 92 92 GLU HB2 H 2.105 0.02 1 960 92 92 GLU HB3 H 2.266 0.02 1 961 92 92 GLU HG2 H 2.474 0.02 1 962 92 92 GLU HG3 H 2.545 0.02 1 963 92 92 GLU C C 176.732 0.2 1 964 92 92 GLU CA C 57.566 0.2 1 965 92 92 GLU CB C 28.810 0.2 1 966 92 92 GLU CG C 37.468 0.2 1 967 92 92 GLU N N 119.344 0.2 1 968 93 93 LYS H H 6.896 0.02 1 969 93 93 LYS HA H 3.914 0.02 1 970 93 93 LYS HB2 H 1.154 0.02 1 971 93 93 LYS HB3 H 1.459 0.02 1 972 93 93 LYS HD2 H 1.513 0.02 1 973 93 93 LYS HD3 H 1.556 0.02 1 974 93 93 LYS HE2 H 2.884 0.02 1 975 93 93 LYS HE3 H 2.884 0.02 1 976 93 93 LYS HG2 H 1.145 0.02 1 977 93 93 LYS HG3 H 0.951 0.02 1 978 93 93 LYS C C 176.271 0.2 1 979 93 93 LYS CA C 58.125 0.2 1 980 93 93 LYS CB C 31.909 0.2 1 981 93 93 LYS CD C 28.622 0.2 1 982 93 93 LYS CE C 41.793 0.2 1 983 93 93 LYS CG C 24.308 0.2 1 984 93 93 LYS N N 118.414 0.2 1 985 94 94 TYR H H 7.672 0.02 1 986 94 94 TYR HA H 4.332 0.02 1 987 94 94 TYR HB2 H 2.849 0.02 1 988 94 94 TYR HB3 H 3.402 0.02 1 989 94 94 TYR HD1 H 7.286 0.02 3 990 94 94 TYR HD2 H 7.286 0.02 3 991 94 94 TYR HE1 H 6.638 0.02 3 992 94 94 TYR HE2 H 6.638 0.02 3 993 94 94 TYR C C 173.364 0.2 1 994 94 94 TYR CA C 58.998 0.2 1 995 94 94 TYR CB C 39.375 0.2 1 996 94 94 TYR CD1 C 132.801 0.2 3 997 94 94 TYR CD2 C 132.801 0.2 3 998 94 94 TYR CE1 C 118.347 0.2 3 999 94 94 TYR CE2 C 118.347 0.2 3 1000 94 94 TYR N N 115.228 0.2 1 1001 95 95 GLY H H 7.377 0.02 1 1002 95 95 GLY HA2 H 3.861 0.02 1 1003 95 95 GLY HA3 H 4.739 0.02 1 1004 95 95 GLY C C 170.473 0.2 1 1005 95 95 GLY CA C 44.261 0.2 1 1006 95 95 GLY N N 104.816 0.2 1 1007 96 96 ARG H H 7.973 0.02 1 1008 96 96 ARG HA H 4.340 0.02 1 1009 96 96 ARG HB2 H 1.803 0.02 1 1010 96 96 ARG HB3 H 1.892 0.02 1 1011 96 96 ARG HD2 H 3.107 0.02 1 1012 96 96 ARG HD3 H 3.107 0.02 1 1013 96 96 ARG HG2 H 1.551 0.02 1 1014 96 96 ARG HG3 H 1.551 0.02 1 1015 96 96 ARG C C 175.939 0.2 1 1016 96 96 ARG CA C 57.446 0.2 1 1017 96 96 ARG CB C 30.712 0.2 1 1018 96 96 ARG CD C 43.371 0.2 1 1019 96 96 ARG CG C 26.984 0.2 1 1020 96 96 ARG N N 115.749 0.2 1 1021 97 97 VAL H H 8.877 0.02 1 1022 97 97 VAL HA H 3.762 0.02 1 1023 97 97 VAL HB H 1.864 0.02 1 1024 97 97 VAL HG1 H 0.429 0.02 1 1025 97 97 VAL HG2 H 0.532 0.02 1 1026 97 97 VAL C C 175.748 0.2 1 1027 97 97 VAL CA C 61.745 0.2 1 1028 97 97 VAL CB C 33.439 0.2 1 1029 97 97 VAL CG1 C 22.075 0.2 1 1030 97 97 VAL CG2 C 22.301 0.2 1 1031 97 97 VAL N N 129.345 0.2 1 1032 98 98 GLY H H 9.047 0.02 1 1033 98 98 GLY HA2 H 4.326 0.02 1 1034 98 98 GLY HA3 H 3.319 0.02 1 1035 98 98 GLY C C 172.142 0.2 1 1036 98 98 GLY CA C 45.967 0.2 1 1037 98 98 GLY N N 115.216 0.2 1 1038 99 99 ASP H H 7.387 0.02 1 1039 99 99 ASP HA H 4.667 0.02 1 1040 99 99 ASP HB2 H 2.144 0.02 1 1041 99 99 ASP HB3 H 2.758 0.02 1 1042 99 99 ASP C C 172.545 0.2 1 1043 99 99 ASP CA C 54.615 0.2 1 1044 99 99 ASP CB C 44.381 0.2 1 1045 99 99 ASP N N 117.198 0.2 1 1046 100 100 VAL H H 7.810 0.02 1 1047 100 100 VAL HA H 4.704 0.02 1 1048 100 100 VAL HB H 1.938 0.02 1 1049 100 100 VAL HG1 H 0.831 0.02 1 1050 100 100 VAL HG2 H 0.884 0.02 1 1051 100 100 VAL C C 172.647 0.2 1 1052 100 100 VAL CA C 61.787 0.2 1 1053 100 100 VAL CB C 34.805 0.2 1 1054 100 100 VAL CG1 C 21.792 0.2 1 1055 100 100 VAL CG2 C 21.798 0.2 1 1056 100 100 VAL N N 121.493 