data_5506 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of the central complement control protein module pair of human decay accelerating factor ; _BMRB_accession_number 5506 _BMRB_flat_file_name bmr5506.str _Entry_type original _Submission_date 2002-08-23 _Accession_date 2002-08-26 _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 Uhrinova Stanislava . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 636 "13C chemical shifts" 348 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-12-27 original author . stop_ _Original_release_date 2002-12-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignments of the central complement control protein module pair of human decay accelerating factor (DAF) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Uhrinova Stanislava . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 23 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 167 _Page_last 168 _Year 2002 _Details . loop_ _Keyword 'decay accelerating factor' 'triple resonance experiments' NMR stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Brodbeck, W.G., Mold, C., Atkinson, J.P. and Medof, M.E. (2000) J. Immunol., 165, 3999-4006. ; _Citation_title 'Cooperation between decay-accelerating factor and membrane cofactor protein in protecting cells from autologous complement attack.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11034410 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brodbeck 'W G' G. . 2 Mold C . . 3 Atkinson 'J P' P. . 4 Medof 'M E' E. . stop_ _Journal_abbreviation 'J. Immunol.' _Journal_name_full 'Journal of immunology (Baltimore, Md. : 1950)' _Journal_volume 165 _Journal_issue 7 _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 3999 _Page_last 4006 _Year 2000 _Details ; Decay-accelerating factor (DAF or CD55) and membrane cofactor protein (MCP or CD46) function intrinsically in the membranes of self cells to prevent activation of autologous complement on their surfaces. How these two regulatory proteins cooperate on self-cell surfaces to inhibit autologous complement attack is unknown. In this study, a GPI-anchored form of MCP was generated. The ability of this recombinant protein and that of naturally GPI-anchored DAF to incorporate into cell membranes then was exploited to examine the combined functions of DAF and MCP in regulating complement intermediates assembled from purified alternative pathway components on rabbit erythrocytes. Quantitative studies with complement-coated rabbit erythrocyte intermediates constituted with each protein individually or the two proteins together demonstrated that DAF and MCP synergize the actions of each other in preventing C3b deposition on the cell surface. Further analyses showed that MCP's ability to catalyze the factor I-mediated cleavage of cell-bound C3b is inhibited in the presence of factors B and D and is restored when DAF is incorporated into the cells. Thus, the activities of DAF and MCP, when present together, are greater than the sum of the two proteins individually, and DAF is required for MCP to catalyze the cleavage of cell-bound C3b in the presence of excess factors B and D. These data are relevant to xenotransplantation, pharmacological inhibition of complement in inflammatory diseases, and evasion of tumor cells from humoral immune responses. ; save_ save_ref_2 _Saveframe_category citation _Citation_full ; Lin, F., Immormino, R.M. and Medof, M.E. (2001) Arch. Biochem. Biophys., 393, 67-72. ; _Citation_title 'Bulk production and functional analyses of mouse CD55's native and deglycosylated active domains.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11516162 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin F . . 2 Immormino 'R M' M. . 3 Shoham M . . 4 Medof 'M E' E. . stop_ _Journal_abbreviation 'Arch. Biochem. Biophys.' _Journal_name_full 'Archives of biochemistry and biophysics' _Journal_volume 393 _Journal_issue 1 _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 67 _Page_last 72 _Year 2001 _Details ; We report the use of methylotrophic yeast Pichia pastoris as a host to efficiently express complement control protein repeats (CCPs) 1-4 of mouse decay accelerating factor (DAF, CD55) as a soluble protein. With this system, the mouse DAF CCP1-4-active-domain-containing module linked to a 6x His tag at its C terminus was secreted into the culture supernatant at 15 mg/L after 24 h of induction with methanol. A mouse DAF CCP1-4 mutant protein in which its two potential N-glycosylation sites were deleted by