data_5145 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the human Doppel Protein ; _BMRB_accession_number 5145 _BMRB_flat_file_name bmr5145.str _Entry_type original _Submission_date 2001-09-10 _Accession_date 2001-09-11 _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 Luhrs Thorsten . . 2 Riek Roland . . 3 Guntert Peter . . 4 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 778 "13C chemical shifts" 406 "15N chemical shifts" 150 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-02-25 original author . stop_ _Original_release_date 2003-02-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure of the Human Doppel Protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22483920 _PubMed_ID 12595265 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Luhrs Thorsten . . 2 Riek Roland . . 3 Guntert Peter . . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 326 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1549 _Page_last 1557 _Year 2003 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_Ref1 _Saveframe_category citation _Citation_full ; Moore RC, Lee IY, Silverman GL, Harrison PM, Strome R, Heinrich C, Karunaratne A, Pasternak SH, Chishti MA, Liang Y, Mastrangelo P, Wang K, Smit AF, Katamine S, Carlson GA, Cohen FE, Prusiner SB, Melton DW, Tremblay P, Hood LE, Westaway D. Ataxia in prion protein (PrP)-deficient mice is associated with upregulation of the novel PrP-like protein doppel. J Mol Biol. 1999 Oct 1;292(4):797-817. ; _Citation_title 'Ataxia in prion protein (PrP)-deficient mice is associated with upregulation of the novel PrP-like protein doppel.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10525406 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moore 'R C' C. . 2 Lee 'I Y' Y. . 3 Silverman 'G L' L. . 4 Harrison 'P M' M. . 5 Strome R . . 6 Heinrich C . . 7 Karunaratne A . . 8 Pasternak 'S H' H. . 9 Chishti 'M A' A. . 10 Liang Y . . 11 Mastrangelo P . . 12 Wang K . . 13 Smit 'A F' F. . 14 Katamine S . . 15 Carlson 'G A' A. . 16 Cohen 'F E' E. . 17 Prusiner 'S B' B. . 18 Melton 'D W' W. . 19 Tremblay P . . 20 Hood 'L E' E. . 21 Westaway D . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 292 _Journal_issue 4 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 797 _Page_last 817 _Year 1999 _Details ; The novel locus Prnd is 16 kb downstream of the mouse prion protein (PrP) gene Prnp and encodes a 179 residue PrP-like protein designated doppel (Dpl). Prnd generates major transcripts of 1.7 and 2.7 kb as well as some unusual chimeric transcripts generated by intergenic splicing with Prnp. Like PrP, Dpl mRNA is expressed during embryogenesis but, in contrast to PrP, it is expressed minimally in the CNS. Unexpectedly, Dpl is upregulated in the CNS of two PrP-deficient (Prnp(0/0)) lines of mice, both of which develop late-onset ataxia, suggesting that Dpl may provoke neurodegeneration. Dpl is the first PrP-like protein to be described in mammals, and since Dpl seems to cause neurodegeneration similar to PrP, the linked expression of the Prnp and Prnd genes may play a previously unrecognized role in the pathogenesis of prion diseases or other illnesses. ; save_ ################################## # Molecular system description # ################################## save_system_hDpl _Saveframe_category molecular_system _Mol_system_name 'human Doppel' _Abbreviation_common hDpl _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human Doppel(24-152)' $hDpl stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hDpl _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Doppel Protein' _Abbreviation_common Dpl _Molecular_mass 14967.7 _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; GSVQTRGIKHRIKWNRKALP STAQITEAQVAENRPGAFIK QGRKLDIDFGAEGNRYYEAN YWQFPDGIHYNGCSEANVTK EAFVTGCINATQAANQGEFQ KPDNKLHQQVLWRLVQELCS LKHCEFWLERG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 22 GLY 2 23 SER 3 24 VAL 4 25 GLN 5 26 THR 6 27 ARG 7 28 GLY 8 29 ILE 9 30 LYS 10 31 HIS 11 32 ARG 12 33 ILE 13 34 LYS 14 35 TRP 15 36 ASN 16 37 ARG 17 38 LYS 18 39 ALA 19 40 LEU 20 41 PRO 21 42 SER 22 43 THR 23 44 ALA 24 45 GLN 25 46 ILE 26 47 THR 27 48 GLU 28 49 ALA 29 50 GLN 30 51 VAL 31 52 ALA 32 53 GLU 33 54 ASN 34 55 ARG 35 56 PRO 36 57 GLY 37 58 ALA 38 59 PHE 39 60 ILE 40 61 LYS 41 62 GLN 42 63 GLY 43 64 ARG 44 65 LYS 45 66 LEU 46 67 ASP 47 68 ILE 48 69 ASP 49 70 PHE 50 71 GLY 51 72 ALA 52 73 GLU 53 74 GLY 54 75 ASN 55 76 ARG 56 77 TYR 57 78 TYR 58 79 GLU 59 80 ALA 60 81 ASN 61 82 TYR 62 83 TRP 63 84 GLN 64 85 PHE 65 86 PRO 66 87 ASP 67 88 GLY 68 89 ILE 69 90 HIS 70 91 TYR 71 92 ASN 72 93 GLY 73 94 CYS 74 95 SER 75 96 GLU 76 97 ALA 77 98 ASN 78 99 VAL 79 100 THR 80 101 LYS 81 102 GLU 82 103 ALA 83 104 PHE 84 105 VAL 85 106 THR 86 107 GLY 87 108 CYS 88 109 ILE 89 110 ASN 90 111 ALA 91 112 THR 92 113 GLN 93 114 ALA 94 115 ALA 95 116 ASN 96 117 GLN 97 118 GLY 98 119 GLU 99 120 PHE 100 121 GLN 101 122 LYS 102 123 PRO 103 124 ASP 104 125 ASN 105 126 LYS 106 127 LEU 107 128 HIS 108 129 GLN 109 130 GLN 110 131 VAL 111 132 LEU 112 133 TRP 113 134 ARG 114 135 LEU 115 136 VAL 116 137 GLN 117 138 GLU 118 139 LEU 119 140 CYS 120 141 SER 121 142 LEU 122 143 LYS 123 144 HIS 124 145 CYS 125 146 GLU 126 147 PHE 127 148 TRP 128 149 LEU 129 150 GLU 130 151 ARG 131 152 GLY 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 PDB 1LG4 "Nmr Structure Of The Human Doppel Protein Fragment 24-152" 98.47 129 100.00 100.00 5.42e-91 DBJ BAG36200 "unnamed protein product [Homo sapiens]" 100.00 176 98.47 99.24 2.78e-91 GB AAF02424 "prion-like protein [Homo sapiens]" 100.00 176 98.47 99.24 2.78e-91 GB AAG43448 "doppel protein [Homo sapiens]" 96.95 148 97.64 99.21 1.58e-87 GB AAG43449 "prion-like protein [Homo sapiens]" 100.00 176 97.71 99.24 1.16e-90 GB AAH43644 "Prion protein 2 (dublet) [Homo sapiens]" 100.00 176 98.47 99.24 2.78e-91 GB AAQ89344 "PRND [Homo sapiens]" 100.00 176 98.47 99.24 2.78e-91 REF NP_036541 "prion-like protein doppel preproprotein [Homo sapiens]" 100.00 176 98.47 99.24 3.61e-91 SP Q9UKY0 "RecName: Full=Prion-like protein doppel; AltName: Full=PrPLP; AltName: Full=Prion protein 2; Flags: Precursor [Homo sapiens]" 100.00 176 98.47 99.24 3.61e-91 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hDpl 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 $hDpl '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 _Isotopic_labeling $hDpl 1.5 mM '[U-15N; U-13C]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hDpl 2.0 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' 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_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _Sample_label . save_ save_1H-15N_3D-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N 3D-TOCSY' _Sample_label . save_ save_HCCH_COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH COSY' _Sample_label . save_ save_1H-15N_3D-NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N 3D-NOESY' _Sample_label . save_ save_1H-13C_3D-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C 3D-NOESY' _Sample_label . save_ save_1H-1H_2D-NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H 2D-NOESY' _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 HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _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 HN(CO)CACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N 3D-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCH COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N 3D-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C 3D-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H 2D-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.010 . M pH 4.5 0.1 n/a temperature 298 1 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_set1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'human Doppel(24-152)' _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 23 2 SER N N 115.7 0.1 1 2 23 2 SER H H 8.56 0.02 1 3 23 2 SER CA C 58.2 0.1 1 4 23 2 SER HA H 4.43 0.02 1 5 23 2 SER CB C 63.9 0.1 1 6 23 2 SER HB2 H 3.73 0.02 1 7 23 2 SER HB3 H 3.73 0.02 1 8 24 3 VAL N N 122.1 0.1 1 9 24 3 VAL H H 8.26 0.02 1 10 24 3 VAL CA C 62.7 0.1 1 11 24 3 VAL HA H 3.99 0.02 1 12 24 3 VAL CB C 32.5 0.1 1 13 24 3 VAL HB H 1.93 0.02 1 14 24 3 VAL HG1 H 0.80 0.02 2 15 24 3 VAL HG2 H 0.81 0.02 2 16 24 3 VAL CG1 C 20.9 0.1 1 17 24 3 VAL CG2 C 20.7 0.1 1 18 25 4 GLN N N 124.4 0.1 1 19 25 4 GLN H H 8.44 0.02 1 20 25 4 GLN CA C 55.5 0.1 1 21 25 4 GLN HA H 4.28 0.02 1 22 25 4 GLN CB C 29.3 0.1 1 23 25 4 GLN HB2 H 1.85 0.02 2 24 25 4 GLN HB3 H 1.96 0.02 2 25 25 4 GLN CG C 33.8 0.1 1 26 25 4 GLN HG2 H 2.24 0.02 1 27 25 4 GLN HG3 H 2.24 0.02 1 28 26 5 THR N N 116.0 0.1 1 29 26 5 THR H H 8.14 0.02 1 30 26 5 THR CA C 62.3 0.1 1 31 26 5 THR HA H 4.18 0.02 1 32 26 5 THR CB C 69.6 0.1 1 33 26 5 THR HB H 4.08 0.02 1 34 26 5 THR HG2 H 1.06 0.02 1 35 26 5 THR CG2 C 21.5 0.1 1 36 27 6 ARG N N 123.4 0.1 1 37 27 6 ARG H H 8.29 0.02 1 38 27 6 ARG CA C 55.9 0.1 1 39 27 6 ARG HA H 4.18 0.02 1 40 27 6 ARG CB C 30.8 0.1 1 41 27 6 ARG HB2 H 1.64 0.02 2 42 27 6 ARG HB3 H 1.74 0.02 2 43 27 6 ARG CG C 27.0 0.1 1 44 27 6 ARG HG2 H 1.49 0.02 2 45 27 6 ARG HG3 H 1.52 0.02 2 46 28 7 GLY N N 110.0 0.1 1 47 28 7 GLY H H 8.33 0.02 1 48 28 7 GLY CA C 45.2 0.1 1 49 28 7 GLY HA2 H 3.80 0.02 1 50 28 7 GLY HA3 H 3.80 0.02 1 51 29 8 ILE N N 120.1 0.1 1 52 29 8 ILE H H 7.88 0.02 1 53 29 8 ILE CA C 61.0 0.1 1 54 29 8 ILE HA H 3.97 0.02 1 55 29 8 ILE CB C 38.4 0.1 1 56 29 8 ILE HB H 1.66 0.02 1 57 29 8 ILE HG2 H 0.67 0.02 1 58 29 8 ILE CG2 C 17.3 0.1 1 59 29 8 ILE CG1 C 27.0 0.1 1 60 29 8 ILE HG12 H 1.00 0.02 2 61 29 8 ILE HG13 H 1.26 0.02 2 62 29 8 ILE HD1 H 0.70 0.02 1 63 29 8 ILE CD1 C 12.7 0.1 1 64 30 9 LYS N N 125.4 0.1 1 65 30 9 LYS H H 8.29 0.02 1 66 30 9 LYS CA C 56.1 0.1 1 67 30 9 LYS HA H 4.13 0.02 1 68 30 9 LYS CB C 32.9 0.1 1 69 30 9 LYS HB2 H 1.53 0.02 2 70 30 9 LYS HB3 H 1.58 0.02 2 71 30 9 LYS CG C 24.5 0.1 1 72 30 9 LYS HG2 H 1.15 0.02 2 73 30 9 LYS HG3 H 1.17 0.02 2 74 30 9 LYS CD C 29.1 0.1 1 75 30 9 LYS HD2 H 1.35 0.02 1 76 30 9 LYS HD3 H 1.35 0.02 1 77 30 9 LYS CE C 42.2 0.1 1 78 30 9 LYS HE2 H 2.77 0.02 1 79 30 9 LYS HE3 H 2.77 0.02 1 80 31 10 HIS N N 120.0 0.1 1 81 31 10 HIS H H 8.39 0.02 1 82 31 10 HIS CA C 54.9 0.1 1 83 31 10 HIS HA H 4.55 0.02 1 84 31 10 HIS CB C 29.1 0.1 1 85 31 10 HIS HB2 H 2.97 0.02 2 86 31 10 HIS HB3 H 3.08 0.02 2 87 31 10 HIS HD2 H 7.11 0.02 1 88 32 11 ARG N N 123.2 0.1 1 89 32 11 ARG H H 8.39 0.02 1 90 32 11 ARG HA H 4.18 0.02 1 91 33 12 ILE N N 123.0 0.1 1 92 33 12 ILE H H 8.19 0.02 1 93 33 12 ILE CA C 61.0 0.1 1 94 33 12 ILE HA H 3.95 0.02 1 95 33 12 ILE CB C 38.8 0.1 1 96 33 12 ILE HB H 1.60 0.02 1 97 33 12 ILE HG2 H 0.57 0.02 1 98 33 12 ILE CG2 C 17.1 0.1 1 99 33 12 ILE CG1 C 27.2 0.1 1 100 33 12 ILE HG12 H 0.98 0.02 2 101 33 12 ILE HG13 H 1.29 0.02 2 102 33 12 ILE HD1 H 0.68 0.02 1 103 33 12 ILE CD1 C 12.9 0.1 1 104 34 13 LYS N N 125.8 0.1 1 105 34 13 LYS H H 8.24 0.02 1 106 34 13 LYS HA H 4.16 0.02 1 107 34 13 LYS HB2 H 1.52 0.02 2 108 34 13 LYS HB3 H 1.60 0.02 2 109 35 14 TRP N N 123.5 0.1 1 110 35 14 TRP H H 8.12 0.02 1 111 35 14 TRP CA C 57.0 0.1 1 112 35 14 TRP HA H 4.51 0.02 1 113 35 14 TRP CB C 29.8 0.1 1 114 35 14 TRP HB2 H 3.04 0.02 2 115 35 14 TRP HB3 H 3.11 0.02 2 116 35 14 TRP CD1 C 126.8 0.1 1 117 35 14 TRP CE3 C 120.7 0.1 1 118 35 14 TRP NE1 N 129.3 0.1 1 119 35 14 TRP HD1 H 7.09 0.02 1 120 35 14 TRP HE3 H 7.44 0.02 1 121 35 14 TRP CZ3 C 121.6 0.1 1 122 35 14 TRP CZ2 C 114.6 0.1 1 123 35 14 TRP HE1 H 10.01 0.02 1 124 35 14 TRP HZ3 H 6.98 0.02 1 125 35 14 TRP CH2 C 124.5 0.1 1 126 35 14 TRP HZ2 H 7.32 0.02 1 127 35 14 TRP HH2 H 7.06 0.02 1 128 36 15 ASN N N 121.6 0.1 1 129 36 15 ASN H H 8.19 0.02 1 130 36 15 ASN CA C 52.5 0.1 1 131 36 15 ASN HA H 4.47 0.02 1 132 36 15 ASN CB C 38.6 0.1 1 133 36 15 ASN HB2 H 2.49 0.02 2 134 36 15 ASN HB3 H 2.52 0.02 2 135 36 15 ASN ND2 N 112.3 0.1 1 136 36 15 ASN HD21 H 6.74 0.02 2 137 36 15 ASN HD22 H 7.42 0.02 2 138 37 16 ARG N N 121.6 0.1 1 139 37 16 ARG H H 7.92 0.02 1 140 37 16 ARG CA C 56.3 0.1 1 141 37 16 ARG HA H 3.95 0.02 1 142 37 16 ARG CB C 30.6 0.1 1 143 37 16 ARG HB2 H 1.52 0.02 2 144 37 16 ARG HB3 H 1.64 0.02 2 145 37 16 ARG CG C 27.0 0.1 1 146 37 16 ARG HG2 H 1.37 0.02 1 147 37 16 ARG HG3 H 1.37 0.02 1 148 37 16 ARG CD C 43.3 0.1 1 149 37 16 ARG HD2 H 2.97 0.02 1 150 37 16 ARG HD3 H 2.97 0.02 1 151 37 16 ARG NE N 84.5 0.1 1 152 37 16 ARG HE H 7.04 0.02 1 153 38 17 LYS N N 122.1 0.1 1 154 38 17 LYS H H 8.11 0.02 1 155 38 17 LYS CA C 56.1 0.1 1 156 38 17 LYS HA H 4.10 0.02 1 157 38 17 LYS CB C 32.9 0.1 1 158 38 17 LYS HB2 H 1.58 0.02 2 159 