0.2 1 1057 101 101 TYR H H 9.092 0.02 1 1058 101 101 TYR HA H 5.085 0.02 1 1059 101 101 TYR HB2 H 2.781 0.02 1 1060 101 101 TYR HB3 H 3.179 0.02 1 1061 101 101 TYR HD1 H 7.048 0.02 3 1062 101 101 TYR HD2 H 7.048 0.02 3 1063 101 101 TYR HE1 H 6.773 0.02 3 1064 101 101 TYR HE2 H 6.773 0.02 3 1065 101 101 TYR C C 172.622 0.2 1 1066 101 101 TYR CA C 55.357 0.2 1 1067 101 101 TYR CB C 41.450 0.2 1 1068 101 101 TYR CD1 C 132.700 0.2 3 1069 101 101 TYR CD2 C 132.700 0.2 3 1070 101 101 TYR CE1 C 117.933 0.2 3 1071 101 101 TYR CE2 C 117.933 0.2 3 1072 101 101 TYR N N 127.543 0.2 1 1073 102 102 ILE H H 8.553 0.02 1 1074 102 102 ILE HA H 4.418 0.02 1 1075 102 102 ILE HB H 1.693 0.02 1 1076 102 102 ILE HD1 H 0.583 0.02 1 1077 102 102 ILE HG12 H 0.764 0.02 1 1078 102 102 ILE HG13 H 0.764 0.02 1 1079 102 102 ILE HG2 H 0.727 0.02 1 1080 102 102 ILE C C 172.031 0.2 1 1081 102 102 ILE CA C 58.173 0.2 1 1082 102 102 ILE CB C 38.963 0.2 1 1083 102 102 ILE CD1 C 13.357 0.2 1 1084 102 102 ILE CG1 C 27.318 0.2 1 1085 102 102 ILE CG2 C 16.673 0.2 1 1086 102 102 ILE N N 129.138 0.2 1 1087 103 103 PRO HA H 4.056 0.02 1 1088 103 103 PRO HB2 H 1.560 0.02 1 1089 103 103 PRO HB3 H 2.198 0.02 1 1090 103 103 PRO HD2 H 3.088 0.02 1 1091 103 103 PRO HD3 H 3.363 0.02 1 1092 103 103 PRO HG2 H 1.577 0.02 1 1093 103 103 PRO HG3 H 1.577 0.02 1 1094 103 103 PRO C C 174.586 0.2 1 1095 103 103 PRO CA C 62.489 0.2 1 1096 103 103 PRO CB C 31.862 0.2 1 1097 103 103 PRO CD C 50.454 0.2 1 1098 103 103 PRO CG C 27.472 0.2 1 1099 104 104 ARG H H 8.206 0.02 1 1100 104 104 ARG HA H 4.195 0.02 1 1101 104 104 ARG HB2 H 2.109 0.02 1 1102 104 104 ARG HB3 H 2.232 0.02 1 1103 104 104 ARG HG2 H 2.213 0.02 1 1104 104 104 ARG HG3 H 2.446 0.02 1 1105 104 104 ARG C C 175.512 0.2 1 1106 104 104 ARG CA C 54.600 0.2 1 1107 104 104 ARG CB C 32.730 0.2 1 1108 104 104 ARG CG C 30.785 0.2 1 1109 104 104 ARG N N 119.626 0.2 1 1110 105 105 ASP H H 8.581 0.02 1 1111 105 105 ASP HA H 4.459 0.02 1 1112 105 105 ASP HB2 H 2.569 0.02 1 1113 105 105 ASP HB3 H 2.972 0.02 1 1114 105 105 ASP C C 176.805 0.2 1 1115 105 105 ASP CA C 54.919 0.2 1 1116 105 105 ASP CB C 43.199 0.2 1 1117 105 105 ASP N N 122.661 0.2 1 1118 106 106 ARG H H 8.480 0.02 1 1119 106 106 ARG HA H 4.004 0.02 1 1120 106 106 ARG HB2 H 1.555 0.02 1 1121 106 106 ARG HB3 H 1.693 0.02 1 1122 106 106 ARG HD2 H 3.006 0.02 1 1123 106 106 ARG HD3 H 3.006 0.02 1 1124 106 106 ARG HG2 H 1.201 0.02 1 1125 106 106 ARG HG3 H 1.293 0.02 1 1126 106 106 ARG C C 175.124 0.2 1 1127 106 106 ARG CA C 58.006 0.2 1 1128 106 106 ARG CB C 30.309 0.2 1 1129 106 106 ARG CD C 43.282 0.2 1 1130 106 106 ARG CG C 26.511 0.2 1 1131 106 106 ARG N N 122.111 0.2 1 1132 107 107 TYR H H 8.448 0.02 1 1133 107 107 TYR HA H 4.677 0.02 1 1134 107 107 TYR HB2 H 3.095 0.02 1 1135 107 107 TYR HB3 H 3.192 0.02 1 1136 107 107 TYR HD1 H 7.219 0.02 3 1137 107 107 TYR HD2 H 7.219 0.02 3 1138 107 107 TYR HE1 H 6.792 0.02 3 1139 107 107 TYR HE2 H 6.792 0.02 3 1140 107 107 TYR C C 176.720 0.2 1 1141 107 107 TYR CA C 59.073 0.2 1 1142 107 107 TYR CB C 38.641 0.2 1 1143 107 107 TYR CD1 C 133.241 0.2 3 1144 107 107 TYR CD2 C 133.241 0.2 3 1145 107 107 TYR CE1 C 118.026 0.2 3 1146 107 107 TYR CE2 C 118.026 0.2 3 1147 107 107 TYR N N 118.128 0.2 