changing Asn(187) and Asn(262) to Gln was also produced. Using Ni(2+)-immobilized agarose affinity chromatography, the recombinant mouse DAF modules with their 6x His tags could be one-step isolated to SDS-PAGE purity. Polyclonal antibody against native mouse DAF CCP1-4 was raised by immunizing NZW rabbits with the purified product. Measurements of the bioactivities of the wild-type and mutant mouse DAF proteins in C3b uptake assays showed no differences in regulatory activities in either the classical or the alternative pathways. With the use of the mutant DAF protein, small rod-shaped crystals were produced and preliminary data obtained. The production of large quantities of functional recombinant mouse DAF CCP1-4 modules and their antibody offers the opportunity to study DAF structure and DAF function in vivo. ; save_ ################################## # Molecular system description # ################################## save_system_DAF-23 _Saveframe_category molecular_system _Mol_system_name 'double module' _Abbreviation_common DAF~23 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DAF subunit 1' $DAF stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'regulator of complement activation' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DAF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'central complement control protein' _Abbreviation_common DAF _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; FRSCEVPTRLNSASLKQPYI TQNYFPVGTVVEYECRPGYR REPSLSPKLTCLQNLKWSTA VEFCKKKSCPNPGEIRNGQI DVPGGILFGATISFSCNTGY KLFGSTSSFCLISGSSVQWS DPLPECREHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 61 PHE 2 62 ARG 3 63 SER 4 64 CYS 5 65 GLU 6 66 VAL 7 67 PRO 8 68 THR 9 69 ARG 10 70 LEU 11 71 ASN 12 72 SER 13 73 ALA 14 74 SER 15 75 LEU 16 76 LYS 17 77 GLN 18 78 PRO 19 79 TYR 20 80 ILE 21 81 THR 22 82 GLN 23 83 ASN 24 84 TYR 25 85 PHE 26 86 PRO 27 87 VAL 28 88 GLY 29 89 THR 30 90 VAL 31 91 VAL 32 92 GLU 33 93 TYR 34 94 GLU 35 95 CYS 36 96 ARG 37 97 PRO 38 98 GLY 39 99 TYR 40 100 ARG 41 101 ARG 42 102 GLU 43 103 PRO 44 104 SER 45 105 LEU 46 106 SER 47 107 PRO 48 108 LYS 49 109 LEU 50 110 THR 51 111 CYS 52 112 LEU 53 113 GLN 54 114 ASN 55 115 LEU 56 116 LYS 57 117 TRP 58 118 SER 59 119 THR 60 120 ALA 61 121 VAL 62 122 GLU 63 123 PHE 64 124 CYS 65 125 LYS 66 126 LYS 67 127 LYS 68 128 SER 69 129 CYS 70 130 PRO 71 131 ASN 72 132 PRO 73 133 GLY 74 134 GLU 75 135 ILE 76 136 ARG 77 137 ASN 78 138 GLY 79 139 GLN 80 140 ILE 81 141 ASP 82 142 VAL 83 143 PRO 84 144 GLY 85 145 GLY 86 146 ILE 87 147 LEU 88 148 PHE 89 149 GLY 90 150 ALA 91 151 THR 92 152 ILE 93 153 SER 94 154 PHE 95 155 SER 96 156 CYS 97 157 ASN 98 158 THR 99 159 GLY 100 160 TYR 101 161 LYS 102 162 LEU 103 163 PHE 104 164 GLY 105 165 SER 106 166 THR 107 167 SER 108 168 SER 109 169 PHE 110 170 CYS 111 171 LEU 112 172 ILE 113 173 SER 114 174 GLY 115 175 SER 116 176 SER 117 177 VAL 118 178 GLN 119 179 TRP 120 180 SER 121 181 ASP 122 182 PRO 123 183 LEU 124 184 PRO 125 185 GLU 126 186 CYS 127 187 ARG 128 188 GLU 129 189 HIS 130 190 HIS 131 191 HIS 132 192 HIS 133 193 HIS 134 194 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16417 DAF1234 96.27 254 98.45 99.22 1.66e-84 PDB 1M11 "Structural Model Of Human Decay-accelerating Factor Bound To Echovirus 7 From Cryo-electron Microscopy" 96.27 243 98.45 99.22 4.93e-85 PDB 1NWV "Solution Structure Of A Functionally Active Component Of Decay Accelerating Factor" 96.27 129 100.00 100.00 1.35e-88 PDB 1OJV "Decay Accelerating Factor (Cd55): The Structure Of An Intact Human Complement Regulator." 96.27 254 98.45 99.22 1.66e-84 PDB 1OJW "Decay Accelerating Factor (Cd55): The Structure Of An Intact Human Complement Regulator." 96.27 254 98.45 99.22 1.66e-84 PDB 1OJY "Decay Accelerating Factor (Cd55): The Structure Of An Intact Human Complement Regulator." 96.27 254 98.45 99.22 1.66e-84 PDB 1OK1 "Decay Accelerating Factor (cd55): The Structure Of An Intact Human Complement Regulator." 96.27 254 98.45 99.22 1.66e-84 PDB 1OK2 "Decay Accelerating Factor (Cd55): The Structure Of An Intact Human Complement Regulator." 96.27 254 98.45 99.22 1.66e-84 PDB 1OK3 "Decay Accelerating Factor (cd55): The Structure Of An Intact Human Complement Regulator" 96.27 254 98.45 99.22 2.40e-84 PDB 1OK9 "Decay Accelerating Factor (Cd55): The Structure Of An Intact Human Complement Regulator." 