38 17 LYS HB3 H 1.67 0.02 2 160 38 17 LYS CG C 24.7 0.1 1 161 38 17 LYS HG2 H 1.28 0.02 1 162 38 17 LYS HG3 H 1.28 0.02 1 163 38 17 LYS CD C 29.1 0.1 1 164 38 17 LYS HD2 H 1.53 0.02 1 165 38 17 LYS HD3 H 1.53 0.02 1 166 38 17 LYS CE C 42.0 0.1 1 167 38 17 LYS HE2 H 2.83 0.02 1 168 38 17 LYS HE3 H 2.83 0.02 1 169 39 18 ALA N N 125.2 0.1 1 170 39 18 ALA H H 8.07 0.02 1 171 39 18 ALA CA C 51.9 0.1 1 172 39 18 ALA HA H 4.16 0.02 1 173 39 18 ALA HB H 1.21 0.02 1 174 39 18 ALA CB C 19.2 0.1 1 175 40 19 LEU N N 123.0 0.1 1 176 40 19 LEU H H 8.11 0.02 1 177 40 19 LEU CA C 52.8 0.1 1 178 40 19 LEU HA H 4.45 0.02 1 179 40 19 LEU CB C 41.6 0.1 1 180 40 19 LEU HB2 H 1.42 0.02 2 181 40 19 LEU HB3 H 1.46 0.02 2 182 40 19 LEU CG C 27.0 0.1 1 183 40 19 LEU HG H 1.55 0.02 1 184 40 19 LEU HD1 H 0.77 0.02 2 185 40 19 LEU HD2 H 0.80 0.02 2 186 40 19 LEU CD1 C 23.2 0.1 1 187 40 19 LEU CD2 C 25.1 0.1 1 188 41 20 PRO CD C 50.4 0.1 1 189 41 20 PRO CA C 62.9 0.1 1 190 41 20 PRO HA H 4.31 0.02 1 191 41 20 PRO CB C 31.9 0.1 1 192 41 20 PRO HB2 H 1.77 0.02 2 193 41 20 PRO HB3 H 2.13 0.02 2 194 41 20 PRO CG C 27.2 0.1 1 195 41 20 PRO HG2 H 1.83 0.02 2 196 41 20 PRO HG3 H 1.86 0.02 2 197 41 20 PRO HD2 H 3.49 0.02 2 198 41 20 PRO HD3 H 3.66 0.02 2 199 42 21 SER N N 116.1 0.1 1 200 42 21 SER H H 8.34 0.02 1 201 42 21 SER CA C 58.2 0.1 1 202 42 21 SER HA H 4.33 0.02 1 203 42 21 SER CB C 63.7 0.1 1 204 42 21 SER HB2 H 3.74 0.02 2 205 42 21 SER HB3 H 3.84 0.02 2 206 43 22 THR N N 115.3 0.1 1 207 43 22 THR H H 8.05 0.02 1 208 43 22 THR CA C 62.0 0.1 1 209 43 22 THR HA H 4.15 0.02 1 210 43 22 THR CB C 69.4 0.1 1 211 43 22 THR HB H 4.13 0.02 1 212 43 22 THR HG2 H 1.08 0.02 1 213 43 22 THR CG2 C 21.7 0.1 1 214 44 23 ALA N N 125.8 0.1 1 215 44 23 ALA H H 8.12 0.02 1 216 44 23 ALA CA C 53.0 0.1 1 217 44 23 ALA HA H 4.15 0.02 1 218 44 23 ALA HB H 1.25 0.02 1 219 44 23 ALA CB C 19.0 0.1 1 220 45 24 GLN N N 119.6 0.1 1 221 45 24 GLN H H 8.12 0.02 1 222 45 24 GLN CA C 55.9 0.1 1 223 45 24 GLN HA H 4.15 0.02 1 224 45 24 GLN CB C 29.3 0.1 1 225 45 24 GLN HB2 H 1.86 0.02 2 226 45 24 GLN HB3 H 1.93 0.02 2 227 45 24 GLN CG C 33.8 0.1 1 228 45 24 GLN HG2 H 2.22 0.02 1 229 45 24 GLN HG3 H 2.22 0.02 1 230 45 24 GLN NE2 N 112.3 0.1 1 231 45 24 GLN HE21 H 6.74 0.02 2 232 45 24 GLN HE22 H 7.40 0.02 2 233 46 25 ILE N N 122.3 0.1 1 234 46 25 ILE H H 8.09 0.02 1 235 46 25 ILE CA C 61.6 0.1 1 236 46 25 ILE HA H 4.05 0.02 1 237 46 25 ILE CB C 38.6 0.1 1 238 46 25 ILE HB H 1.75 0.02 1 239 46 25 ILE HG2 H 0.77 0.02 1 240 46 25 ILE CG2 C 17.3 0.1 1 241 46 25 ILE CG1 C 27.2 0.1 1 242 46 25 ILE HG12 H 1.04 0.02 2 243 46 25 ILE HG13 H 1.35 0.02 2 244 46 25 ILE HD1 H 0.70 0.02 1 245 46 25 ILE CD1 C 12.9 0.1 1 246 47 26 THR N N 118.0 0.1 1 247 47 26 THR H H 8.12 0.02 1 248 47 26 THR CA C 62.3 0.1 1 249 47 26 THR HA H 4.18 0.02 1 250 47 26 THR CB C 69.6 0.1 1 251 47 26 THR HB H 4.13 0.02 1 252 47 26 THR HG2 H 1.08 0.02 1 253 47 26 THR CG2 C 21.5 0.1 1 254 48 27 GLU N N 122.7 0.1 1 255 48 27 GLU H H 8.30 0.02 1 256 48 27 GLU CA C 57.0 0.1 1 257 48 27 GLU HA H 4.11 0.02 1 258 48 27 GLU CB C 29.3 0.1 1 259 48 27 GLU HB2 H 1.87 0.02 2 260 48 27 GLU HB3 H 1.93 0.02 2 261 48 27 GLU CG C 35.0 0.1 1 262 48 27 GLU HG2 H 2.23 0.02 1 263 48 27 GLU HG3 H 2.23 0.02 1 264 49 28 ALA N N 123.8 0.1 1 265 49 28 ALA H H 8.15 0.02 1 266 49 28 ALA CA C 53.2 0.1 1 267 49 28 ALA HA H 4.12 0.02 1 268 49 28 ALA HB H 1.27 0.02 1 269 49 28 ALA CB C 18.8 0.1 1 270 50 29 GLN N N 119.0 0.1 1 271 50 29 GLN H H 8.08 0.02 1 272 50 29 GLN CA C 56.3 0.1 1 273 50 29 GLN HA H 4.12 0.02 1 274 50 29 GLN CB C 29.1 0.1 1 275 50 29 GLN HB2 H 1.95 0.02 1 276 50 29 GLN HB3 H 1.95 0.02 1 277 50 29 GLN CG C 34.0 0.1 1 278 50 29 GLN HG2 H 2.23 0.02 1 279 50 29 GLN HG3 H 2.23 0.02 1 280 50 29 GLN NE2 N 112.1 0.1 1 281 50 29 GLN HE21 H 6.75 0.02 2 282 50 29 GLN HE22 H 7.40 0.02 2 283 51 30 VAL N N 120.5 0.1 1 284 51 30 VAL H H 7.94 0.02 1 285 51 30 VAL CA C 63.1 0.1 1 286 51 30 VAL HA H 3.87 0.02 1 287 51 30 VAL CB C 32.5 0.1 1 288 51 30 VAL HB H 1.97 0.02 1 289 51 30 VAL HG1 H 0.74 0.02 2 290 51 30 VAL HG2 H 0.81 0.02 2 291 51 30 VAL CG1 C 20.9 0.1 1 292 51 30 VAL CG2 C 20.7 0.1 1 293 52 31 ALA N N 125.8 0.1 1 294 52 31 ALA H H 8.25 0.02 1 295 52 31 ALA CA C 53.4 0.1 1 296 52 31 ALA HA H 4.05 0.02 1 297 52 31 ALA HB H 1.28 0.02 1 298 52 31 ALA CB C 18.8 0.1 1 299 53 32 GLU N N 118.4 0.1 1 300 53 32 GLU H H 8.11 0.02 1 301 53 32 GLU CA C 57.0 0.1 1 302 53 32 GLU HA H 3.99 0.02 1 303 53 32 GLU CB C 29.3 0.1 1 304 53 32 GLU HB2 H 1.83 0.02 2 305 53 32 GLU HB3 H 1.86 0.02 2 306 53 32 GLU CG C 35.3 0.1 1 307 53 32 GLU HG2 H 2.20 0.02 1 308 53 32 GLU HG3 H 2.20 0.02 1 309 54 33 ASN N N 117.2 0.1 1 310 54 33 ASN H H 7.83 0.02 1 311 54 33 ASN CA C 52.3 0.1 1 312 54 33 ASN HA H 4.22 0.02 1 313 54 33 ASN CB C 38.8 0.1 1 314 54 33 ASN HB2 H 2.41 0.02 2 315 54 33 ASN HB3 H 2.51 0.02 2 316 54 33 ASN ND2 N 112.3 0.1 1 317 54 33 ASN HD21 H 6.75 0.02 2 318 54 33 ASN HD22 H 7.38 0.02 2 319 55 34 ARG N N 121.9 0.1 1 320 55 34 ARG H H 7.70 0.02 1 321 55 34 ARG CA C 54.2 0.1 1 322 55 34 ARG HA H 4.45 0.02 1 323 55 34 ARG CB C 30.0 0.1 1 324 55 34 ARG HB2 H 1.67 0.02 2 325 55 34 ARG HB3 H 1.70 0.02 2 326 55 34 ARG CG C 26.6 0.1 1 327 55 34 ARG HG2 H 1.50 0.02 2 328 55 34 ARG HG3 H 1.60 0.02 2 329 55 34 ARG CD C 43.7 0.1 1 330 55 34 ARG HD2 H 3.12 0.02 1 331 55 34 ARG HD3 H 3.12 0.02 1 332 55 34 ARG NE N 84.5 0.1 1 333 55 34 ARG HE H 7.24 0.02 1 334 56 35 PRO CD C 50.4 0.1 1 335 56 35 PRO CA C 63.9 0.1 1 336 56 35 PRO HA H 4.37 0.02 1 337 56 35 PRO CB C 31.7 0.1 1 338 56 35 PRO HB2 H 1.85 0.02 2 339 56 35 PRO HB3 H 2.26 0.02 2 340 56 35 PRO CG C 28.1 0.1 1 341 56 35 PRO HG2 H 1.90 0.02 2 342 56 35 PRO HG3 H 2.06 0.02 2 343 56 35 PRO HD2 H 3.52 0.02 2 344 56 35 PRO HD3 H 3.77 0.02 2 345 57 36 GLY N N 111.4 0.1 1 346 57 36 GLY H H 9.43 0.02 1 347 57 36 GLY CA C 44.5 0.1 1 348 57 36 GLY HA2 H 3.19 0.02 2 349 57 36 GLY HA3 H 3.92 0.02 2 350 58 37 ALA N N 120.5 0.1 1 351 58 37 ALA H H 7.80 0.02 1 352 58 37 ALA CA C 53.0 0.1 1 353 58 37 ALA HA H 3.98 0.02 1 354 58 37 ALA HB H 1.47 0.02 1 355 58 37 ALA CB C 20.1 0.1 1 356 59 38 PHE N N 119.3 0.1 1 357 59 38 PHE H H 8.78 0.02 1 358 59 38 PHE CA C 55.1 0.1 1 359 59 38 PHE HA H 5.00 0.02 1 360 59 38 PHE CB C 39.5 0.1 1 361 59 38 PHE HB2 H 2.87 0.02 2 362 59 38 PHE HB3 H 