1 1148 108 108 THR H H 8.927 0.02 1 1149 108 108 THR HA H 4.335 0.02 1 1150 108 108 THR HB H 4.424 0.02 1 1151 108 108 THR HG2 H 1.281 0.02 1 1152 108 108 THR C C 174.934 0.2 1 1153 108 108 THR CA C 61.825 0.2 1 1154 108 108 THR CB C 70.339 0.2 1 1155 108 108 THR CG2 C 21.436 0.2 1 1156 108 108 THR N N 111.175 0.2 1 1157 109 109 LYS H H 7.973 0.02 1 1158 109 109 LYS HA H 4.003 0.02 1 1159 109 109 LYS HB2 H 1.990 0.02 1 1160 109 109 LYS HB3 H 2.122 0.02 1 1161 109 109 LYS HE2 H 2.967 0.02 1 1162 109 109 LYS HE3 H 2.967 0.02 1 1163 109 109 LYS HG2 H 1.365 0.02 1 1164 109 109 LYS HG3 H 1.319 0.02 1 1165 109 109 LYS C C 174.654 0.2 1 1166 109 109 LYS CA C 57.657 0.2 1 1167 109 109 LYS CB C 30.238 0.2 1 1168 109 109 LYS CE C 42.141 0.2 1 1169 109 109 LYS CG C 25.117 0.2 1 1170 109 109 LYS N N 115.276 0.2 1 1171 110 110 GLU H H 7.884 0.02 1 1172 110 110 GLU HA H 4.344 0.02 1 1173 110 110 GLU HB2 H 1.821 0.02 1 1174 110 110 GLU HB3 H 2.036 0.02 1 1175 110 110 GLU HG2 H 2.241 0.02 1 1176 110 110 GLU HG3 H 2.241 0.02 1 1177 110 110 GLU C C 175.545 0.2 1 1178 110 110 GLU CA C 56.148 0.2 1 1179 110 110 GLU CB C 31.195 0.2 1 1180 110 110 GLU CG C 36.332 0.2 1 1181 110 110 GLU N N 119.003 0.2 1 1182 111 111 SER H H 8.555 0.02 1 1183 111 111 SER HA H 4.318 0.02 1 1184 111 111 SER HB2 H 3.814 0.02 1 1185 111 111 SER HB3 H 4.002 0.02 1 1186 111 111 SER C C 173.401 0.2 1 1187 111 111 SER CA C 58.315 0.2 1 1188 111 111 SER CB C 63.911 0.2 1 1189 111 111 SER N N 116.350 0.2 1 1190 112 112 ARG H H 8.161 0.02 1 1191 112 112 ARG HA H 4.359 0.02 1 1192 112 112 ARG HB2 H 1.337 0.02 1 1193 112 112 ARG HB3 H 2.119 0.02 1 1194 112 112 ARG HD2 H 3.145 0.02 1 1195 112 112 ARG HD3 H 3.145 0.02 1 1196 112 112 ARG HG2 H 1.525 0.02 1 1197 112 112 ARG HG3 H 1.525 0.02 1 1198 112 112 ARG C C 176.039 0.2 1 1199 112 112 ARG CA C 55.690 0.2 1 1200 112 112 ARG CB C 30.892 0.2 1 1201 112 112 ARG CD C 43.593 0.2 1 1202 112 112 ARG CG C 27.276 0.2 1 1203 112 112 ARG N N 121.102 0.2 1 1204 113 113 GLY H H 8.426 0.02 1 1205 113 113 GLY HA2 H 3.652 0.02 1 1206 113 113 GLY HA3 H 4.226 0.02 1 1207 113 113 GLY C C 170.921 0.2 1 1208 113 113 GLY CA C 45.868 0.2 1 1209 113 113 GLY N N 107.609 0.2 1 1210 114 114 PHE H H 6.991 0.02 1 1211 114 114 PHE HA H 5.668 0.02 1 1212 114 114 PHE HB2 H 2.830 0.02 1 1213 114 114 PHE HB3 H 3.201 0.02 1 1214 114 114 PHE HD1 H 6.691 0.02 3 1215 114 114 PHE HD2 H 6.691 0.02 3 1216 114 114 PHE HE1 H 7.221 0.02 3 1217 114 114 PHE HE2 H 7.221 0.02 3 1218 114 114 PHE HZ H 7.278 0.02 1 1219 114 114 PHE C C 171.422 0.2 1 1220 114 114 PHE CA C 54.464 0.2 1 1221 114 114 PHE CB C 42.431 0.2 1 1222 114 114 PHE CD1 C 132.329 0.2 3 1223 114 114 PHE CD2 C 132.329 0.2 3 1224 114 114 PHE CE1 C 131.294 0.2 3 1225 114 114 PHE CE2 C 131.294 0.2 3 1226 114 114 PHE CZ C 129.563 0.2 1 1227 114 114 PHE N N 113.200 0.2 1 1228 115 115 ALA H H 8.900 0.02 1 1229 115 115 ALA HA H 4.850 0.02 1 1230 115 115 ALA HB H 0.986 0.02 1 1231 115 115 ALA C C 174.244 0.2 1 1232 115 115 ALA CA C 49.717 0.2 1 1233 115 115 ALA CB C 26.101 0.2 1 1234 115 115 ALA N N 118.209 0.2 1 1235 116 116 PHE H H 9.056 0.02 1 1236 116 116 PHE HA H 5.816 0.02 1 1237 116 116 PHE HB2 H 2.837 0.02 1 1238 116 116 PHE HB3 H 2.837 0.02 1 1239 116 116 PHE HD1 H 