96.27 254 98.45 99.22 1.66e-84 PDB 2QZH "Scr23 OF DAF FROM THE NMR STRUCTURE 1NWV FITTED INTO A Cryoem Reconstruction Of Cvb3-Rd Complexed With Daf" 96.27 129 100.00 100.00 1.35e-88 PDB 3IYP "The Interaction Of Decay-Accelerating Factor With Echovirus 7" 96.27 381 98.45 99.22 2.27e-84 PDB 3J24 "Cryoem Reconstruction Of Complement Decay-Accelerating Factor" 96.27 254 98.45 99.22 1.66e-84 DBJ BAE97422 "decay-accelerating factor splicing variant 1 [Homo sapiens]" 94.78 439 100.00 100.00 1.58e-83 DBJ BAE97423 "decay-accelerating factor splicing variant 2 [Homo sapiens]" 96.27 364 98.45 99.22 2.05e-84 DBJ BAE97424 "decay-accelerating factor splicing variant 3 [Homo sapiens]" 96.27 384 98.45 99.22 2.58e-84 DBJ BAE97425 "decay-accelerating factor splicing variant 4 [Homo sapiens]" 94.78 525 100.00 100.00 9.18e-85 DBJ BAE97426 "decay-accelerating factor splicing variant 5 [Homo sapiens]" 94.78 551 100.00 100.00 1.44e-84 GB AAA52167 "decay-accelerating factor precursor, partial [Homo sapiens]" 96.27 376 98.45 99.22 3.45e-84 GB AAA52168 "decay-accelerating factor A [Homo sapiens]" 96.27 381 98.45 99.22 2.76e-84 GB AAA52169 "decay-accelerating factor [Homo sapiens]" 96.27 381 98.45 99.22 2.76e-84 GB AAB48622 "decay-acceleration factor [Homo sapiens]" 94.78 347 99.21 100.00 2.53e-84 GB AAF73176 "decay-accelerating factor [Pan troglodytes]" 96.27 347 97.67 97.67 2.55e-83 PRF 1303335A "decay accelerating factor long" 94.78 440 100.00 100.00 1.95e-83 PRF 1303335B "decay accelerating factor short" 96.27 381 98.45 99.22 2.76e-84 REF NP_000565 "complement decay-accelerating factor isoform 1 preproprotein [Homo sapiens]" 96.27 381 98.45 99.22 2.76e-84 REF NP_001108224 "complement decay-accelerating factor isoform 2 precursor [Homo sapiens]" 94.78 440 100.00 100.00 1.95e-83 REF NP_001287831 "complement decay-accelerating factor isoform 5 precursor [Homo sapiens]" 96.27 444 98.45 99.22 1.29e-82 REF NP_001287832 "complement decay-accelerating factor isoform 6 precursor [Homo sapiens]" 94.78 439 100.00 100.00 1.58e-83 REF NP_001287833 "complement decay-accelerating factor isoform 7 precursor [Homo sapiens]" 96.27 384 98.45 99.22 2.58e-84 SP P08174 "RecName: Full=Complement decay-accelerating factor; AltName: CD_antigen=CD55; Flags: Precursor [Homo sapiens]" 96.27 381 98.45 99.22 2.76e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DAF 'Pichia pastoris' 4922 Eukaryota Fungi Pichia pastoris 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 $DAF 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DAF 1 mM 0.8 1.0 '[U-98% 15N; U-98% 13C]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_triple_resonance_experiments:_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'triple resonance experiments:' _Sample_label . save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HBHA(CBCACO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _Sample_label . save_ save_HBHA(CBCA)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCA)NH _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'triple resonance experiments:' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCA)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 5.0 0.15 n/a temperature 310 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'DAF subunit 1' _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 PHE N N 122.13 0.1 1 2 . 1 PHE H H 8.06 0.02 1 3 . 1 PHE CA C 57.66 0.25 1 4 . 1 PHE HA H 4.16 0.02 1 5 . 1 PHE CB C 39.61 0.25 1 6 . 1 PHE HB2 H 3.22 0.02 1 7 . 1 PHE HB3 H 3.00 0.02 1 8 . 2 ARG N N 124.57 0.1 1 9 . 2 ARG H H 8.21 0.02 1 10 . 2 ARG CA C 56.15 0.25 1 11 . 2 ARG HA H 4.41 0.02 1 12 . 2 ARG CB C 31.32 0.25 1 13 . 2 ARG HB2 H 1.61 0.02 1 14 . 2 ARG HB3 H 1.77 0.02 1 15 . 2 ARG HG2 H 1.84 0.02 1 16 . 2 ARG CD C 43.49 0.25 1 17 . 2 ARG HD2 H 3.21 0.02 1 18 . 2 ARG HH11 H 6.69 0.02 1 19 . 2 ARG HH21 H 6.62 0.02 1 20 . 2 ARG HH22 H 6.62 0.02 1 21 . 3 SER N N 116.30 0.1 1 22 . 3 SER H H 7.91 0.02 1 23 . 3 SER CA C 56.41 0.25 1 24 . 3 SER HA H 4.77 0.02 1 25 . 3 SER CB C 66.36 0.25 1 26 . 3 SER HB2 H 3.56 0.02 1 27 . 3 SER HB3 H 3.49 0.02 1 28 . 4 CYS N N 123.47 0.1 1 29 . 4 CYS H H 8.79 0.02 1 30 . 4 CYS CA C 61.73 0.25 1 31 . 4 CYS HA H 4.39 0.02 1 32 . 4 CYS CB C 43.42 0.25 1 33 . 4 CYS HB2 H 2.35 0.02 1 34 . 4 CYS HB3 H 2.90 0.02 1 35 . 5 GLU N N 122.04 0.1 1 36 . 5 GLU H H 8.71 0.02 1 37 . 5 GLU CA C 56.19 0.25 1 38 . 5 GLU HA H 4.57 0.02 1 39 . 5 GLU CB C 31.39 0.25 1 40 . 5 GLU HB2 H 2.14 0.02 1 41 . 5 GLU HB3 H 2.85 0.02 1 42 . 5 GLU CG C 36.62 0.25 1 43 . 6 VAL N N 123.67 0.1 1 44 . 6 VAL H H 8.33 0.02 1 45 . 6 VAL CA C 62.65 0.25 1 46 . 6 VAL HA H 4.15 0.02 1 47 . 6 VAL CB C 33.27 0.25 1 48 . 6 VAL HB H 2.07 0.02 1 49 . 6 VAL CG1 C 21.35 0.25 1 50 . 