3.12 0.02 2 363 59 38 PHE HD1 H 7.20 0.02 1 364 59 38 PHE HD2 H 7.20 0.02 1 365 59 38 PHE HE1 H 7.01 0.02 1 366 59 38 PHE HE2 H 7.01 0.02 1 367 59 38 PHE CD1 C 130.5 0.1 1 368 59 38 PHE CE1 C 130.8 0.1 1 369 59 38 PHE CZ C 128.5 0.1 1 370 59 38 PHE HZ H 6.86 0.02 1 371 60 39 ILE N N 123.0 0.1 1 372 60 39 ILE H H 8.18 0.02 1 373 60 39 ILE CA C 61.0 0.1 1 374 60 39 ILE HA H 4.00 0.02 1 375 60 39 ILE CB C 39.9 0.1 1 376 60 39 ILE HB H 1.11 0.02 1 377 60 39 ILE HG2 H 0.80 0.02 1 378 60 39 ILE CG2 C 17.5 0.1 1 379 60 39 ILE CG1 C 27.2 0.1 1 380 60 39 ILE HG12 H 0.64 0.02 2 381 60 39 ILE HG13 H 1.19 0.02 2 382 60 39 ILE HD1 H 0.45 0.02 1 383 60 39 ILE CD1 C 13.5 0.1 1 384 61 40 LYS N N 127.1 0.1 1 385 61 40 LYS H H 8.71 0.02 1 386 61 40 LYS CA C 55.3 0.1 1 387 61 40 LYS HA H 4.76 0.02 1 388 61 40 LYS CB C 33.4 0.1 1 389 61 40 LYS HB2 H 1.60 0.02 2 390 61 40 LYS HB3 H 1.71 0.02 2 391 61 40 LYS CG C 25.3 0.1 1 392 61 40 LYS HG2 H 0.99 0.02 2 393 61 40 LYS HG3 H 1.18 0.02 2 394 61 40 LYS CD C 29.8 0.1 1 395 61 40 LYS HD2 H 1.47 0.02 2 396 61 40 LYS HD3 H 1.54 0.02 2 397 61 40 LYS CE C 42.0 0.1 1 398 61 40 LYS HE2 H 2.59 0.02 2 399 61 40 LYS HE3 H 2.70 0.02 2 400 62 41 GLN H H 9.90 0.02 1 401 62 41 GLN CA C 55.7 0.1 1 402 62 41 GLN HA H 4.40 0.02 1 403 62 41 GLN CB C 29.6 0.1 1 404 62 41 GLN HB2 H 2.18 0.02 2 405 62 41 GLN HB3 H 2.23 0.02 2 406 62 41 GLN CG C 34.8 0.1 1 407 62 41 GLN HG2 H 2.16 0.02 2 408 62 41 GLN HG3 H 2.22 0.02 2 409 62 41 GLN NE2 N 111.4 0.1 1 410 62 41 GLN HE21 H 6.70 0.02 2 411 62 41 GLN HE22 H 7.43 0.02 2 412 63 42 GLY N N 110.0 0.1 1 413 63 42 GLY H H 8.74 0.02 1 414 63 42 GLY CA C 46.4 0.1 1 415 63 42 GLY HA2 H 3.63 0.02 2 416 63 42 GLY HA3 H 3.94 0.02 2 417 64 43 ARG N N 120.3 0.1 1 418 64 43 ARG H H 9.03 0.02 1 419 64 43 ARG CA C 55.9 0.1 1 420 64 43 ARG HA H 4.19 0.02 1 421 64 43 ARG CB C 31.2 0.1 1 422 64 43 ARG HB2 H 1.54 0.02 2 423 64 43 ARG HB3 H 1.70 0.02 2 424 64 43 ARG CG C 27.5 0.1 1 425 64 43 ARG HG2 H 1.40 0.02 2 426 64 43 ARG HG3 H 1.43 0.02 2 427 64 43 ARG CD C 43.3 0.1 1 428 64 43 ARG HD2 H 2.97 0.02 2 429 64 43 ARG HD3 H 3.03 0.02 2 430 64 43 ARG NE N 84.7 0.1 1 431 64 43 ARG HE H 7.10 0.02 1 432 65 44 LYS N N 123.4 0.1 1 433 65 44 LYS H H 8.23 0.02 1 434 65 44 LYS CA C 55.9 0.1 1 435 65 44 LYS HA H 3.94 0.02 1 436 65 44 LYS CB C 31.9 0.1 1 437 65 44 LYS HB2 H 0.08 0.02 2 438 65 44 LYS HB3 H 1.28 0.02 2 439 65 44 LYS CG C 25.1 0.1 1 440 65 44 LYS HG2 H 0.63 0.02 2 441 65 44 LYS HG3 H 0.94 0.02 2 442 65 44 LYS CD C 29.1 0.1 1 443 65 44 LYS HD2 H 1.16 0.02 2 444 65 44 LYS HD3 H 1.25 0.02 2 445 65 44 LYS CE C 41.6 0.1 1 446 65 44 LYS HE2 H 2.60 0.02 2 447 65 44 LYS HE3 H 2.64 0.02 2 448 66 45 LEU N N 128.9 0.1 1 449 66 45 LEU H H 8.74 0.02 1 450 66 45 LEU CA C 54.7 0.1 1 451 66 45 LEU HA H 4.26 0.02 1 452 66 45 LEU CB C 42.4 0.1 1 453 66 45 LEU HB2 H 1.17 0.02 2 454 66 45 LEU HB3 H 1.63 0.02 2 455 66 45 LEU CG C 27.2 0.1 1 456 66 45 LEU HG H 1.68 0.02 1 457 66 45 LEU HD1 H 0.70 0.02 2 458 66 45 LEU HD2 H 0.81 0.02 2 459 66 45 LEU CD1 C 22.2 0.1 1 460 66 45 LEU CD2 C 26.4 0.1 1 461 67 46 ASP N N 120.7 0.1 1 462 67 46 ASP H H 8.46 0.02 1 463 67 46 ASP CA C 52.5 0.1 1 464 67 46 ASP HA H 4.60 0.02 1 465 67 46 ASP CB C 39.0 0.1 1 466 67 46 ASP HB2 H 2.40 0.02 2 467 67 46 ASP HB3 H 2.59 0.02 2 468 68 47 ILE N N 123.1 0.1 1 469 68 47 ILE H H 6.79 0.02 1 470 68 47 ILE CA C 59.5 0.1 1 471 68 47 ILE HA H 3.52 0.02 1 472 68 47 ILE CB C 41.6 0.1 1 473 68 47 ILE HB H 0.55 0.02 1 474 68 47 ILE HG2 H -0.43 0.02 1 475 68 47 ILE CG2 C 16.1 0.1 1 476 68 47 ILE CG1 C 27.4 0.1 1 477 68 47 ILE HG12 H 0.43 0.02 2 478 68 47 ILE HG13 H 0.96 0.02 2 479 68 47 ILE HD1 H 0.40 0.02 1 480 68 47 ILE CD1 C 14.6 0.1 1 481 69 48 ASP N N 123.2 0.1 1 482 69 48 ASP H H 7.89 0.02 1 483 69 48 ASP CA C 52.3 0.1 1 484 69 48 ASP HA H 4.64 0.02 1 485 69 48 ASP CB C 40.7 0.1 1 486 69 48 ASP HB2 H 2.32 0.02 2 487 69 48 ASP HB3 H 2.54 0.02 2 488 70 49 PHE N N 126.4 0.1 1 489 70 49 PHE H H 9.51 0.02 1 490 70 49 PHE CA C 58.2 0.1 1 491 70 49 PHE HA H 4.25 0.02 1 492 70 49 PHE CB C 39.5 0.1 1 493 70 49 PHE HB2 H 2.44 0.02 2 494 70 49 PHE HB3 H 3.18 0.02 2 495 70 49 PHE HD1 H 6.97 0.02 1 496 70 49 PHE HD2 H 6.97 0.02 1 497 70 49 PHE HE1 H 6.28 0.02 1 498 70 49 PHE HE2 H 6.28 0.02 1 499 70 49 PHE CD1 C 131.0 0.1 1 500 70 49 PHE CE1 C 131.2 0.1 1 501 70 49 PHE CZ C 128.0 0.1 1 502 70 49 PHE HZ H 5.99 0.02 1 503 71 50 GLY N N 109.7 0.1 1 504 71 50 GLY H H 8.03 0.02 1 505 71 50 GLY CA C 44.1 0.1 1 506 71 50 GLY HA2 H 3.72 0.02 2 507 71 50 GLY HA3 H 4.34 0.02 2 508 72 51 ALA N N 121.6 0.1 1 509 72 51 ALA H H 8.36 0.02 1 510 72 51 ALA CA C 57.0 0.1 1 511 72 51 ALA HA H 3.98 0.02 1 512 72 51 ALA HB H 1.36 0.02 1 513 72 51 ALA CB C 18.6 0.1 1 514 73 52 GLU N N 117.4 0.1 1 515 73 52 GLU H H 8.60 0.02 1 516 73 52 GLU CA C 59.5 0.1 1 517 73 52 GLU HA H 3.99 0.02 1 518 73 52 GLU CB C 29.1 0.1 1 519 73 52 GLU HB2 H 1.90 0.02 1 520 73 52 GLU HB3 H 1.90 0.02 1 521 73 52 GLU CG C 36.3 0.1 1 522 73 52 GLU HG2 H 2.22 0.02 2 523 73 52 GLU HG3 H 2.25 0.02 2 524 74 53 GLY N N 109.8 0.1 1 525 74 53 GLY H H 8.92 0.02 1 526 74 53 GLY CA C 47.1 0.1 1 527 74 53 GLY HA2 H 3.44 0.02 1 528 74 53 GLY HA3 H 3.44 0.02 1 529 75 54 ASN N N 121.0 0.1 1 530 75 54 ASN H H 9.22 0.02 1 531 75 54 ASN CA C 55.9 0.1 1 532 75 54 ASN HA H 4.71 0.02 1 533 75 54 ASN CB C 37.2 0.1 1 534 75 54 ASN HB2 H 2.82 0.02 2 535 75 54 ASN HB3 H 2.86 0.02 2 536 75 54 ASN ND2 N 110.4 0.1 1 537 75 54 ASN HD21 H 7.03 0.02 2 538 75 54 ASN HD22 H 7.24 0.02 2 539 76 55 ARG N N 120.1 0.1 1 540 76 55 ARG H H 7.45 0.02 1 541 76 55 ARG CA C 59.3 0.1 1 542 76 55 ARG HA H 4.03 0.02 1 543 76 55 ARG CB C 30.0 0.1 1 544 76 55 ARG HB2 H 1.89 0.02 2 545 76 55 ARG HB3 H 1.91 0.02 2 546 76 55 ARG CG C 27.4 0.1 1 547 76 55 ARG HG2 H 1.58 0.02 2 548 76 55 ARG HG3 H 1.76 0.02 2 549 76 55 ARG CD C 43.5 0.1 1 550 76 55 ARG HD2 H 3.17 0.02 2 551 76 55 ARG HD3 H 3.20 0.02 2 552 76 55 ARG NE N 84.3 0.1 1 553 76 55 ARG HE H 7.25 0.02 1 554 77 56 TYR N N 120.0 0.1 1 555 77 56 TYR H H 7.65 0.02 1 556 77 56 TYR CA C 62.0 0.1 1 557 77 56 TYR HA H 4.02 0.02 1 558 77 56 TYR CB C 39.3 0.1 1 559 77 56 TYR HB2 H 2.85 0.02 2 560 77 56 TYR HB3 H 3.06 0.02 2 561 77 56 TYR HD1 H 6.84 0.02 1 562 77 56 TYR HD2 H 6.84 0.02 1 563 77 56 TYR HE1 H 6.72 0.02 1 564 77 56 TYR HE2 H 6.72 0.02 1 565 77 56 