7.382 0.02 3 1240 116 116 PHE HD2 H 7.382 0.02 3 1241 116 116 PHE HE1 H 7.140 0.02 3 1242 116 116 PHE HE2 H 7.140 0.02 3 1243 116 116 PHE HZ H 7.412 0.02 1 1244 116 116 PHE C C 174.324 0.2 1 1245 116 116 PHE CA C 56.407 0.2 1 1246 116 116 PHE CB C 41.455 0.2 1 1247 116 116 PHE CD1 C 131.096 0.2 3 1248 116 116 PHE CD2 C 131.096 0.2 3 1249 116 116 PHE CE1 C 131.362 0.2 3 1250 116 116 PHE CE2 C 131.362 0.2 3 1251 116 116 PHE CZ C 129.718 0.2 1 1252 116 116 PHE N N 116.218 0.2 1 1253 117 117 VAL H H 8.887 0.02 1 1254 117 117 VAL HA H 4.346 0.02 1 1255 117 117 VAL HB H 1.404 0.02 1 1256 117 117 VAL HG1 H 0.306 0.02 1 1257 117 117 VAL HG2 H 0.329 0.02 1 1258 117 117 VAL C C 173.344 0.2 1 1259 117 117 VAL CA C 61.483 0.2 1 1260 117 117 VAL CB C 34.000 0.2 1 1261 117 117 VAL CG1 C 20.625 0.2 1 1262 117 117 VAL CG2 C 21.654 0.2 1 1263 117 117 VAL N N 123.139 0.2 1 1264 118 118 ARG H H 8.684 0.02 1 1265 118 118 ARG HA H 5.274 0.02 1 1266 118 118 ARG HB2 H 1.431 0.02 1 1267 118 118 ARG HB3 H 1.732 0.02 1 1268 118 118 ARG HD2 H 2.926 0.02 1 1269 118 118 ARG HD3 H 2.926 0.02 1 1270 118 118 ARG HG2 H 1.102 0.02 1 1271 118 118 ARG HG3 H 1.102 0.02 1 1272 118 118 ARG C C 174.452 0.2 1 1273 118 118 ARG CA C 54.737 0.2 1 1274 118 118 ARG CB C 32.342 0.2 1 1275 118 118 ARG CD C 43.207 0.2 1 1276 118 118 ARG CG C 27.859 0.2 1 1277 118 118 ARG N N 125.469 0.2 1 1278 119 119 PHE H H 9.228 0.02 1 1279 119 119 PHE HA H 4.868 0.02 1 1280 119 119 PHE HB2 H 2.786 0.02 1 1281 119 119 PHE HB3 H 3.651 0.02 1 1282 119 119 PHE HD1 H 7.235 0.02 3 1283 119 119 PHE HD2 H 7.235 0.02 3 1284 119 119 PHE HE1 H 7.086 0.02 3 1285 119 119 PHE HE2 H 7.086 0.02 3 1286 119 119 PHE HZ H 7.479 0.02 1 1287 119 119 PHE C C 174.659 0.2 1 1288 119 119 PHE CA C 57.622 0.2 1 1289 119 119 PHE CB C 42.138 0.2 1 1290 119 119 PHE CD1 C 131.850 0.2 3 1291 119 119 PHE CD2 C 131.850 0.2 3 1292 119 119 PHE CE1 C 130.930 0.2 3 1293 119 119 PHE CE2 C 130.930 0.2 3 1294 119 119 PHE CZ C 129.656 0.2 1 1295 119 119 PHE N N 123.512 0.2 1 1296 120 120 HIS H H 7.757 0.02 1 1297 120 120 HIS HA H 4.421 0.02 1 1298 120 120 HIS HB2 H 3.118 0.02 1 1299 120 120 HIS HB3 H 3.238 0.02 1 1300 120 120 HIS C C 174.421 0.2 1 1301 120 120 HIS CA C 59.901 0.2 1 1302 120 120 HIS CB C 30.477 0.2 1 1303 120 120 HIS N N 119.783 0.2 1 1304 121 121 ASP H H 9.242 0.02 1 1305 121 121 ASP HA H 5.090 0.02 1 1306 121 121 ASP HB2 H 2.599 0.02 1 1307 121 121 ASP HB3 H 2.890 0.02 1 1308 121 121 ASP C C 175.170 0.2 1 1309 121 121 ASP CA C 52.899 0.2 1 1310 121 121 ASP CB C 44.237 0.2 1 1311 121 121 ASP N N 119.858 0.2 1 1312 122 122 LYS H H 8.739 0.02 1 1313 122 122 LYS HA H 3.887 0.02 1 1314 122 122 LYS HB2 H 1.806 0.02 1 1315 122 122 LYS HB3 H 1.961 0.02 1 1316 122 122 LYS HD2 H 1.682 0.02 1 1317 122 122 LYS HD3 H 1.682 0.02 1 1318 122 122 LYS HE2 H 2.954 0.02 1 1319 122 122 LYS HE3 H 2.954 0.02 1 1320 122 122 LYS HG2 H 1.409 0.02 1 1321 122 122 LYS HG3 H 1.409 0.02 1 1322 122 122 LYS C C 176.566 0.2 1 1323 122 122 LYS CA C 59.860 0.2 1 1324 122 122 LYS CB C 33.061 0.2 1 1325 122 122 LYS CD C 29.513 0.2 1 1326 122 122 LYS CE C 41.788 0.2 1 1327 122 122 LYS CG C 24.288 0.2 1 1328 122 122 LYS N N 127.488 0.2 1 1329 123 123 ARG H H 8.596 0.02 1 1330 123 123 ARG HA H 4.125 0.02 1 