6 VAL HG1 H 0.94 0.02 1 51 . 6 VAL CG2 C 21.15 0.25 1 52 . 6 VAL HG2 H 0.93 0.02 1 53 . 7 PRO CA C 63.2 0.25 1 54 . 7 PRO HA H 2.79 0.02 1 55 . 7 PRO HD2 H 3.03 0.02 1 56 . 7 PRO HD3 H 3.03 0.02 1 57 . 7 PRO CB C 31.9 0.25 1 58 . 7 PRO HB2 H 0.76 0.02 1 59 . 7 PRO HB3 H 1.26 0.02 1 60 . 7 PRO CG C 27.2 0.25 1 61 . 7 PRO HG2 H 1.11 0.02 1 62 . 7 PRO HG3 H 1.28 0.02 1 63 . 8 THR N N 115.81 0.1 1 64 . 8 THR H H 6.52 0.02 1 65 . 8 THR CA C 63.20 0.25 1 66 . 8 THR HA H 3.77 0.02 1 67 . 8 THR CB C 70.12 0.25 1 68 . 8 THR HB H 3.60 0.02 1 69 . 8 THR CG2 C 22.02 0.25 1 70 . 8 THR HG2 H 1.09 0.02 1 71 . 9 ARG N N 130.01 0.1 1 72 . 9 ARG H H 8.49 0.02 1 73 . 9 ARG CA C 56.80 0.25 1 74 . 9 ARG HA H 4.41 0.02 1 75 . 9 ARG CB C 30.44 0.25 1 76 . 9 ARG HB2 H 1.63 0.02 1 77 . 9 ARG HB3 H 1.78 0.02 1 78 . 9 ARG HD2 H 3.20 0.02 1 79 . 9 ARG HD3 H 3.20 0.02 1 80 . 10 LEU N N 128.17 0.1 1 81 . 10 LEU H H 8.89 0.02 1 82 . 10 LEU CA C 53.67 0.25 1 83 . 10 LEU HA H 4.61 0.02 1 84 . 10 LEU CB C 44.37 0.25 1 85 . 10 LEU HB2 H 1.58 0.02 1 86 . 10 LEU HB3 H 1.37 0.02 1 87 . 10 LEU HG H 1.24 0.02 1 88 . 10 LEU CD1 C 26.35 0.25 1 89 . 10 LEU HD1 H 0.06 0.02 1 90 . 10 LEU CD2 C 23.30 0.25 1 91 . 10 LEU HD2 H 0.45 0.02 1 92 . 11 ASN N N 122.15 0.1 1 93 . 11 ASN H H 9.52 0.02 1 94 . 11 ASN CA C 55.67 0.25 1 95 . 11 ASN HA H 4.45 0.02 1 96 . 11 ASN CB C 38.88 0.25 1 97 . 11 ASN HB2 H 2.65 0.02 1 98 . 11 ASN HB3 H 2.70 0.02 1 99 . 11 ASN HD21 H 6.76 0.02 1 100 . 11 ASN HD22 H 7.02 0.02 1 101 . 12 SER N N 112.03 0.1 1 102 . 12 SER H H 8.13 0.02 1 103 . 12 SER CA C 57.94 0.25 1 104 . 12 SER HA H 2.70 0.02 1 105 . 12 SER CB C 65.74 0.25 1 106 . 12 SER HB2 H 3.14 0.02 1 107 . 12 SER HB3 H 3.14 0.02 1 108 . 13 ALA N N 122.92 0.1 1 109 . 13 ALA H H 6.69 0.02 1 110 . 13 ALA CA C 52.00 0.25 1 111 . 13 ALA HA H 5.12 0.02 1 112 . 13 ALA CB C 25.16 0.25 1 113 . 13 ALA HB H 1.24 0.02 1 114 . 14 SER N N 116.36 0.1 1 115 . 14 SER H H 9.29 0.02 1 116 . 14 SER CA C 56.80 0.25 1 117 . 14 SER HA H 4.79 0.02 1 118 . 14 SER CB C 66.18 0.25 1 119 . 14 SER HB2 H 3.77 0.02 1 120 . 14 SER HB3 H 3.99 0.02 1 121 . 15 LEU N N 127.39 0.1 1 122 . 15 LEU H H 8.61 0.02 1 123 . 15 LEU CA C 56.11 0.25 1 124 . 15 LEU HA H 3.63 0.02 1 125 . 15 LEU CB C 43.68 0.25 1 126 . 15 LEU HB2 H 1.36 0.02 1 127 . 15 LEU HB3 H 1.31 0.02 1 128 . 15 LEU CG C 26.88 0.25 1 129 . 15 LEU CD1 C 25.24 0.25 1 130 . 15 LEU HD1 H 0.43 0.02 1 131 . 15 LEU CD2 C 23.57 0.25 1 132 . 15 LEU HD2 H -0.02 0.02 1 133 . 16 LYS H H 8.18 0.02 1 134 . 17 GLN H H 7.45 0.02 1 135 . 17 GLN CG C 36.08 0.25 1 136 . 17 GLN HE21 H 6.55 0.02 1 137 . 18 PRO CA C 63.70 0.25 1 138 . 18 PRO HA H 4.87 0.02 1 139 . 18 PRO CD C 49.2 0.25 1 140 . 18 PRO HD2 H 3.20 0.02 1 141 . 18 PRO CB C 34.26 0.25 1 142 . 18 PRO HB2 H 2.16 0.02 1 143 . 18 PRO HB3 H 2.05 0.02 1 144 . 18 PRO CG C 24.27 0.25 1 145 . 19 TYR N N 126.79 0.1 1 146 . 19 TYR H H 7.07 0.02 1 147 . 19 TYR CA C 59.65 0.25 1 148 . 19 TYR HA H 4.48 0.02 1 149 . 19 TYR CB C 38.21 0.25 1 150 . 19 TYR HB2 H 3.06 0.02 1 151 . 19 TYR HB3 H 3.20 0.02 1 152 . 19 TYR HD1 H 7.43 0.02 1 153 . 19 TYR HD2 H 7.43 0.02 1 154 . 19 TYR HE1 H 7.05 0.02 1 155 . 19 TYR HE2 H 7.05 0.02 1 156 . 20 ILE N N 115.85 0.1 1 157 . 20 ILE H H 7.34 0.02 1 158 . 20 ILE CA C 63.34 0.25 1 159 . 20 ILE HA H 4.00 0.02 1 160 . 20 ILE CB C 38.52 0.25 1 161 . 20 ILE HB H 1.63 0.02 1 162 . 20 ILE CG2 C 17.85 0.25 1 163 . 20 ILE HG2 H 0.85 0.02 1 164 . 20 ILE CG1 C 29.78 0.25 1 165 . 20 ILE HG12 H 1.47 0.02 1 166 . 20 ILE HG13 H 1.23 0.02 1 167 . 20 ILE CD1 C 14.36 0.25 1 168 . 20 ILE HD1 H 0.93 0.02 1 169 . 21 THR N N 131.69 0.1 1 170 . 21 THR H H 7.43 0.02 1 171 . 21 THR CA C 61.30 0.25 1 172 . 21 THR HA H 4.58 0.02 1 173 . 21 THR CB C 69.34 0.25 1 174 . 21 THR HB H 4.56 0.02 1 175 . 21 THR CG2 C 22.76 0.25 1 176 . 21 THR HG2 H 1.19 0.02 1 177 . 22 GLN N N 124.80 0.1 1 178 . 22 GLN H H 7.39 0.02 1 179 . 22 GLN CA C 56.36 0.25 1 180 . 22 GLN HA H 4.25 0.02 1 181 . 22 GLN CB C 30.33 0.25 1 182 . 22 GLN HB2 H 2.25 0.02 1 183 . 22 GLN HB3 H 1.90 0.02 1 184 . 23 ASN N N 118.70 0.1 1 185 . 23 ASN H H 8.39 0.02 1 186 . 23 ASN CA C 53.49 0.25 1 187 . 23 ASN HA H 4.88 0.02 1 188 . 23 ASN CB C 40.70 0.25 1 189 . 23 ASN HB2 H 2.71 0.02 1 190 . 23 ASN HB3 H 2.79 0.02 1 191 . 24 TYR N N 121.69 0.1 1 192 . 24 TYR H H 7.03 0.02 1 193 . 24 TYR CA C 57.09 0.25 1 194 . 24 TYR HA H 4.83 0.02 1 195 . 24 TYR CB C 40.43 0.25 1 196 . 24 TYR HB2 H 2.80 0.02 1 197 . 24 TYR HB3 H 2.86 0.02 1 198 . 24 TYR HE1 H 6.70 0.02 1 199 . 24 TYR HE2 H 6.70 0.02 1 200 . 