TYR CD1 C 132.6 0.1 1 566 77 56 TYR CE1 C 117.7 0.1 1 567 77 56 TYR HH H 5.96 0.02 1 568 78 57 TYR N N 121.7 0.1 1 569 78 57 TYR H H 9.34 0.02 1 570 78 57 TYR CA C 62.7 0.1 1 571 78 57 TYR HA H 3.52 0.02 1 572 78 57 TYR CB C 38.8 0.1 1 573 78 57 TYR HB2 H 2.41 0.02 2 574 78 57 TYR HB3 H 2.83 0.02 2 575 78 57 TYR HD1 H 6.47 0.02 1 576 78 57 TYR HD2 H 6.47 0.02 1 577 78 57 TYR HE1 H 6.84 0.02 1 578 78 57 TYR HE2 H 6.84 0.02 1 579 78 57 TYR CD1 C 132.7 0.1 1 580 78 57 TYR CE1 C 117.4 0.1 1 581 79 58 GLU N N 116.0 0.1 1 582 79 58 GLU H H 8.43 0.02 1 583 79 58 GLU CA C 59.5 0.1 1 584 79 58 GLU HA H 3.70 0.02 1 585 79 58 GLU CB C 28.5 0.1 1 586 79 58 GLU HB2 H 2.03 0.02 2 587 79 58 GLU HB3 H 2.16 0.02 2 588 79 58 GLU CG C 35.3 0.1 1 589 79 58 GLU HG2 H 2.42 0.02 2 590 79 58 GLU HG3 H 2.46 0.02 2 591 80 59 ALA N N 115.7 0.1 1 592 80 59 ALA H H 6.74 0.02 1 593 80 59 ALA CA C 52.8 0.1 1 594 80 59 ALA HA H 4.34 0.02 1 595 80 59 ALA HB H 1.27 0.02 1 596 80 59 ALA CB C 20.1 0.1 1 597 81 60 ASN N N 112.3 0.1 1 598 81 60 ASN H H 7.22 0.02 1 599 81 60 ASN CA C 53.2 0.1 1 600 81 60 ASN HA H 4.13 0.02 1 601 81 60 ASN CB C 40.5 0.1 1 602 81 60 ASN HB2 H 1.59 0.02 2 603 81 60 ASN HB3 H 2.16 0.02 2 604 81 60 ASN ND2 N 116.8 0.1 1 605 81 60 ASN HD21 H 5.99 0.02 2 606 81 60 ASN HD22 H 6.72 0.02 2 607 82 61 TYR N N 119.3 0.1 1 608 82 61 TYR H H 7.29 0.02 1 609 82 61 TYR CA C 61.4 0.1 1 610 82 61 TYR HA H 3.64 0.02 1 611 82 61 TYR CB C 35.7 0.1 1 612 82 61 TYR HB2 H 2.12 0.02 2 613 82 61 TYR HB3 H 2.30 0.02 2 614 82 61 TYR HD1 H 6.77 0.02 1 615 82 61 TYR HD2 H 6.77 0.02 1 616 82 61 TYR HE1 H 6.86 0.02 1 617 82 61 TYR HE2 H 6.86 0.02 1 618 82 61 TYR CD1 C 133.8 0.1 1 619 82 61 TYR CE1 C 118.4 0.1 1 620 83 62 TRP N N 120.0 0.1 1 621 83 62 TRP H H 6.01 0.02 1 622 83 62 TRP CA C 57.0 0.1 1 623 83 62 TRP HA H 4.10 0.02 1 624 83 62 TRP CB C 27.2 0.1 1 625 83 62 TRP HB2 H 2.57 0.02 2 626 83 62 TRP HB3 H 3.21 0.02 2 627 83 62 TRP CD1 C 126.0 0.1 1 628 83 62 TRP CE3 C 119.9 0.1 1 629 83 62 TRP NE1 N 130.4 0.1 1 630 83 62 TRP HD1 H 6.47 0.02 1 631 83 62 TRP HE3 H 6.75 0.02 1 632 83 62 TRP CZ3 C 122.7 0.1 1 633 83 62 TRP CZ2 C 114.6 0.1 1 634 83 62 TRP HE1 H 9.96 0.02 1 635 83 62 TRP HZ3 H 6.84 0.02 1 636 83 62 TRP CH2 C 125.4 0.1 1 637 83 62 TRP HZ2 H 7.34 0.02 1 638 83 62 TRP HH2 H 7.04 0.02 1 639 84 63 GLN N N 118.2 0.1 1 640 84 63 GLN H H 7.36 0.02 1 641 84 63 GLN CA C 55.9 0.1 1 642 84 63 GLN HA H 3.91 0.02 1 643 84 63 GLN CB C 28.3 0.1 1 644 84 63 GLN HB2 H 1.16 0.02 2 645 84 63 GLN HB3 H 1.47 0.02 2 646 84 63 GLN CG C 32.7 0.1 1 647 84 63 GLN HG2 H 0.84 0.02 2 648 84 63 GLN HG3 H 1.22 0.02 2 649 84 63 GLN NE2 N 110.8 0.1 1 650 84 63 GLN HE21 H 6.28 0.02 2 651 84 63 GLN HE22 H 6.50 0.02 2 652 85 64 PHE N N 119.2 0.1 1 653 85 64 PHE H H 7.47 0.02 1 654 85 64 PHE CA C 56.3 0.1 1 655 85 64 PHE HA H 4.39 0.02 1 656 85 64 PHE CB C 40.3 0.1 1 657 85 64 PHE HB2 H 2.96 0.02 2 658 85 64 PHE HB3 H 3.00 0.02 2 659 85 64 PHE HD1 H 6.95 0.02 1 660 85 64 PHE HD2 H 6.95 0.02 1 661 85 64 PHE HE1 H 6.71 0.02 1 662 85 64 PHE HE2 H 6.71 0.02 1 663 85 64 PHE CD1 C 131.8 0.1 1 664 85 64 PHE CE1 C 130.1 0.1 1 665 85 64 PHE HZ H 6.84 0.02 1 666 86 65 PRO CD C 49.6 0.1 1 667 86 65 PRO CA C 62.5 0.1 1 668 86 65 PRO HA H 4.46 0.02 1 669 86 65 PRO CB C 34.6 0.1 1 670 86 65 PRO HB2 H 2.00 0.02 2 671 86 65 PRO HB3 H 2.26 0.02 2 672 86 65 PRO HD2 H 2.98 0.02 2 673 86 65 PRO HD3 H 3.27 0.02 2 674 87 66 ASP N N 117.3 0.1 1 675 87 66 ASP H H 9.02 0.02 1 676 87 66 ASP HA H 4.68 0.02 1 677 88 67 GLY N N 104.4 0.1 1 678 88 67 GLY H H 7.78 0.02 1 679 88 67 GLY CA C 45.8 0.1 1 680 88 67 GLY HA2 H 3.74 0.02 2 681 88 67 GLY HA3 H 4.20 0.02 2 682 89 68 ILE N N 119.2 0.1 1 683 89 68 ILE H H 8.68 0.02 1 684 89 68 ILE CA C 60.4 0.1 1 685 89 68 ILE HA H 4.67 0.02 1 686 89 68 ILE HG2 H 0.69 0.02 1 687 89 68 ILE CG2 C 17.7 0.1 1 688 89 68 ILE CG1 C 17.3 0.1 1 689 89 68 ILE HG12 H 1.45 0.02 2 690 89 68 ILE HG13 H 1.19 0.02 2 691 89 68 ILE HD1 H 0.46 0.02 1 692 89 68 ILE CD1 C 13.5 0.1 1 693 90 69 HIS N N 126.0 0.1 1 694 90 69 HIS H H 9.28 0.02 1 695 90 69 HIS HA H 4.67 0.02 1 696 90 69 HIS CB C 54.9 0.1 1 697 90 69 HIS HB2 H 3.10 0.02 2 698 90 69 HIS HB3 H 3.22 0.02 2 699 90 69 HIS HD2 H 6.91 0.02 1 700 90 69 HIS HE1 H 8.47 0.02 1 701 91 70 TYR CA C 59.5 0.1 1 702 91 70 TYR HA H 4.26 0.02 1 703 91 70 TYR CB C 40.7 0.1 1 704 91 70 TYR HB2 H 2.34 0.02 2 705 91 70 TYR HB3 H 2.89 0.02 2 706 91 70 TYR HD1 H 6.59 0.02 1 707 91 70 TYR HD2 H 6.59 0.02 1 708 91 70 TYR HE1 H 6.07 0.02 1 709 91 70 TYR HE2 H 6.07 0.02 1 710 91 70 TYR CD1 C 132.1 0.1 1 711 91 70 TYR CE1 C 117.9 0.1 1 712 92 71 ASN N N 127.9 0.1 1 713 92 71 ASN H H 8.60 0.02 1 714 92 71 ASN CA C 52.3 0.1 1 715 92 71 ASN HA H 4.72 0.02 1 716 92 71 ASN CB C 38.0 0.1 1 717 92 71 ASN HB2 H 2.46 0.02 2 718 92 71 ASN HB3 H 2.66 0.02 2 719 92 71 ASN ND2 N 112.3 0.1 1 720 92 71 ASN HD21 H 6.87 0.02 2 721 92 71 ASN HD22 H 7.50 0.02 2 722 93 72 GLY N N 106.7 0.1 1 723 93 72 GLY H H 7.50 0.02 1 724 93 72 GLY CA C 46.0 0.1 1 725 93 72 GLY HA2 H 3.42 0.02 2 726 93 72 GLY HA3 H 3.84 0.02 2 727 94 73 CYS N N 118.2 0.1 1 728 94 73 CYS H H 8.23 0.02 1 729 94 73 CYS HA H 4.68 0.02 1 730 94 73 CYS CB C 39.0 0.1 1 731 94 73 CYS HB2 H 2.77 0.02 2 732 94 73 CYS HB3 H 3.07 0.02 2 733 95 74 SER N N 115.7 0.1 1 734 95 74 SER H H 8.07 0.02 1 735 95 74 SER CA C 59.1 0.1 1 736 95 74 SER HA H 4.23 0.02 1 737 95 74 SER CB C 63.5 0.1 1 738 95 74 SER HB2 H 3.71 0.02 2 739 95 74 SER HB3 H 3.81 0.02 2 740 96 75 GLU N N 121.1 0.1 1 741 96 75 GLU H H 7.80 0.02 1 742 96 75 GLU CA C 56.1 0.1 1 743 96 75 GLU HA H 4.15 0.02 1 744 96 75 GLU CB C 29.6 0.1 1 745 96 75 GLU HB2 H 1.81 0.02 2 746 96 75 GLU HB3 H 1.96 0.02 2 747 96 75 GLU CG C 34.8 0.1 1 748 96 75 GLU HG2 H 2.15 0.02 1 749 96 75 GLU HG3 H 2.15 0.02 1 750 97 76 ALA N N 123.6 0.1 1 751 97 76 ALA H H 8.04 0.02 1 752 97 76 ALA CA C 53.0 0.1 1 753 97 76 ALA HA H 3.73 0.02 1 754 97 76 ALA HB H 1.10 0.02 1 755 97 76 ALA CB C 18.8 0.1 1 756 98 77 ASN N N 115.2 0.1 1 757 98 77 ASN H H 8.02 0.02 1 758 98 77 ASN CA C 53.4 0.1 1 759 98 77 ASN HA H 4.40 0.02 1 760 98 77 ASN CB C 37.8 0.1 1 761 98 77 ASN HB2 H 2.69 0.02 1 762 98 77 ASN HB3 H 2.69 0.02 1 763 98 77 ASN ND2 N 112.5 0.1 1 764 98 77 ASN HD21 H 6.74 0.02 2 765 98 77 ASN HD22 H 7.46 0.02 2 766 99 78 VAL N N 119.4 0.1 1 767 99 78 