1331 123 123 ARG HB2 H 1.871 0.02 1 1332 123 123 ARG HB3 H 1.923 0.02 1 1333 123 123 ARG HD2 H 3.290 0.02 1 1334 123 123 ARG HD3 H 3.290 0.02 1 1335 123 123 ARG HG2 H 1.765 0.02 1 1336 123 123 ARG HG3 H 1.774 0.02 1 1337 123 123 ARG C C 177.472 0.2 1 1338 123 123 ARG CA C 58.431 0.2 1 1339 123 123 ARG CB C 29.560 0.2 1 1340 123 123 ARG CD C 43.013 0.2 1 1341 123 123 ARG CG C 26.727 0.2 1 1342 123 123 ARG N N 118.684 0.2 1 1343 124 124 ASP H H 7.091 0.02 1 1344 124 124 ASP HA H 4.219 0.02 1 1345 124 124 ASP HB2 H 2.674 0.02 1 1346 124 124 ASP HB3 H 3.006 0.02 1 1347 124 124 ASP C C 175.852 0.2 1 1348 124 124 ASP CA C 56.854 0.2 1 1349 124 124 ASP CB C 40.674 0.2 1 1350 124 124 ASP N N 119.689 0.2 1 1351 125 125 ALA H H 6.879 0.02 1 1352 125 125 ALA HA H 2.859 0.02 1 1353 125 125 ALA HB H 1.270 0.02 1 1354 125 125 ALA C C 177.979 0.2 1 1355 125 125 ALA CA C 54.303 0.2 1 1356 125 125 ALA CB C 18.342 0.2 1 1357 125 125 ALA N N 119.696 0.2 1 1358 126 126 GLU H H 8.064 0.02 1 1359 126 126 GLU HA H 3.679 0.02 1 1360 126 126 GLU HB2 H 2.181 0.02 1 1361 126 126 GLU HB3 H 1.977 0.02 1 1362 126 126 GLU HG2 H 2.098 0.02 1 1363 126 126 GLU HG3 H 2.473 0.02 1 1364 126 126 GLU C C 178.011 0.2 1 1365 126 126 GLU CA C 59.898 0.2 1 1366 126 126 GLU CB C 29.396 0.2 1 1367 126 126 GLU CG C 37.134 0.2 1 1368 126 126 GLU N N 117.557 0.2 1 1369 127 127 ASP H H 8.084 0.02 1 1370 127 127 ASP HA H 4.295 0.02 1 1371 127 127 ASP HB2 H 3.018 0.02 1 1372 127 127 ASP HB3 H 2.712 0.02 1 1373 127 127 ASP C C 178.074 0.2 1 1374 127 127 ASP CA C 57.248 0.2 1 1375 127 127 ASP CB C 40.325 0.2 1 1376 127 127 ASP N N 120.849 0.2 1 1377 128 128 ALA H H 8.152 0.02 1 1378 128 128 ALA HA H 2.754 0.02 1 1379 128 128 ALA HB H 1.305 0.02 1 1380 128 128 ALA C C 177.846 0.2 1 1381 128 128 ALA CA C 54.357 0.2 1 1382 128 128 ALA CB C 19.889 0.2 1 1383 128 128 ALA N N 122.493 0.2 1 1384 129 129 MET H H 8.345 0.02 1 1385 129 129 MET HA H 3.686 0.02 1 1386 129 129 MET HB2 H 2.277 0.02 1 1387 129 129 MET HB3 H 1.931 0.02 1 1388 129 129 MET HE H 2.139 0.02 1 1389 129 129 MET HG2 H 2.296 0.02 1 1390 129 129 MET HG3 H 2.443 0.02 1 1391 129 129 MET C C 175.961 0.2 1 1392 129 129 MET CA C 59.989 0.2 1 1393 129 129 MET CB C 33.237 0.2 1 1394 129 129 MET CE C 16.440 0.2 1 1395 129 129 MET CG C 31.153 0.2 1 1396 129 129 MET N N 118.603 0.2 1 1397 130 130 ASP H H 7.749 0.02 1 1398 130 130 ASP HA H 4.355 0.02 1 1399 130 130 ASP HB2 H 2.742 0.02 1 1400 130 130 ASP HB3 H 2.625 0.02 1 1401 130 130 ASP C C 176.995 0.2 1 1402 130 130 ASP CA C 56.923 0.2 1 1403 130 130 ASP CB C 41.268 0.2 1 1404 130 130 ASP N N 117.093 0.2 1 1405 131 131 ALA H H 7.351 0.02 1 1406 131 131 ALA HA H 4.173 0.02 1 1407 131 131 ALA HB H 1.157 0.02 1 1408 131 131 ALA C C 179.015 0.2 1 1409 131 131 ALA CA C 54.086 0.2 1 1410 131 131 ALA CB C 20.381 0.2 1 1411 131 131 ALA N N 117.777 0.2 1 1412 132 132 MET H H 8.146 0.02 1 1413 132 132 MET HA H 4.800 0.02 1 1414 132 132 MET HB2 H 2.037 0.02 1 1415 132 132 MET HB3 H 1.823 0.02 1 1416 132 132 MET HE H 1.567 0.02 1 1417 132 132 MET C C 176.646 0.2 1 1418 132 132 MET CA C 53.256 0.2 1 1419 132 132 MET CB C 31.368 0.2 1 1420 132 132 MET CE C 15.218 0.2 1 1421 132 132 MET N N 112.363 0.2 1 1422 133 133 ASP H H 7.914 0.02 1 1423 133 