25 PHE N N 125.23 0.1 1 201 . 25 PHE H H 8.73 0.02 1 202 . 25 PHE HA H 4.66 0.02 1 203 . 25 PHE HB2 H 2.88 0.02 1 204 . 25 PHE HB3 H 3.48 0.02 1 205 . 25 PHE HD1 H 7.23 0.02 1 206 . 25 PHE HD2 H 7.23 0.02 1 207 . 25 PHE HE1 H 6.69 0.02 1 208 . 25 PHE HE2 H 6.69 0.02 1 209 . 26 PRO CA C 62.25 0.25 1 210 . 26 PRO HA H 4.40 0.02 1 211 . 26 PRO HD2 H 2.73 0.02 1 212 . 26 PRO HD3 H 2.73 0.02 1 213 . 26 PRO CB C 30.97 0.25 1 214 . 27 VAL H H 8.33 0.02 1 215 . 27 VAL CA C 66.06 0.25 1 216 . 27 VAL HA H 3.22 0.02 1 217 . 27 VAL CB C 32.08 0.25 1 218 . 27 VAL HB H 1.76 0.02 1 219 . 27 VAL CG1 C 23.07 0.25 1 220 . 27 VAL HG1 H 0.91 0.02 1 221 . 27 VAL CG2 C 21.36 0.25 1 222 . 27 VAL HG2 H 0.75 0.02 1 223 . 28 GLY N N 117.40 0.1 1 224 . 28 GLY H H 8.95 0.02 1 225 . 28 GLY HA2 H 4.40 0.02 1 226 . 28 GLY HA3 H 4.40 0.02 1 227 . 29 THR H H 8.25 0.02 1 228 . 29 THR CA C 65.85 0.25 1 229 . 29 THR HA H 4.08 0.02 1 230 . 29 THR CB C 69.93 0.25 1 231 . 29 THR HB H 4.02 0.02 1 232 . 29 THR CG2 C 23.06 0.25 1 233 . 29 THR HG2 H 1.57 0.02 1 234 . 30 VAL N N 128.02 0.1 1 235 . 30 VAL H H 8.20 0.02 1 236 . 30 VAL CA C 60.94 0.25 1 237 . 30 VAL HA H 5.24 0.02 1 238 . 30 VAL CB C 34.35 0.25 1 239 . 30 VAL HB H 1.91 0.02 1 240 . 30 VAL CG1 C 22.27 0.25 1 241 . 30 VAL HG1 H 0.85 0.02 1 242 . 30 VAL CG2 C 21.40 0.25 1 243 . 30 VAL HG2 H 1.04 0.02 1 244 . 31 VAL N N 118.83 0.1 1 245 . 31 VAL H H 8.66 0.02 1 246 . 31 VAL CA C 58.71 0.25 1 247 . 31 VAL HA H 3.44 0.02 1 248 . 31 VAL CB C 34.23 0.25 1 249 . 31 VAL HB H 1.06 0.02 1 250 . 31 VAL CG1 C 22.40 0.25 1 251 . 31 VAL HG1 H 0.64 0.02 1 252 . 31 VAL CG2 C 18.67 0.25 1 253 . 31 VAL HG2 H 0.13 0.02 1 254 . 32 GLU N N 119.69 0.1 1 255 . 32 GLU H H 5.58 0.02 1 256 . 32 GLU CA C 55.35 0.25 1 257 . 32 GLU HA H 5.00 0.02 1 258 . 32 GLU CB C 34.5 0.25 1 259 . 33 TYR H H 8.19 0.02 1 260 . 33 TYR CA C 57.45 0.25 1 261 . 33 TYR HA H 5.03 0.02 1 262 . 33 TYR CB C 43.25 0.25 1 263 . 33 TYR HB2 H 2.68 0.02 1 264 . 33 TYR HB3 H 2.78 0.02 1 265 . 33 TYR HD1 H 6.73 0.02 1 266 . 33 TYR HD2 H 6.73 0.02 1 267 . 33 TYR CE1 C 117.99 0.1 1 268 . 33 TYR HE1 H 6.54 0.02 1 269 . 33 TYR CE2 C 117.99 0.1 1 270 . 33 TYR HE2 H 6.54 0.02 1 271 . 34 GLU N N 117.80 0.1 1 272 . 34 GLU H H 9.34 0.02 1 273 . 34 GLU CA C 53.63 0.25 1 274 . 34 GLU HA H 4.84 0.02 1 275 . 34 GLU CB C 33.44 0.25 1 276 . 34 GLU HB2 H 1.93 0.02 1 277 . 34 GLU HB3 H 2.10 0.02 1 278 . 34 GLU CG C 35.01 0.25 1 279 . 34 GLU HG2 H 2.20 0.02 1 280 . 35 CYS N N 121.00 0.1 1 281 . 35 CYS H H 8.90 0.02 1 282 . 35 CYS CA C 53.81 0.25 1 283 . 35 CYS HA H 5.00 0.02 1 284 . 35 CYS CB C 36.73 0.25 1 285 . 35 CYS HB2 H 2.69 0.02 1 286 . 35 CYS HB3 H 3.11 0.02 1 287 . 36 ARG N N 125.12 0.1 1 288 . 36 ARG H H 7.89 0.02 1 289 . 36 ARG HA H 4.46 0.02 1 290 . 36 ARG HB2 H 1.94 0.02 1 291 . 37 PRO CA C 64.44 0.25 1 292 . 37 PRO HA H 4.30 0.02 1 293 . 37 PRO CD C 50.5 0.25 1 294 . 37 PRO CB C 32.1 0.25 1 295 . 37 PRO CG C 28.17 0.25 1 296 . 38 GLY N N 112.00 0.1 1 297 . 38 GLY H H 8.27 0.02 1 298 . 38 GLY CA C 44.20 0.25 1 299 . 38 GLY HA2 H 2.26 0.02 1 300 . 38 GLY HA3 H 2.98 0.02 1 301 . 39 TYR N N 118.14 0.1 1 302 . 39 TYR H H 8.00 0.02 1 303 . 39 TYR CA C 56.86 0.25 1 304 . 39 TYR HA H 5.06 0.02 1 305 . 39 TYR CB C 41.37 0.25 1 306 . 39 TYR HB2 H 2.58 0.02 1 307 . 39 TYR HB3 H 3.35 0.02 1 308 . 39 TYR HD1 H 6.63 0.02 1 309 . 39 TYR HD2 H 6.63 0.02 1 310 . 39 TYR HE1 H 6.75 0.02 1 311 . 39 TYR HE2 H 6.75 0.02 1 312 . 40 ARG N N 118.95 0.1 1 313 . 40 ARG H H 9.84 0.02 1 314 . 40 ARG CA C 53.53 0.25 1 315 . 40 ARG HA H 4.93 0.02 1 316 . 40 ARG CB C 33.95 0.25 1 317 . 40 ARG HB2 H 1.66 0.02 1 318 . 40 ARG HB3 H 1.86 0.02 1 319 . 40 ARG CG C 28.91 0.25 1 320 . 40 ARG HG2 H 1.57 0.02 1 321 . 40 ARG CD C 43.87 0.25 1 322 . 40 ARG HD2 H 3.13 0.02 1 323 . 40 ARG HD3 H 3.15 0.02 1 324 . 41 ARG N N 125.77 0.1 1 325 . 41 ARG H H 8.83 0.02 1 326 . 41 ARG CA C 56.41 0.25 1 327 . 41 ARG HA H 4.61 0.02 1 328 . 41 ARG CB C 30.84 0.25 1 329 . 41 ARG HB2 H 1.69 0.02 1 330 . 41 ARG HB3 H 1.94 0.02 1 331 . 41 ARG CG C 27.90 0.25 1 332 . 41 ARG HG2 H 1.61 0.02 1 333 . 41 ARG HG3 H 1.91 0.02 1 334 . 41 ARG CD C 42.80 0.25 1 335 . 41 ARG HD2 H 3.31 0.02 1 336 . 41 ARG HH11 H 7.04 0.02 1 337 . 41 ARG HH12 H 7.04 0.02 1 338 . 41 ARG HH21 H 6.83 0.02 1 339 . 41 ARG HH22 H 6.83 0.02 1 340 . 42 GLU N N 128.12 0.1 1 341 . 42 GLU H H 8.44 0.02 1 342 . 42 GLU CA C 52.6 0.25 1 343 . 42 GLU HA H 4.99 0.02 1 344 . 42 GLU CB C 30.5 0.25 1 345 . 42 GLU HB2 H 1.91 0.02 1 346 . 42 GLU CG C 36.3 0.25 1 347 . 