VAL H H 7.60 0.02 1 768 99 78 VAL CA C 62.0 0.1 1 769 99 78 VAL HA H 4.27 0.02 1 770 99 78 VAL CB C 33.4 0.1 1 771 99 78 VAL HB H 2.23 0.02 1 772 99 78 VAL HG1 H 1.12 0.02 2 773 99 78 VAL HG2 H 1.14 0.02 2 774 99 78 VAL CG1 C 21.1 0.1 1 775 99 78 VAL CG2 C 21.1 0.1 1 776 100 79 THR N N 116.0 0.1 1 777 100 79 THR H H 7.93 0.02 1 778 100 79 THR CA C 60.6 0.1 1 779 100 79 THR HA H 4.38 0.02 1 780 100 79 THR CB C 71.3 0.1 1 781 100 79 THR HB H 4.53 0.02 1 782 100 79 THR HG2 H 1.25 0.02 1 783 100 79 THR CG2 C 22.0 0.1 1 784 101 80 LYS N N 122.4 0.1 1 785 101 80 LYS H H 8.52 0.02 1 786 101 80 LYS CA C 59.5 0.1 1 787 101 80 LYS HA H 3.56 0.02 1 788 101 80 LYS CB C 31.7 0.1 1 789 101 80 LYS HB2 H 1.08 0.02 2 790 101 80 LYS HB3 H 1.41 0.02 2 791 101 80 LYS CG C 24.5 0.1 1 792 101 80 LYS HG2 H 0.93 0.02 2 793 101 80 LYS HG3 H 0.94 0.02 2 794 101 80 LYS CD C 29.1 0.1 1 795 101 80 LYS HD2 H 1.33 0.02 2 796 101 80 LYS HD3 H 1.40 0.02 2 797 101 80 LYS CE C 42.2 0.1 1 798 101 80 LYS HE2 H 2.76 0.02 2 799 101 80 LYS HE3 H 2.79 0.02 2 800 102 81 GLU N N 116.8 0.1 1 801 102 81 GLU H H 8.50 0.02 1 802 102 81 GLU CA C 59.7 0.1 1 803 102 81 GLU HA H 3.89 0.02 1 804 102 81 GLU CB C 28.5 0.1 1 805 102 81 GLU HB2 H 1.82 0.02 2 806 102 81 GLU HB3 H 1.93 0.02 2 807 102 81 GLU CG C 35.9 0.1 1 808 102 81 GLU HG2 H 2.18 0.02 2 809 102 81 GLU HG3 H 2.29 0.02 2 810 103 82 ALA N N 122.5 0.1 1 811 103 82 ALA H H 7.75 0.02 1 812 103 82 ALA CA C 54.7 0.1 1 813 103 82 ALA HA H 4.04 0.02 1 814 103 82 ALA HB H 1.41 0.02 1 815 103 82 ALA CB C 18.6 0.1 1 816 104 83 PHE N N 121.9 0.1 1 817 104 83 PHE H H 8.68 0.02 1 818 104 83 PHE CA C 61.2 0.1 1 819 104 83 PHE HA H 4.21 0.02 1 820 104 83 PHE CB C 39.7 0.1 1 821 104 83 PHE HB2 H 3.24 0.02 2 822 104 83 PHE HB3 H 3.50 0.02 2 823 104 83 PHE HD1 H 7.16 0.02 1 824 104 83 PHE HD2 H 7.16 0.02 1 825 104 83 PHE HE1 H 7.40 0.02 1 826 104 83 PHE HE2 H 7.40 0.02 1 827 104 83 PHE CD1 C 132.3 0.1 1 828 104 83 PHE CE1 C 131.5 0.1 1 829 104 83 PHE CZ C 129.5 0.1 1 830 104 83 PHE HZ H 7.29 0.02 1 831 105 84 VAL N N 121.1 0.1 1 832 105 84 VAL H H 8.69 0.02 1 833 105 84 VAL CA C 67.7 0.1 1 834 105 84 VAL HA H 3.23 0.02 1 835 105 84 VAL CB C 31.7 0.1 1 836 105 84 VAL HB H 2.10 0.02 1 837 105 84 VAL HG1 H 0.82 0.02 2 838 105 84 VAL HG2 H 1.11 0.02 2 839 105 84 VAL CG1 C 21.3 0.1 1 840 105 84 VAL CG2 C 24.1 0.1 1 841 106 85 THR N N 116.2 0.1 1 842 106 85 THR H H 7.97 0.02 1 843 106 85 THR CA C 66.9 0.1 1 844 106 85 THR HA H 3.67 0.02 1 845 106 85 THR CB C 68.8 0.1 1 846 106 85 THR HB H 4.02 0.02 1 847 106 85 THR HG2 H 1.09 0.02 1 848 106 85 THR CG2 C 21.7 0.1 1 849 107 86 GLY N N 108.6 0.1 1 850 107 86 GLY H H 7.94 0.02 1 851 107 86 GLY CA C 47.1 0.1 1 852 107 86 GLY HA2 H 3.64 0.02 2 853 107 86 GLY HA3 H 3.75 0.02 2 854 108 87 CYS N N 123.6 0.1 1 855 108 87 CYS H H 7.89 0.02 1 856 108 87 CYS HA H 4.18 0.02 1 857 108 87 CYS CB C 38.0 0.1 1 858 108 87 CYS HB2 H 2.03 0.02 2 859 108 87 CYS HB3 H 2.87 0.02 2 860 109 88 ILE N N 125.0 0.1 1 861 109 88 ILE H H 8.59 0.02 1 862 109 88 ILE CA C 65.6 0.1 1 863 109 88 ILE HA H 3.14 0.02 1 864 109 88 ILE CB C 38.0 0.1 1 865 109 88 ILE HB H 1.69 0.02 1 866 109 88 ILE HG2 H 0.70 0.02 1 867 109 88 ILE CG2 C 17.1 0.1 1 868 109 88 ILE CG1 C 29.1 0.1 1 869 109 88 ILE HG12 H 0.55 0.02 2 870 109 88 ILE HG13 H 1.63 0.02 2 871 109 88 ILE HD1 H 0.60 0.02 1 872 109 88 ILE CD1 C 14.4 0.1 1 873 110 89 ASN N N 118.6 0.1 1 874 110 89 ASN H H 8.29 0.02 1 875 110 89 ASN CA C 55.9 0.1 1 876 110 89 ASN HA H 4.27 0.02 1 877 110 89 ASN CB C 37.6 0.1 1 878 110 89 ASN HB2 H 2.62 0.02 2 879 110 89 ASN HB3 H 2.70 0.02 2 880 110 89 ASN ND2 N 111.0 0.1 1 881 110 89 ASN HD21 H 6.78 0.02 2 882 110 89 ASN HD22 H 7.38 0.02 2 883 111 90 ALA N N 123.0 0.1 1 884 111 90 ALA H H 8.18 0.02 1 885 111 90 ALA CA C 54.9 0.1 1 886 111 90 ALA HA H 4.02 0.02 1 887 111 90 ALA HB H 1.23 0.02 1 888 111 90 ALA CB C 18.2 0.1 1 889 112 91 THR N N 116.3 0.1 1 890 112 91 THR H H 8.02 0.02 1 891 112 91 THR CA C 66.0 0.1 1 892 112 91 THR HA H 4.08 0.02 1 893 112 91 THR CB C 67.9 0.1 1 894 112 91 THR HB H 4.01 0.02 1 895 112 91 THR HG2 H 1.23 0.02 1 896 112 91 THR HG1 H 4.33 0.02 1 897 112 91 THR CG2 C 23.0 0.1 1 898 113 92 GLN N N 121.9 0.1 1 899 113 92 GLN H H 8.06 0.02 1 900 113 92 GLN CA C 59.1 0.1 1 901 113 92 GLN HA H 3.49 0.02 1 902 113 92 GLN CB C 28.5 0.1 1 903 113 92 GLN HB2 H 1.69 0.02 1 904 113 92 GLN HB3 H 1.69 0.02 1 905 113 92 GLN CG C 34.0 0.1 1 906 113 92 GLN HG2 H 1.21 0.02 2 907 113 92 GLN HG3 H 1.87 0.02 2 908 113 92 GLN NE2 N 109.8 0.1 1 909 113 92 GLN HE21 H 6.47 0.02 2 910 113 92 GLN HE22 H 6.65 0.02 2 911 114 93 ALA N N 119.2 0.1 1 912 114 93 ALA H H 7.44 0.02 1 913 114 93 ALA CA C 54.4 0.1 1 914 114 93 ALA HA H 3.98 0.02 1 915 114 93 ALA HB H 1.32 0.02 1 916 114 93 ALA CB C 18.2 0.1 1 917 115 94 ALA N N 117.0 0.1 1 918 115 94 ALA H H 7.84 0.02 1 919 115 94 ALA CA C 53.0 0.1 1 920 115 94 ALA HA H 4.13 0.02 1 921 115 94 ALA HB H 1.24 0.02 1 922 115 94 ALA CB C 19.0 0.1 1 923 116 95 ASN N N 116.3 0.1 1 924 116 95 ASN H H 7.05 0.02 1 925 116 95 ASN CA C 51.1 0.1 1 926 116 95 ASN HA H 5.05 0.02 1 927 116 95 ASN CB C 40.7 0.1 1 928 116 95 ASN HB2 H 2.34 0.02 2 929 116 95 ASN HB3 H 2.38 0.02 2 930 116 95 ASN ND2 N 121.7 0.1 1 931 116 95 ASN HD21 H 6.67 0.02 2 932 116 95 ASN HD22 H 7.92 0.02 2 933 117 96 GLN N N 120.3 0.1 1 934 117 96 GLN H H 8.00 0.02 1 935 117 96 GLN CA C 60.1 0.1 1 936 117 96 GLN HA H 4.09 0.02 1 937 117 96 GLN CB C 28.7 0.1 1 938 117 96 GLN HB2 H 1.96 0.02 2 939 117 96 GLN HB3 H 2.02 0.02 2 940 117 96 GLN CG C 34.0 0.1 1 941 117 96 GLN HG2 H 2.32 0.02 2 942 117 96 GLN HG3 H 2.38 0.02 2 943 117 96 GLN NE2 N 112.1 0.1 1 944 117 96 GLN HE21 H 6.78 0.02 2 945 117 96 GLN HE22 H 7.40 0.02 2 946 118 97 GLY N N 106.3 0.1 1 947 118 97 GLY H H 8.73 0.02 1 948 118 97 GLY CA C 46.9 0.1 1 949 118 97 GLY HA2 H 3.77 0.02 2 950 118 97 GLY HA3 H 3.75 0.02 2 951 119 98 GLU N N 119.0 0.1 1 952 119 98 GLU H H 7.68 0.02 1 953 119 98 GLU CA C 57.8 0.1 1 954 119 98 GLU HA H 4.00 0.02 1 955 119 98 GLU CB C 29.3 0.1 1 956 119 98 GLU HB2 H 1.84 0.02 1 957 119 98 GLU HB3 H 1.84 0.02 1 958 119 98 GLU CG C 35.5 0.1 1 959 119 98 GLU HG2 H 2.17 0.02 2 960 119 98 GLU HG3 H 2.19 0.02 2 961 120 99 PHE N N 114.7 0.1 1 962 120 99 PHE H H 7.53 0.02 1 963 120 99 PHE CA C 59.9 0.1 1 964 120 99 PHE HA H 4.30 