133 ASP HA H 4.435 0.02 1 1424 133 133 ASP HB2 H 2.810 0.02 1 1425 133 133 ASP HB3 H 2.977 0.02 1 1426 133 133 ASP C C 176.345 0.2 1 1427 133 133 ASP CA C 57.788 0.2 1 1428 133 133 ASP CB C 41.339 0.2 1 1429 133 133 ASP N N 120.159 0.2 1 1430 134 134 GLY H H 8.724 0.02 1 1431 134 134 GLY HA2 H 3.708 0.02 1 1432 134 134 GLY HA3 H 4.297 0.02 1 1433 134 134 GLY C C 172.487 0.2 1 1434 134 134 GLY CA C 45.733 0.2 1 1435 134 134 GLY N N 117.920 0.2 1 1436 135 135 ALA H H 7.958 0.02 1 1437 135 135 ALA HA H 4.374 0.02 1 1438 135 135 ALA HB H 1.504 0.02 1 1439 135 135 ALA C C 174.900 0.2 1 1440 135 135 ALA CA C 51.605 0.2 1 1441 135 135 ALA CB C 20.116 0.2 1 1442 135 135 ALA N N 123.877 0.2 1 1443 136 136 VAL H H 8.140 0.02 1 1444 136 136 VAL HA H 4.686 0.02 1 1445 136 136 VAL HB H 1.824 0.02 1 1446 136 136 VAL HG1 H 0.697 0.02 1 1447 136 136 VAL HG2 H 0.874 0.02 1 1448 136 136 VAL C C 175.469 0.2 1 1449 136 136 VAL CA C 61.603 0.2 1 1450 136 136 VAL CB C 32.326 0.2 1 1451 136 136 VAL CG1 C 21.109 0.2 1 1452 136 136 VAL CG2 C 21.950 0.2 1 1453 136 136 VAL N N 118.631 0.2 1 1454 137 137 LEU H H 8.934 0.02 1 1455 137 137 LEU HA H 4.566 0.02 1 1456 137 137 LEU HB2 H 1.222 0.02 1 1457 137 137 LEU HB3 H 1.832 0.02 1 1458 137 137 LEU HD1 H 0.937 0.02 1 1459 137 137 LEU HD2 H 0.854 0.02 1 1460 137 137 LEU HG H 1.459 0.02 1 1461 137 137 LEU C C 175.372 0.2 1 1462 137 137 LEU CA C 54.556 0.2 1 1463 137 137 LEU CB C 45.300 0.2 1 1464 137 137 LEU CD1 C 24.127 0.2 1 1465 137 137 LEU CD2 C 26.464 0.2 1 1466 137 137 LEU CG C 27.898 0.2 1 1467 137 137 LEU N N 129.568 0.2 1 1468 138 138 ASP H H 9.485 0.02 1 1469 138 138 ASP HA H 4.255 0.02 1 1470 138 138 ASP HB2 H 2.264 0.02 1 1471 138 138 ASP HB3 H 3.102 0.02 1 1472 138 138 ASP C C 174.644 0.2 1 1473 138 138 ASP CA C 55.049 0.2 1 1474 138 138 ASP CB C 39.914 0.2 1 1475 138 138 ASP N N 129.722 0.2 1 1476 139 139 GLY H H 8.039 0.02 1 1477 139 139 GLY HA2 H 4.052 0.02 1 1478 139 139 GLY HA3 H 3.500 0.02 1 1479 139 139 GLY C C 172.880 0.2 1 1480 139 139 GLY CA C 45.447 0.2 1 1481 139 139 GLY N N 100.618 0.2 1 1482 140 140 ARG H H 7.530 0.02 1 1483 140 140 ARG HA H 4.573 0.02 1 1484 140 140 ARG HB2 H 1.861 0.02 1 1485 140 140 ARG HB3 H 1.935 0.02 1 1486 140 140 ARG HD2 H 3.058 0.02 1 1487 140 140 ARG HD3 H 3.058 0.02 1 1488 140 140 ARG HG2 H 1.479 0.02 1 1489 140 140 ARG HG3 H 1.714 0.02 1 1490 140 140 ARG C C 173.309 0.2 1 1491 140 140 ARG CA C 53.718 0.2 1 1492 140 140 ARG CB C 33.273 0.2 1 1493 140 140 ARG CD C 42.929 0.2 1 1494 140 140 ARG CG C 27.029 0.2 1 1495 140 140 ARG N N 120.254 0.2 1 1496 141 141 GLU H H 8.393 0.02 1 1497 141 141 GLU HA H 4.341 0.02 1 1498 141 141 GLU HB2 H 1.894 0.02 1 1499 141 141 GLU HB3 H 1.789 0.02 1 1500 141 141 GLU HG2 H 2.066 0.02 1 1501 141 141 GLU HG3 H 2.148 0.02 1 1502 141 141 GLU C C 175.158 0.2 1 1503 141 141 GLU CA C 55.825 0.2 1 1504 141 141 GLU CB C 29.939 0.2 1 1505 141 141 GLU CG C 36.641 0.2 1 1506 141 141 GLU N N 121.179 0.2 1 1507 142 142 LEU H H 9.383 0.02 1 1508 142 142 LEU HA H 4.586 0.02 1 1509 142 142 LEU HB2 H 2.198 0.02 1 1510 142 142 LEU HB3 H 1.269 0.02 1 1511 142 142 LEU HD1 H 0.776 0.02 1 1512 142 142 LEU HD2 H 0.805 0.02 1 1513 142 142 LEU HG H 1.968 0.02 1 1514 142 142 LEU C C 176.970 0.2 1 1515 