43 PRO CA C 65.42 0.25 1 348 . 43 PRO HA H 4.26 0.02 1 349 . 43 PRO CD C 51.90 0.25 1 350 . 43 PRO HD2 H 3.06 0.02 1 351 . 43 PRO CB C 32.65 0.25 1 352 . 43 PRO HB2 H 2.06 0.02 1 353 . 43 PRO HB3 H 2.39 0.02 1 354 . 43 PRO CG C 27.84 0.25 1 355 . 44 SER N N 112.49 0.1 1 356 . 44 SER H H 8.23 0.02 1 357 . 44 SER CA C 59.91 0.25 1 358 . 44 SER HA H 4.34 0.02 1 359 . 44 SER CB C 63.60 0.25 1 360 . 44 SER HB2 H 4.06 0.02 1 361 . 44 SER HB3 H 3.92 0.02 1 362 . 45 LEU N N 123.87 0.1 1 363 . 45 LEU H H 7.70 0.02 1 364 . 45 LEU CA C 53.66 0.25 1 365 . 45 LEU HA H 4.78 0.02 1 366 . 45 LEU CB C 44.80 0.25 1 367 . 45 LEU HB2 H 1.73 0.02 1 368 . 45 LEU HB3 H 1.42 0.02 1 369 . 45 LEU CG C 26.9 0.25 1 370 . 45 LEU HG H 1.59 0.02 1 371 . 45 LEU CD1 C 26.50 0.25 1 372 . 45 LEU HD1 H 0.88 0.02 1 373 . 45 LEU CD2 C 23.63 0.25 1 374 . 45 LEU HD2 H 0.88 0.02 1 375 . 46 SER N N 118.70 0.1 1 376 . 46 SER H H 8.39 0.02 1 377 . 46 SER CA C 56.42 0.25 1 378 . 46 SER HA H 4.72 0.02 1 379 . 46 SER CB C 64.5 0.25 1 380 . 46 SER HB2 H 3.86 0.02 1 381 . 46 SER HB3 H 3.78 0.02 1 382 . 47 PRO CA C 61.58 0.25 1 383 . 47 PRO HA H 2.70 0.02 1 384 . 47 PRO CD C 51.4 0.25 1 385 . 47 PRO HD2 H 3.55 0.02 1 386 . 47 PRO HD3 H 3.68 0.02 1 387 . 47 PRO CB C 30.01 0.25 1 388 . 47 PRO HB2 H 2.21 0.02 1 389 . 47 PRO HB3 H 0.91 0.02 1 390 . 47 PRO CG C 27.8 0.25 1 391 . 47 PRO HG2 H 1.86 0.02 1 392 . 47 PRO HG3 H 1.75 0.02 1 393 . 48 LYS N N 120.19 0.1 1 394 . 48 LYS H H 7.25 0.02 1 395 . 48 LYS CA C 55.2 0.25 1 396 . 48 LYS HA H 5.32 0.02 1 397 . 48 LYS CB C 36.7 0.25 1 398 . 49 LEU N N 122.04 0.1 1 399 . 49 LEU H H 8.15 0.02 1 400 . 49 LEU CA C 54.27 0.25 1 401 . 49 LEU HA H 4.63 0.02 1 402 . 49 LEU CB C 47.44 0.25 1 403 . 49 LEU HB2 H 1.83 0.02 1 404 . 49 LEU HB3 H 1.63 0.02 1 405 . 49 LEU CG C 28.11 0.25 1 406 . 49 LEU HG H 1.39 0.02 1 407 . 49 LEU CD1 C 25.90 0.25 1 408 . 49 LEU HD1 H 0.78 0.02 1 409 . 49 LEU CD2 C 23.87 0.25 1 410 . 49 LEU HD2 H 0.86 0.02 1 411 . 50 THR N N 117.86 0.1 1 412 . 50 THR H H 8.64 0.02 1 413 . 50 THR CA C 61.78 0.25 1 414 . 50 THR HA H 5.50 0.02 1 415 . 50 THR CB C 72.10 0.25 1 416 . 50 THR HB H 3.77 0.02 1 417 . 50 THR CG2 C 21.29 0.25 1 418 . 50 THR HG2 H 1.04 0.02 1 419 . 51 CYS N N 128.49 0.1 1 420 . 51 CYS H H 8.58 0.02 1 421 . 51 CYS CA C 55.60 0.25 1 422 . 51 CYS HA H 3.75 0.02 1 423 . 51 CYS CB C 38.35 0.25 1 424 . 51 CYS HB2 H 2.37 0.02 1 425 . 51 CYS HB3 H 1.45 0.02 1 426 . 52 LEU N N 112.98 0.1 1 427 . 52 LEU H H 8.47 0.02 1 428 . 52 LEU CA C 54.90 0.25 1 429 . 52 LEU HA H 4.37 0.02 1 430 . 52 LEU CB C 42.58 0.25 1 431 . 52 LEU HB2 H 2.39 0.02 1 432 . 52 LEU HB3 H 1.41 0.02 1 433 . 52 LEU CG C 26.27 0.25 1 434 . 52 LEU CD1 C 25.88 0.25 1 435 . 52 LEU HD1 H 0.80 0.02 1 436 . 52 LEU CD2 C 22.45 0.25 1 437 . 52 LEU HD2 H 0.79 0.02 1 438 . 53 GLN N N 117.41 0.1 1 439 . 53 GLN H H 8.28 0.02 1 440 . 53 GLN CA C 58.77 0.25 1 441 . 53 GLN HA H 3.95 0.02 1 442 . 53 GLN CB C 28.54 0.25 1 443 . 53 GLN HB2 H 2.08 0.02 1 444 . 53 GLN HB3 H 2.42 0.02 1 445 . 54 ASN N N 115.89 0.1 1 446 . 54 ASN H H 7.65 0.02 1 447 . 54 ASN CA C 52.49 0.25 1 448 . 54 ASN HA H 4.51 0.02 1 449 . 54 ASN CB C 36.58 0.25 1 450 . 54 ASN HB2 H 3.12 0.02 1 451 . 54 ASN HB3 H 2.65 0.02 1 452 . 54 ASN HD21 H 6.59 0.02 1 453 . 54 ASN HD22 H 7.19 0.02 1 454 . 55 LEU N N 115.24 0.1 1 455 . 55 LEU H H 8.43 0.02 1 456 . 55 LEU CA C 56.47 0.25 1 457 . 55 LEU HA H 3.76 0.02 1 458 . 55 LEU CB C 36.91 0.25 1 459 . 55 LEU HB2 H 2.02 0.02 1 460 . 55 LEU HB3 H 1.47 0.02 1 461 . 55 LEU CG C 27.31 0.25 1 462 . 55 LEU HG H 1.31 0.02 1 463 . 55 LEU CD1 C 25.79 0.25 1 464 . 55 LEU HD1 H 0.83 0.02 1 465 . 55 LEU CD2 C 23.16 0.25 1 466 . 55 LEU HD2 H 0.52 0.02 1 467 . 56 LYS N N 119.31 0.1 1 468 . 56 LYS H H 7.04 0.02 1 469 . 56 LYS CA C 53.72 0.25 1 470 . 56 LYS HA H 4.43 0.02 1 471 . 56 LYS CB C 34.81 0.25 1 472 . 56 LYS HB2 H 1.66 0.02 1 473 . 56 LYS HB3 H 1.64 0.02 1 474 . 56 LYS CG C 25.55 0.25 1 475 . 56 LYS HG2 H 1.25 0.02 1 476 . 56 LYS HG3 H 1.25 0.02 1 477 . 56 LYS HD2 H 1.68 0.02 1 478 . 56 LYS HD3 H 1.68 0.02 1 479 . 56 LYS CE C 42.95 0.25 1 480 . 56 LYS HE2 H 2.98 0.02 1 481 . 57 TRP N N 121.63 0.1 1 482 . 57 TRP H H 7.96 0.02 1 483 . 57 TRP CA C 57.41 0.25 1 484 . 57 TRP HA H 4.93 0.02 1 485 . 57 TRP CB C 31.30 0.25 1 486 . 57 TRP HB2 H 2.96 0.02 1 487 . 57 TRP HB3 H 3.43 0.02 1 488 . 57 TRP CD1 C 125.99 0.1 1 489 . 57 TRP HD1 H 7.21 0.02 1 490 . 57 TRP HE1 H 9.99 0.02 1 491 . 57 TRP HE3 H 8.62 0.02 1 492 . 57 TRP CZ2 C 113.55 0.1 1 493 . 57 TRP HZ2 H 6.69 0.02 1 494 . 57 TRP HZ3 H 7.16 0.02 1 495 . 