0.02 1 965 120 99 PHE CB C 39.9 0.1 1 966 120 99 PHE HB2 H 2.86 0.02 2 967 120 99 PHE HB3 H 3.28 0.02 2 968 120 99 PHE HD1 H 7.29 0.02 1 969 120 99 PHE HD2 H 7.29 0.02 1 970 120 99 PHE HE1 H 6.82 0.02 1 971 120 99 PHE HE2 H 6.82 0.02 1 972 120 99 PHE CD1 C 132.4 0.1 1 973 120 99 PHE CE1 C 130.5 0.1 1 974 120 99 PHE CZ C 128.0 0.1 1 975 120 99 PHE HZ H 6.95 0.02 1 976 121 100 GLN N N 117.0 0.1 1 977 121 100 GLN H H 7.73 0.02 1 978 121 100 GLN CA C 55.5 0.1 1 979 121 100 GLN HA H 4.33 0.02 1 980 121 100 GLN CB C 28.9 0.1 1 981 121 100 GLN HB2 H 1.89 0.02 2 982 121 100 GLN HB3 H 2.08 0.02 2 983 121 100 GLN CG C 33.8 0.1 1 984 121 100 GLN HG2 H 2.31 0.02 2 985 121 100 GLN HG3 H 2.40 0.02 2 986 121 100 GLN NE2 N 111.6 0.1 1 987 121 100 GLN HE21 H 6.72 0.02 2 988 121 100 GLN HE22 H 7.39 0.02 2 989 122 101 LYS N N 120.9 0.1 1 990 122 101 LYS H H 7.44 0.02 1 991 122 101 LYS CA C 54.7 0.1 1 992 122 101 LYS HA H 4.38 0.02 1 993 122 101 LYS CB C 32.3 0.1 1 994 122 101 LYS HB2 H 1.59 0.02 2 995 122 101 LYS HB3 H 1.63 0.02 2 996 122 101 LYS CG C 24.5 0.1 1 997 122 101 LYS HG2 H 1.19 0.02 2 998 122 101 LYS HG3 H 1.25 0.02 2 999 122 101 LYS CD C 29.1 0.1 1 1000 122 101 LYS HD2 H 1.42 0.02 1 1001 122 101 LYS HD3 H 1.42 0.02 1 1002 122 101 LYS CE C 41.8 0.1 1 1003 122 101 LYS HE2 H 2.71 0.02 1 1004 122 101 LYS HE3 H 2.71 0.02 1 1005 123 102 PRO CD C 50.4 0.1 1 1006 123 102 PRO CA C 63.5 0.1 1 1007 123 102 PRO HA H 4.28 0.02 1 1008 123 102 PRO CB C 31.5 0.1 1 1009 123 102 PRO HB2 H 1.79 0.02 2 1010 123 102 PRO HB3 H 2.03 0.02 2 1011 123 102 PRO CG C 27.2 0.1 1 1012 123 102 PRO HG2 H 1.83 0.02 2 1013 123 102 PRO HG3 H 1.86 0.02 2 1014 123 102 PRO HD2 H 3.48 0.02 2 1015 123 102 PRO HD3 H 3.61 0.02 2 1016 124 103 ASP N N 119.3 0.1 1 1017 124 103 ASP H H 8.26 0.02 1 1018 124 103 ASP CA C 54.0 0.1 1 1019 124 103 ASP HA H 4.37 0.02 1 1020 124 103 ASP CB C 40.9 0.1 1 1021 124 103 ASP HB2 H 2.47 0.02 2 1022 124 103 ASP HB3 H 2.52 0.02 2 1023 125 104 ASN N N 117.9 0.1 1 1024 125 104 ASN H H 8.20 0.02 1 1025 125 104 ASN CA C 52.5 0.1 1 1026 125 104 ASN HA H 4.61 0.02 1 1027 125 104 ASN CB C 39.0 0.1 1 1028 125 104 ASN HB2 H 2.60 0.02 2 1029 125 104 ASN HB3 H 2.72 0.02 2 1030 125 104 ASN ND2 N 112.9 0.1 1 1031 125 104 ASN HD21 H 6.51 0.02 2 1032 125 104 ASN HD22 H 7.66 0.02 2 1033 126 105 LYS N N 123.2 0.1 1 1034 126 105 LYS H H 8.46 0.02 1 1035 126 105 LYS CA C 59.5 0.1 1 1036 126 105 LYS HA H 3.87 0.02 1 1037 126 105 LYS CB C 32.3 0.1 1 1038 126 105 LYS HB2 H 1.67 0.02 2 1039 126 105 LYS HB3 H 1.73 0.02 2 1040 126 105 LYS CG C 24.7 0.1 1 1041 126 105 LYS HG2 H 1.27 0.02 2 1042 126 105 LYS HG3 H 1.39 0.02 2 1043 126 105 LYS CD C 28.9 0.1 1 1044 126 105 LYS HD2 H 1.56 0.02 1 1045 126 105 LYS HD3 H 1.56 0.02 1 1046 126 105 LYS CE C 42.0 0.1 1 1047 126 105 LYS HE2 H 2.85 0.02 1 1048 126 105 LYS HE3 H 2.85 0.02 1 1049 127 106 LEU N N 120.7 0.1 1 1050 127 106 LEU H H 8.00 0.02 1 1051 127 106 LEU CA C 57.4 0.1 1 1052 127 106 LEU HA H 3.90 0.02 1 1053 127 106 LEU CB C 40.9 0.1 1 1054 127 106 LEU HB2 H 0.91 0.02 2 1055 127 106 LEU HB3 H 1.12 0.02 2 1056 127 106 LEU CG C 26.8 0.1 1 1057 127 106 LEU HG H 1.06 0.02 1 1058 127 106 LEU HD1 H 0.59 0.02 2 1059 127 106 LEU HD2 H 0.66 0.02 2 1060 127 106 LEU CD1 C 24.9 0.1 1 1061 127 106 LEU CD2 C 23.9 0.1 1 1062 128 107 HIS N N 117.2 0.1 1 1063 128 107 HIS H H 7.71 0.02 1 1064 128 107 HIS CA C 60.1 0.1 1 1065 128 107 HIS HA H 3.71 0.02 1 1066 128 107 HIS CB C 28.9 0.1 1 1067 128 107 HIS HB2 H 3.02 0.02 2 1068 128 107 HIS HB3 H 3.14 0.02 2 1069 128 107 HIS HD2 H 7.83 0.02 1 1070 128 107 HIS HE1 H 8.42 0.02 1 1071 129 108 GLN N N 116.2 0.1 1 1072 129 108 GLN H H 7.70 0.02 1 1073 129 108 GLN CA C 59.1 0.1 1 1074 129 108 GLN HA H 3.93 0.02 1 1075 129 108 GLN CB C 28.9 0.1 1 1076 129 108 GLN HB2 H 2.16 0.02 2 1077 129 108 GLN HB3 H 2.19 0.02 2 1078 129 108 GLN CG C 34.0 0.1 1 1079 129 108 GLN HG2 H 2.39 0.02 2 1080 129 108 GLN HG3 H 2.46 0.02 2 1081 129 108 GLN NE2 N 111.4 0.1 1 1082 129 108 GLN HE21 H 6.83 0.02 2 1083 129 108 GLN HE22 H 7.49 0.02 2 1084 130 109 GLN N N 119.2 0.1 1 1085 130 109 GLN H H 8.17 0.02 1 1086 130 109 GLN CA C 59.3 0.1 1 1087 130 109 GLN HA H 4.04 0.02 1 1088 130 109 GLN CB C 28.7 0.1 1 1089 130 109 GLN HB2 H 2.02 0.02 2 1090 130 109 GLN HB3 H 2.17 0.02 2 1091 130 109 GLN CG C 34.0 0.1 1 1092 130 109 GLN HG2 H 2.27 0.02 2 1093 130 109 GLN HG3 H 2.48 0.02 2 1094 130 109 GLN NE2 N 110.6 0.1 1 1095 130 109 GLN HE21 H 6.67 0.02 2 1096 130 109 GLN HE22 H 7.43 0.02 2 1097 131 110 VAL N N 121.3 0.1 1 1098 131 110 VAL H H 8.14 0.02 1 1099 131 110 VAL CA C 66.0 0.1 1 1100 131 110 VAL HA H 3.25 0.02 1 1101 131 110 VAL CB C 31.0 0.1 1 1102 131 110 VAL HB H 1.62 0.02 1 1103 131 110 VAL HG1 H -0.75 0.02 2 1104 131 110 VAL HG2 H 0.51 0.02 2 1105 131 110 VAL CG1 C 20.7 0.1 1 1106 131 110 VAL CG2 C 23.0 0.1 1 1107 132 111 LEU N N 119.2 0.1 1 1108 132 111 LEU H H 8.17 0.02 1 1109 132 111 LEU CA C 58.2 0.1 1 1110 132 111 LEU HA H 3.83 0.02 1 1111 132 111 LEU CB C 42.2 0.1 1 1112 132 111 LEU HB2 H 1.27 0.02 2 1113 132 111 LEU HB3 H 1.89 0.02 2 1114 132 111 LEU CG C 26.6 0.1 1 1115 132 111 LEU HG H 1.22 0.02 1 1116 132 111 LEU HD1 H 0.28 0.02 2 1117 132 111 LEU HD2 H 0.67 0.02 2 1118 132 111 LEU CD1 C 26.2 0.1 1 1119 132 111 LEU CD2 C 23.0 0.1 1 1120 133 112 TRP N N 117.1 0.1 1 1121 133 112 TRP H H 8.38 0.02 1 1122 133 112 TRP CA C 60.8 0.1 1 1123 133 112 TRP HA H 4.37 0.02 1 1124 133 112 TRP CB C 29.3 0.1 1 1125 133 112 TRP HB2 H 3.25 0.02 2 1126 133 112 TRP HB3 H 3.33 0.02 2 1127 133 112 TRP CD1 C 126.8 0.1 1 1128 133 112 TRP CE3 C 120.1 0.1 1 1129 133 112 TRP NE1 N 128.5 0.1 1 1130 133 112 TRP HD1 H 7.22 0.02 1 1131 133 112 TRP HE3 H 7.51 0.02 1 1132 133 112 TRP CZ3 C 121.2 0.1 1 1133 133 112 TRP CZ2 C 114.6 0.1 1 1134 133 112 TRP HE1 H 10.04 0.02 1 1135 133 112 TRP HZ3 H 6.75 0.02 1 1136 133 112 TRP CH2 C 124.3 0.1 1 1137 133 112 TRP HZ2 H 7.27 0.02 1 1138 133 112 TRP HH2 H 6.90 0.02 1 1139 134 113 ARG N N 118.8 0.1 1 1140 134 113 ARG H H 7.67 0.02 1 1141 134 113 ARG CA C 58.0 0.1 1 1142 134 113 ARG HA H 4.08 0.02 1 1143 134 113 ARG CB C 28.9 0.1 1 1144 134 113 ARG HB2 H 2.00 0.02 2 1145 134 113 ARG HB3 H 2.09 0.02 2 1146 134 113 ARG CG C 27.4 0.1 1 1147 134 113 ARG HG2 H 1.34 0.02 2 1148 134 113 ARG HG3 H 1.65 0.02 2 1149 134 113 ARG CD C 42.2 0.1 1 1150 134 113 