142 142 LEU CA C 55.085 0.2 1 1516 142 142 LEU CB C 43.684 0.2 1 1517 142 142 LEU CD1 C 22.679 0.2 1 1518 142 142 LEU CD2 C 25.413 0.2 1 1519 142 142 LEU CG C 26.279 0.2 1 1520 142 142 LEU N N 128.043 0.2 1 1521 143 143 ARG H H 7.712 0.02 1 1522 143 143 ARG HA H 5.195 0.02 1 1523 143 143 ARG HB2 H 1.720 0.02 1 1524 143 143 ARG HB3 H 1.882 0.02 1 1525 143 143 ARG HD2 H 3.283 0.02 1 1526 143 143 ARG HD3 H 3.283 0.02 1 1527 143 143 ARG HG2 H 1.652 0.02 1 1528 143 143 ARG HG3 H 1.652 0.02 1 1529 143 143 ARG C C 174.601 0.2 1 1530 143 143 ARG CA C 54.310 0.2 1 1531 143 143 ARG CB C 32.314 0.2 1 1532 143 143 ARG CD C 43.234 0.2 1 1533 143 143 ARG CG C 26.930 0.2 1 1534 143 143 ARG N N 121.450 0.2 1 1535 144 144 VAL H H 9.547 0.02 1 1536 144 144 VAL HA H 5.151 0.02 1 1537 144 144 VAL HB H 1.976 0.02 1 1538 144 144 VAL HG1 H 1.016 0.02 1 1539 144 144 VAL HG2 H 1.067 0.02 1 1540 144 144 VAL C C 172.512 0.2 1 1541 144 144 VAL CA C 61.211 0.2 1 1542 144 144 VAL CB C 34.528 0.2 1 1543 144 144 VAL CG1 C 24.742 0.2 1 1544 144 144 VAL CG2 C 22.508 0.2 1 1545 144 144 VAL N N 127.015 0.2 1 1546 145 145 GLN H H 8.548 0.02 1 1547 145 145 GLN HA H 4.982 0.02 1 1548 145 145 GLN HB2 H 1.990 0.02 1 1549 145 145 GLN HB3 H 2.097 0.02 1 1550 145 145 GLN HE21 H 6.843 0.02 1 1551 145 145 GLN HE22 H 7.602 0.02 1 1552 145 145 GLN HG2 H 2.159 0.02 1 1553 145 145 GLN HG3 H 2.364 0.02 1 1554 145 145 GLN C C 173.534 0.2 1 1555 145 145 GLN CA C 53.515 0.2 1 1556 145 145 GLN CB C 34.008 0.2 1 1557 145 145 GLN CG C 33.699 0.2 1 1558 145 145 GLN N N 122.228 0.2 1 1559 145 145 GLN NE2 N 112.129 0.2 1 1560 146 146 MET H H 8.752 0.02 1 1561 146 146 MET HA H 4.691 0.02 1 1562 146 146 MET HB2 H 1.984 0.02 1 1563 146 146 MET HB3 H 2.030 0.02 1 1564 146 146 MET HE H 1.947 0.02 1 1565 146 146 MET HG2 H 2.575 0.02 1 1566 146 146 MET HG3 H 2.670 0.02 1 1567 146 146 MET C C 175.421 0.2 1 1568 146 146 MET CA C 55.990 0.2 1 1569 146 146 MET CB C 31.927 0.2 1 1570 146 146 MET CE C 17.053 0.2 1 1571 146 146 MET CG C 32.299 0.2 1 1572 146 146 MET N N 122.173 0.2 1 1573 147 147 ALA H H 8.630 0.02 1 1574 147 147 ALA HA H 4.469 0.02 1 1575 147 147 ALA HB H 1.367 0.02 1 1576 147 147 ALA C C 175.720 0.2 1 1577 147 147 ALA CA C 52.242 0.2 1 1578 147 147 ALA CB C 20.206 0.2 1 1579 147 147 ALA N N 127.568 0.2 1 1580 148 148 ARG H H 8.374 0.02 1 1581 148 148 ARG HA H 4.352 0.02 1 1582 148 148 ARG HB2 H 1.698 0.02 1 1583 148 148 ARG HB3 H 1.751 0.02 1 1584 148 148 ARG HD2 H 3.139 0.02 1 1585 148 148 ARG HD3 H 3.139 0.02 1 1586 148 148 ARG HG2 H 1.524 0.02 1 1587 148 148 ARG HG3 H 1.524 0.02 1 1588 148 148 ARG C C 174.477 0.2 1 1589 148 148 ARG CA C 55.859 0.2 1 1590 148 148 ARG CB C 31.301 0.2 1 1591 148 148 ARG CD C 43.289 0.2 1 1592 148 148 ARG CG C 27.120 0.2 1 1593 148 148 ARG N N 120.213 0.2 1 1594 149 149 TYR H H 8.260 0.02 1 1595 149 149 TYR HA H 4.512 0.02 1 1596 149 149 TYR HB2 H 2.811 0.02 1 1597 149 149 TYR HB3 H 2.947 0.02 1 1598 149 149 TYR HD1 H 7.000 0.02 3 1599 149 149 TYR HD2 H 7.000 0.02 3 1600 149 149 TYR HE1 H 6.703 0.02 3 1601 149 149 TYR HE2 H 6.703 0.02 3 1602 149 149 TYR C C 174.963 0.2 1 1603 149 149 TYR CA C 57.834 0.2 1 1604 149 149 TYR CB C 39.077 0.2 1 1605 149 149 TYR CD1 C 133.263 0.2 3 1606 149 149 TYR CD2 C 133.263 