57 TRP HH2 H 7.24 0.02 1 496 . 58 SER N N 118.78 0.1 1 497 . 58 SER H H 9.04 0.02 1 498 . 58 SER CA C 59.17 0.25 1 499 . 58 SER HA H 4.50 0.02 1 500 . 58 SER CB C 63.97 0.25 1 501 . 58 SER HB2 H 4.37 0.02 1 502 . 58 SER HB3 H 4.10 0.02 1 503 . 59 THR N N 115.92 0.1 1 504 . 59 THR H H 8.05 0.02 1 505 . 59 THR CA C 64.47 0.25 1 506 . 59 THR HA H 4.05 0.02 1 507 . 59 THR CB C 69.93 0.25 1 508 . 59 THR HB H 4.01 0.02 1 509 . 59 THR CG2 C 22.48 0.25 1 510 . 59 THR HG2 H 1.25 0.02 1 511 . 60 ALA N N 131.91 0.1 1 512 . 60 ALA H H 8.51 0.02 1 513 . 60 ALA CA C 52.14 0.25 1 514 . 60 ALA HA H 4.44 0.02 1 515 . 60 ALA CB C 19.91 0.25 1 516 . 60 ALA HB H 1.29 0.02 1 517 . 61 VAL N N 117.64 0.1 1 518 . 61 VAL H H 7.19 0.02 1 519 . 61 VAL CA C 59.82 0.25 1 520 . 61 VAL HA H 4.35 0.02 1 521 . 61 VAL CB C 33.75 0.25 1 522 . 61 VAL HB H 2.18 0.02 1 523 . 61 VAL CG1 C 21.96 0.25 1 524 . 61 VAL HG1 H 0.93 0.02 1 525 . 61 VAL CG2 C 20.02 0.25 1 526 . 61 VAL HG2 H 0.92 0.02 1 527 . 62 GLU N N 121.93 0.1 1 528 . 62 GLU H H 8.19 0.02 1 529 . 62 GLU CA C 56.13 0.25 1 530 . 62 GLU HA H 4.11 0.02 1 531 . 62 GLU CB C 27.90 0.25 1 532 . 62 GLU HB2 H 1.75 0.02 1 533 . 62 GLU HB3 H 2.00 0.02 1 534 . 62 GLU CG C 35.90 0.25 1 535 . 62 GLU HG2 H 2.13 0.02 1 536 . 62 GLU HG3 H 2.32 0.02 1 537 . 63 PHE N N 120.19 0.1 1 538 . 63 PHE H H 6.82 0.02 1 539 . 63 PHE CA C 58.31 0.25 1 540 . 63 PHE HA H 4.42 0.02 1 541 . 63 PHE CB C 39.33 0.25 1 542 . 63 PHE HB2 H 2.75 0.02 1 543 . 63 PHE HB3 H 2.81 0.02 1 544 . 63 PHE CD1 C 130.88 0.1 1 545 . 63 PHE HD1 H 6.75 0.02 1 546 . 63 PHE CD2 C 130.88 0.1 1 547 . 63 PHE HD2 H 6.75 0.02 1 548 . 63 PHE HE1 H 7.04 0.02 1 549 . 63 PHE HZ H 6.44 0.02 1 550 . 64 CYS N N 120.95 0.1 1 551 . 64 CYS H H 7.66 0.02 1 552 . 64 CYS CA C 55.48 0.25 1 553 . 64 CYS HA H 5.48 0.02 1 554 . 64 CYS CB C 46.01 0.25 1 555 . 64 CYS HB2 H 2.76 0.02 1 556 . 64 CYS HB3 H 2.85 0.02 1 557 . 65 LYS N N 122.67 0.1 1 558 . 65 LYS H H 9.34 0.02 1 559 . 65 LYS CA C 54.32 0.25 1 560 . 65 LYS HA H 4.84 0.02 1 561 . 65 LYS CB C 36.45 0.25 1 562 . 65 LYS HB2 H 1.60 0.02 1 563 . 65 LYS HB3 H 1.98 0.02 1 564 . 65 LYS CG C 25.19 0.25 1 565 . 65 LYS HG2 H 1.44 0.02 1 566 . 65 LYS HG3 H 1.44 0.02 1 567 . 65 LYS CD C 29.67 0.25 1 568 . 65 LYS HD2 H 1.72 0.02 1 569 . 65 LYS CE C 42.60 0.25 1 570 . 65 LYS HE2 H 3.02 0.02 1 571 . 65 LYS HE3 H 3.02 0.02 1 572 . 65 LYS HZ H 7.5 0.02 1 573 . 66 LYS N N 124.34 0.1 1 574 . 66 LYS H H 8.92 0.02 1 575 . 66 LYS CA C 59.13 0.25 1 576 . 66 LYS HA H 3.55 0.02 1 577 . 66 LYS CB C 35.77 0.25 1 578 . 66 LYS HB2 H 1.70 0.02 1 579 . 66 LYS HB3 H 1.23 0.02 1 580 . 66 LYS HD2 H 0.80 0.02 1 581 . 66 LYS HE2 H 2.85 0.02 1 582 . 66 LYS HE3 H 2.85 0.02 1 583 . 67 LYS N N 122.25 0.1 1 584 . 67 LYS H H 8.41 0.02 1 585 . 67 LYS CA C 57.25 0.25 1 586 . 67 LYS HA H 4.03 0.02 1 587 . 67 LYS CB C 30.04 0.25 1 588 . 67 LYS HB2 H 1.19 0.02 1 589 . 67 LYS HB3 H 1.48 0.02 1 590 . 67 LYS HG2 H 1.23 0.02 1 591 . 67 LYS HD2 H 2.79 0.02 1 592 . 67 LYS CE C 40.6 0.25 1 593 . 67 LYS HE2 H 3.07 0.02 1 594 . 67 LYS HE3 H 2.33 0.02 1 595 . 68 SER N N 122.56 0.1 1 596 . 68 SER H H 9.99 0.02 1 597 . 68 SER CA C 61.37 0.25 1 598 . 68 SER HA H 4.67 0.02 1 599 . 68 SER CB C 63.87 0.25 1 600 . 68 SER HB2 H 3.69 0.02 1 601 . 68 SER HB3 H 3.51 0.02 1 602 . 69 CYS N N 122.76 0.1 1 603 . 69 CYS H H 8.07 0.02 1 604 . 69 CYS CA C 51.70 0.25 1 605 . 69 CYS HA H 4.26 0.02 1 606 . 69 CYS CB C 43.4 0.25 1 607 . 69 CYS HB2 H 2.48 0.02 1 608 . 69 CYS HB3 H 1.79 0.02 1 609 . 70 PRO CD C 50.5 0.25 1 610 . 70 PRO HD2 H 3.00 0.02 1 611 . 70 PRO HD3 H 2.78 0.02 1 612 . 71 ASN HA H 4.02 0.02 1 613 . 72 PRO CA C 64.30 0.25 1 614 . 72 PRO HA H 4.14 0.02 1 615 . 72 PRO CD C 51.22 0.25 1 616 . 72 PRO HD2 H 3.56 0.02 1 617 . 72 PRO HD3 H 3.65 0.02 1 618 . 72 PRO CB C 32.20 0.25 1 619 . 72 PRO HB2 H 1.81 0.02 1 620 . 72 PRO HB3 H 1.91 0.02 1 621 . 72 PRO CG C 25.8 0.25 1 622 . 72 PRO HG2 H 2.06 0.02 1 623 . 73 GLY N N 127.17 0.1 1 624 . 73 GLY H H 7.66 0.02 1 625 . 73 GLY CA C 44.77 0.25 1 626 . 73 GLY HA2 H 4.15 0.02 1 627 . 73 GLY HA3 H 3.59 0.02 1 628 . 74 GLU N N 120.50 0.1 1 629 . 74 GLU H H 7.77 0.02 1 630 . 74 GLU CA C 55.23 0.25 1 631 . 74 GLU HA H 4.44 0.02 1 632 . 74 GLU CB C 33.18 0.25 1 633 . 74 GLU HB2 H 1.81 0.02 1 634 . 74 GLU HB3 H 1.91 0.02 1 635 . 74 GLU HG2 H 2.44 0.02 1 636 . 74 GLU HG3 H 2.44 0.02 1 637 . 75 ILE N N 123.03 0.1 1 638 . 75 ILE H H 8.64 0.02 1 639 . 75 ILE CA C 59.98 0.25 1 640 . 75 ILE HA H 4.06 0.02 1 641 . 75 ILE CB C 41.18 0.25 1 642 . 75 ILE HB H 1.69 0.02 1 643 . 