ARG HD2 H 3.08 0.02 2 1151 134 113 ARG HD3 H 3.24 0.02 2 1152 134 113 ARG NE N 84.5 0.1 1 1153 134 113 ARG HE H 7.29 0.02 1 1154 135 114 LEU N N 121.1 0.1 1 1155 135 114 LEU H H 8.73 0.02 1 1156 135 114 LEU CA C 58.7 0.1 1 1157 135 114 LEU HA H 3.76 0.02 1 1158 135 114 LEU CB C 42.4 0.1 1 1159 135 114 LEU HB2 H 1.69 0.02 2 1160 135 114 LEU HB3 H 1.73 0.02 2 1161 135 114 LEU CG C 27.2 0.1 1 1162 135 114 LEU HG H 1.40 0.02 1 1163 135 114 LEU HD1 H 0.70 0.02 2 1164 135 114 LEU HD2 H 0.81 0.02 2 1165 135 114 LEU CD1 C 26.0 0.1 1 1166 135 114 LEU CD2 C 26.4 0.1 1 1167 136 115 VAL N N 118.4 0.1 1 1168 136 115 VAL H H 8.44 0.02 1 1169 136 115 VAL CA C 67.3 0.1 1 1170 136 115 VAL HA H 3.40 0.02 1 1171 136 115 VAL CB C 31.5 0.1 1 1172 136 115 VAL HB H 2.14 0.02 1 1173 136 115 VAL HG1 H 0.89 0.02 2 1174 136 115 VAL HG2 H 1.18 0.02 2 1175 136 115 VAL CG1 C 22.2 0.1 1 1176 136 115 VAL CG2 C 23.4 0.1 1 1177 137 116 GLN N N 118.2 0.1 1 1178 137 116 GLN H H 7.73 0.02 1 1179 137 116 GLN CA C 59.9 0.1 1 1180 137 116 GLN HA H 3.44 0.02 1 1181 137 116 GLN CB C 28.3 0.1 1 1182 137 116 GLN HB2 H 1.94 0.02 2 1183 137 116 GLN HB3 H 1.98 0.02 2 1184 137 116 GLN CG C 33.6 0.1 1 1185 137 116 GLN HG2 H 1.90 0.02 2 1186 137 116 GLN HG3 H 2.03 0.02 2 1187 137 116 GLN NE2 N 110.4 0.1 1 1188 137 116 GLN HE21 H 6.58 0.02 2 1189 137 116 GLN HE22 H 6.88 0.02 2 1190 138 117 GLU N N 119.3 0.1 1 1191 138 117 GLU H H 8.23 0.02 1 1192 138 117 GLU CA C 58.7 0.1 1 1193 138 117 GLU HA H 3.94 0.02 1 1194 138 117 GLU CB C 28.5 0.1 1 1195 138 117 GLU HB2 H 1.86 0.02 1 1196 138 117 GLU HB3 H 1.86 0.02 1 1197 138 117 GLU CG C 33.6 0.1 1 1198 138 117 GLU HG2 H 1.96 0.02 2 1199 138 117 GLU HG3 H 2.18 0.02 2 1200 139 118 LEU N N 118.6 0.1 1 1201 139 118 LEU H H 9.01 0.02 1 1202 139 118 LEU CA C 58.0 0.1 1 1203 139 118 LEU HA H 3.91 0.02 1 1204 139 118 LEU CB C 42.0 0.1 1 1205 139 118 LEU HB2 H 1.07 0.02 2 1206 139 118 LEU HB3 H 1.86 0.02 2 1207 139 118 LEU CG C 26.4 0.1 1 1208 139 118 LEU HG H 1.74 0.02 1 1209 139 118 LEU HD1 H 0.41 0.02 2 1210 139 118 LEU HD2 H 0.63 0.02 2 1211 139 118 LEU CD1 C 25.3 0.1 1 1212 139 118 LEU CD2 C 22.2 0.1 1 1213 140 119 CYS N N 116.0 0.1 1 1214 140 119 CYS H H 8.28 0.02 1 1215 140 119 CYS CA C 58.5 0.1 1 1216 140 119 CYS HA H 4.37 0.02 1 1217 140 119 CYS CB C 39.0 0.1 1 1218 140 119 CYS HB2 H 2.69 0.02 2 1219 140 119 CYS HB3 H 2.97 0.02 2 1220 141 120 SER N N 114.5 0.1 1 1221 141 120 SER H H 7.81 0.02 1 1222 141 120 SER CA C 60.8 0.1 1 1223 141 120 SER HA H 4.25 0.02 1 1224 141 120 SER CB C 63.3 0.1 1 1225 141 120 SER HB2 H 3.89 0.02 2 1226 141 120 SER HB3 H 3.98 0.02 2 1227 142 121 LEU N N 120.1 0.1 1 1228 142 121 LEU H H 7.45 0.02 1 1229 142 121 LEU CA C 55.3 0.1 1 1230 142 121 LEU HA H 4.18 0.02 1 1231 142 121 LEU CB C 42.8 0.1 1 1232 142 121 LEU HB2 H 1.55 0.02 2 1233 142 121 LEU HB3 H 1.63 0.02 2 1234 142 121 LEU CG C 26.4 0.1 1 1235 142 121 LEU HG H 1.75 0.02 1 1236 142 121 LEU HD1 H 0.74 0.02 1 1237 142 121 LEU HD2 H 0.74 0.02 1 1238 142 121 LEU CD1 C 25.1 0.1 1 1239 142 121 LEU CD2 C 22.6 0.1 1 1240 143 122 LYS CA C 55.9 0.1 1 1241 143 122 LYS HA H 4.18 0.02 1 1242 144 123 HIS N N 117.0 0.1 1 1243 144 123 HIS H H 8.30 0.02 1 1244 144 123 HIS CA C 54.4 0.1 1 1245 144 123 HIS HA H 4.50 0.02 1 1246 144 123 HIS CB C 30.6 0.1 1 1247 144 123 HIS HB2 H 2.90 0.02 2 1248 144 123 HIS HB3 H 3.04 0.02 2 1249 144 123 HIS HD2 H 6.93 0.02 1 1250 144 123 HIS HE1 H 8.47 0.02 1 1251 145 124 CYS CA C 52.8 0.1 1 1252 145 124 CYS HA H 4.37 0.02 1 1253 146 125 GLU N N 124.1 0.1 1 1254 146 125 GLU H H 8.79 0.02 1 1255 146 125 GLU CA C 57.8 0.1 1 1256 146 125 GLU HA H 3.83 0.02 1 1257 146 125 GLU CB C 28.9 0.1 1 1258 146 125 GLU HB2 H 1.69 0.02 2 1259 146 125 GLU HB3 H 1.71 0.02 2 1260 146 125 GLU CG C 35.0 0.1 1 1261 146 125 GLU HG2 H 2.00 0.02 2 1262 146 125 GLU HG3 H 2.05 0.02 2 1263 147 126 PHE CA C 56.8 0.1 1 1264 147 126 PHE HA H 4.45 0.02 1 1265 147 126 PHE CB C 38.4 0.1 1 1266 147 126 PHE HB2 H 2.90 0.02 2 1267 147 126 PHE HB3 H 3.00 0.02 2 1268 147 126 PHE HD1 H 7.00 0.02 1 1269 147 126 PHE HD2 H 7.00 0.02 1 1270 147 126 PHE HE1 H 7.22 0.02 1 1271 147 126 PHE HE2 H 7.22 0.02 1 1272 147 126 PHE CD1 C 131.8 0.1 1 1273 148 127 TRP N N 121.1 0.1 1 1274 148 127 TRP H H 7.31 0.02 1 1275 148 127 TRP CA C 56.1 0.1 1 1276 148 127 TRP HA H 4.72 0.02 1 1277 148 127 TRP CB C 29.1 0.1 1 1278 148 127 TRP HB2 H 3.03 0.02 2 1279 148 127 TRP HB3 H 3.09 0.02 2 1280 148 127 TRP CD1 C 125.4 0.1 1 1281 148 127 TRP CE3 C 119.9 0.1 1 1282 148 127 TRP NE1 N 128.5 0.1 1 1283 148 127 TRP HD1 H 6.99 0.02 1 1284 148 127 TRP HE3 H 7.34 0.02 1 1285 148 127 TRP CZ3 C 122.0 0.1 1 1286 148 127 TRP CZ2 C 134.7 0.1 1 1287 148 127 TRP HE1 H 10.02 0.02 1 1288 148 127 TRP HZ3 H 6.93 0.02 1 1289 148 127 TRP CH2 C 124.6 0.1 1 1290 148 127 TRP HZ2 H 7.05 0.02 1 1291 148 127 TRP HH2 H 6.64 0.02 1 1292 149 128 LEU N N 122.5 0.1 1 1293 149 128 LEU H H 7.93 0.02 1 1294 149 128 LEU CA C 55.1 0.1 1 1295 149 128 LEU HA H 4.23 0.02 1 1296 149 128 LEU CB C 42.4 0.1 1 1297 149 128 LEU HB2 H 1.42 0.02 2 1298 149 128 LEU HB3 H 1.49 0.02 2 1299 149 128 LEU CG C 24.9 0.1 1 1300 149 128 LEU HG H 0.77 0.02 1 1301 149 128 LEU HD1 H 0.73 0.02 1 1302 149 128 LEU HD2 H 0.73 0.02 1 1303 149 128 LEU CD1 C 23.4 0.1 1 1304 149 128 LEU CD2 C 23.4 0.1 1 1305 150 129 GLU N N 121.3 0.1 1 1306 150 129 GLU H H 8.18 0.02 1 1307 150 129 GLU CA C 55.7 0.1 1 1308 150 129 GLU HA H 4.15 0.02 1 1309 150 129 GLU CB C 29.6 0.1 1 1310 150 129 GLU HB2 H 1.84 0.02 2 1311 150 129 GLU HB3 H 1.95 0.02 2 1312 150 129 GLU CG C 34.8 0.1 1 1313 150 129 GLU HG2 H 2.23 0.02 1 1314 150 129 GLU HG3 H 2.23 0.02 1 1315 151 130 ARG N N 121.9 0.1 1 1316 151 130 ARG H H 8.22 0.02 1 1317 151 130 ARG CA C 55.9 0.1 1 1318 151 130 ARG HA H 4.24 0.02 1 1319 151 130 ARG CB C 30.8 0.1 1 1320 151 130 ARG HB2 H 1.63 0.02 2 1321 151 130 ARG HB3 H 1.75 0.02 2 1322 151 130 ARG CG C 27.0 0.1 1 1323 151 130 ARG HG2 H 1.49 0.02 1 1324 151 130 ARG HG3 H 1.49 0.02 1 1325 151 130 ARG CD C 43.3 0.1 1 1326 151 130 ARG HD2 H 3.04 0.02 1 1327 151 130 ARG HD3 H 3.04 0.02 1 1328 151 130 ARG NE N 81.5 0.1 1 1329 151 130 ARG HE H 7.08 0.02 1 1330 152 131 GLY N N 115.7 0.1 1 1331 152 131 GLY H H 7.96 0.02 1 1332 152 131 GLY CA C 45.8 0.1 1 1333 152 131 GLY HA2 H 3.63 0.02 1 1334 152 131 GLY HA3 H 3.63 0.02 1 stop_ save_