0.2 3 1607 149 149 TYR CE1 C 118.042 0.2 3 1608 149 149 TYR CE2 C 118.042 0.2 3 1609 149 149 TYR N N 121.803 0.2 1 1610 150 150 GLY H H 8.102 0.02 1 1611 150 150 GLY HA2 H 3.706 0.02 1 1612 150 150 GLY HA3 H 3.826 0.02 1 1613 150 150 GLY C C 172.163 0.2 1 1614 150 150 GLY CA C 45.072 0.2 1 1615 150 150 GLY N N 110.852 0.2 1 1616 151 151 ARG H H 7.980 0.02 1 1617 151 151 ARG HA H 4.508 0.02 1 1618 151 151 ARG HB2 H 1.622 0.02 1 1619 151 151 ARG HB3 H 1.734 0.02 1 1620 151 151 ARG HD2 H 3.097 0.02 1 1621 151 151 ARG HD3 H 3.097 0.02 1 1622 151 151 ARG HG2 H 1.546 0.02 1 1623 151 151 ARG HG3 H 1.546 0.02 1 1624 151 151 ARG C C 172.806 0.2 1 1625 151 151 ARG CA C 53.714 0.2 1 1626 151 151 ARG CB C 30.415 0.2 1 1627 151 151 ARG CD C 43.290 0.2 1 1628 151 151 ARG CG C 26.793 0.2 1 1629 151 151 ARG N N 121.457 0.2 1 1630 152 152 PRO HA H 4.637 0.02 1 1631 152 152 PRO HB2 H 1.890 0.02 1 1632 152 152 PRO HB3 H 2.304 0.02 1 1633 152 152 PRO HD2 H 3.547 0.02 1 1634 152 152 PRO HD3 H 3.787 0.02 1 1635 152 152 PRO HG2 H 2.030 0.02 1 1636 152 152 PRO HG3 H 1.959 0.02 1 1637 152 152 PRO CA C 61.610 0.2 1 1638 152 152 PRO CB C 30.820 0.2 1 1639 152 152 PRO CD C 50.629 0.2 1 1640 152 152 PRO CG C 27.473 0.2 1 1641 153 153 PRO HA H 4.384 0.02 1 1642 153 153 PRO HB2 H 1.904 0.02 1 1643 153 153 PRO HB3 H 2.248 0.02 1 1644 153 153 PRO HD2 H 3.722 0.02 1 1645 153 153 PRO HD3 H 3.585 0.02 1 1646 153 153 PRO HG2 H 1.967 0.02 1 1647 153 153 PRO HG3 H 1.967 0.02 1 1648 153 153 PRO C C 175.631 0.2 1 1649 153 153 PRO CA C 63.232 0.2 1 1650 153 153 PRO CB C 31.994 0.2 1 1651 153 153 PRO CD C 50.489 0.2 1 1652 153 153 PRO CG C 27.397 0.2 1 1653 154 154 ASP H H 8.341 0.02 1 1654 154 154 ASP HA H 4.569 0.02 1 1655 154 154 ASP HB2 H 2.656 0.02 1 1656 154 154 ASP HB3 H 2.656 0.02 1 1657 154 154 ASP C C 175.321 0.2 1 1658 154 154 ASP CA C 54.242 0.2 1 1659 154 154 ASP CB C 41.198 0.2 1 1660 154 154 ASP N N 119.906 0.2 1 1661 155 155 SER H H 8.127 0.02 1 1662 155 155 SER HA H 4.383 0.02 1 1663 155 155 SER HB2 H 3.770 0.02 1 1664 155 155 SER HB3 H 3.770 0.02 1 1665 155 155 SER C C 173.345 0.2 1 1666 155 155 SER CA C 58.360 0.2 1 1667 155 155 SER CB C 63.769 0.2 1 1668 155 155 SER N N 115.254 0.2 1 1669 156 156 HIS H H 8.331 0.02 1 1670 156 156 HIS HA H 4.618 0.02 1 1671 156 156 HIS HB2 H 2.973 0.02 1 1672 156 156 HIS HB3 H 2.973 0.02 1 1673 156 156 HIS HD2 H 6.952 0.02 1 1674 156 156 HIS HE1 H 7.908 0.02 1 1675 156 156 HIS CA C 56.178 0.2 1 1676 156 156 HIS CB C 30.169 0.2 1 1677 156 156 HIS CD2 C 119.646 0.2 1 1678 156 156 HIS CE1 C 137.788 0.2 1 1679 156 156 HIS N N 120.979 0.2 1 1680 157 157 HIS H H 7.104 0.02 1 1681 157 157 HIS HA H 4.691 0.02 1 1682 157 157 HIS HB2 H 3.100 0.02 1 1683 157 157 HIS HB3 H 3.211 0.02 1 1684 157 157 HIS HE1 H 7.746 0.02 1 1685 157 157 HIS C C 173.152 0.2 1 1686 157 157 HIS CA C 55.838 0.2 1 1687 157 157 HIS CB C 30.409 0.2 1 1688 157 157 HIS CE1 C 138.715 0.2 1 1689 157 157 HIS N N 119.686 0.2 1 1690 158 158 SER H H 8.026 0.02 1 1691 158 158 SER HA H 4.262 0.02 1 1692 158 158 SER HB2 H 3.857 0.02 1 1693 158 158 SER HB3 H 3.857 0.02 1 1694 158 158 SER C C 177.680 0.2 1 1695 158 158 SER CA C 60.044 0.2 1 1696 158 158 SER CB C 64.730 0.2 1 1697 158 158 SER N N 122.894 0.2 1 stop_ save_