75 ILE CG2 C 18.08 0.25 1 644 . 75 ILE HG2 H 0.62 0.02 1 645 . 75 ILE CG1 C 27.66 0.25 1 646 . 75 ILE HG12 H 1.25 0.02 1 647 . 75 ILE HG13 H 1.27 0.02 1 648 . 75 ILE CD1 C 14.43 0.25 1 649 . 75 ILE HD1 H 0.48 0.02 1 650 . 76 ARG N N 130.95 0.1 1 651 . 76 ARG H H 8.50 0.02 1 652 . 76 ARG CA C 57.90 0.25 1 653 . 76 ARG HA H 4.00 0.02 1 654 . 76 ARG CB C 29.47 0.25 1 655 . 76 ARG HB2 H 1.70 0.02 1 656 . 76 ARG CG C 26.40 0.25 1 657 . 76 ARG HG2 H 1.76 0.02 1 658 . 76 ARG HG3 H 1.76 0.02 1 659 . 76 ARG HD2 H 3.21 0.02 1 660 . 76 ARG HD3 H 3.17 0.02 1 661 . 77 ASN N N 119.41 0.1 1 662 . 77 ASN H H 9.01 0.02 1 663 . 77 ASN CA C 56.10 0.25 1 664 . 77 ASN HA H 3.83 0.02 1 665 . 77 ASN CB C 36.36 0.25 1 666 . 77 ASN HB2 H 2.30 0.02 1 667 . 77 ASN HB3 H 1.31 0.02 1 668 . 77 ASN HD21 H 6.74 0.02 1 669 . 77 ASN HD22 H 6.75 0.02 1 670 . 78 GLY N N 126.61 0.1 1 671 . 78 GLY H H 7.53 0.02 1 672 . 78 GLY CA C 46.61 0.25 1 673 . 78 GLY HA2 H 4.41 0.02 1 674 . 78 GLY HA3 H 4.06 0.02 1 675 . 79 GLN N N 119.33 0.1 1 676 . 79 GLN H H 8.71 0.02 1 677 . 79 GLN CA C 55.18 0.25 1 678 . 79 GLN HA H 4.74 0.02 1 679 . 79 GLN CB C 33.88 0.25 1 680 . 79 GLN HB2 H 2.19 0.02 1 681 . 79 GLN HB3 H 1.95 0.02 1 682 . 79 GLN HG2 H 1.77 0.02 1 683 . 80 ILE N N 123.05 0.1 1 684 . 80 ILE H H 8.30 0.02 1 685 . 80 ILE CA C 60.81 0.25 1 686 . 80 ILE HA H 4.67 0.02 1 687 . 80 ILE CB C 40.02 0.25 1 688 . 80 ILE HB H 1.68 0.02 1 689 . 80 ILE CG2 C 18.23 0.25 1 690 . 80 ILE HG2 H 0.64 0.02 1 691 . 80 ILE CG1 C 27.62 0.25 1 692 . 80 ILE HG12 H 1.54 0.02 1 693 . 80 ILE HG13 H 1.88 0.02 1 694 . 80 ILE CD1 C 15.30 0.25 1 695 . 80 ILE HD1 H 0.66 0.02 1 696 . 81 ASP N N 131.21 0.1 1 697 . 81 ASP H H 9.31 0.02 1 698 . 81 ASP CA C 53.91 0.25 1 699 . 81 ASP HA H 4.84 0.02 1 700 . 81 ASP CB C 42.67 0.25 1 701 . 81 ASP HB2 H 2.45 0.02 1 702 . 81 ASP HB3 H 2.59 0.02 1 703 . 82 VAL N N 110.04 0.1 1 704 . 82 VAL H H 8.31 0.02 1 705 . 82 VAL CA C 59.12 0.25 1 706 . 82 VAL HA H 4.69 0.02 1 707 . 82 VAL CB C 32.06 0.25 1 708 . 82 VAL HB H 2.16 0.02 1 709 . 82 VAL CG1 C 23.04 0.25 1 710 . 82 VAL HG1 H 0.85 0.02 1 711 . 82 VAL CG2 C 20.83 0.25 1 712 . 82 VAL HG2 H 0.81 0.02 1 713 . 83 PRO CA C 64.84 0.25 1 714 . 83 PRO HA H 4.50 0.02 1 715 . 83 PRO CD C 50.90 0.25 1 716 . 83 PRO HD2 H 3.38 0.02 1 717 . 83 PRO HD3 H 3.95 0.02 1 718 . 83 PRO CB C 32.36 0.25 1 719 . 83 PRO HB2 H 2.00 0.02 1 720 . 83 PRO HB3 H 2.28 0.02 1 721 . 83 PRO CG C 27.30 0.25 1 722 . 83 PRO HG2 H 1.94 0.02 1 723 . 84 GLY N N 110.6 0.1 1 724 . 84 GLY H H 9.07 0.02 1 725 . 84 GLY CA C 46.09 0.25 1 726 . 84 GLY HA2 H 4.66 0.02 1 727 . 84 GLY HA3 H 3.58 0.02 1 728 . 85 GLY N N 109.93 0.1 1 729 . 85 GLY H H 7.73 0.02 1 730 . 85 GLY CA C 44.92 0.25 1 731 . 85 GLY HA2 H 4.19 0.02 1 732 . 85 GLY HA3 H 3.82 0.02 1 733 . 86 ILE N N 131.17 0.1 1 734 . 86 ILE H H 8.07 0.02 1 735 . 86 ILE CA C 60.89 0.25 1 736 . 86 ILE HA H 4.80 0.02 1 737 . 86 ILE CB C 39.26 0.25 1 738 . 86 ILE HB H 2.50 0.02 1 739 . 86 ILE CG2 C 18.65 0.25 1 740 . 86 ILE HG2 H 0.97 0.02 1 741 . 86 ILE CG1 C 25.92 0.25 1 742 . 86 ILE HG12 H 1.32 0.02 1 743 . 86 ILE CD1 C 14.30 0.25 1 744 . 86 ILE HD1 H 0.91 0.02 1 745 . 87 LEU H H 7.68 0.02 1 746 . 87 LEU CA C 54.23 0.25 1 747 . 87 LEU HA H 4.60 0.02 1 748 . 87 LEU CB C 43.60 0.25 1 749 . 87 LEU HB2 H 1.75 0.02 1 750 . 87 LEU HB3 H 1.36 0.02 1 751 . 87 LEU CD1 C 26.68 0.25 1 752 . 87 LEU HD1 H 0.92 0.02 1 753 . 87 LEU CD2 C 22.56 0.25 1 754 . 87 LEU HD2 H 0.73 0.02 1 755 . 88 PHE N N 118.31 0.1 1 756 . 88 PHE H H 8.06 0.02 1 757 . 88 PHE CA C 59.06 0.25 1 758 . 88 PHE HA H 4.62 0.02 1 759 . 88 PHE CB C 40.40 0.25 1 760 . 88 PHE HB2 H 2.36 0.02 1 761 . 88 PHE HB3 H 3.08 0.02 1 762 . 88 PHE HD1 H 6.74 0.02 1 763 . 88 PHE HD2 H 6.74 0.02 1 764 . 89 GLY N N 119.44 0.1 1 765 . 89 GLY H H 8.77 0.02 1 766 . 89 GLY CA C 44.52 0.25 1 767 . 89 GLY HA2 H 3.92 0.02 1 768 . 89 GLY HA3 H 3.18 0.02 1 769 . 90 ALA N N 125.56 0.1 1 770 . 90 ALA H H 8.40 0.02 1 771 . 90 ALA CA C 53.05 0.25 1 772 . 90 ALA HA H 4.36 0.02 1 773 . 90 ALA CB C 21.79 0.25 1 774 . 90 ALA HB H 1.46 0.02 1 775 . 91 THR N N 115.25 0.1 1 776 . 91 THR H H 8.07 0.02 1 777 . 91 THR CA C 61.65 0.25 1 778 . 91 THR HA H 5.38 0.02 1 779 . 91 THR CB C 71.40 0.25 1 780 . 91 THR HB H 3.85 0.02 1 781 . 91 THR CG2 C 21.15 0.25 1 782 . 91 THR HG2 H 1.04 0.02 1 783 . 92 ILE N N 123.31 0.1 1 784 . 92 ILE H H 8.85 0.02 1 785 . 92 ILE CA C 59.95 0.25 1 786 . 92 ILE HA H 4.91 0.02 1 787 . 92 ILE CB C 40.56 0.25 1 788 . 92 ILE HB H 1.52 0.02 1 789 . 92 ILE CG2 C 20.16 0.25 1 790 . 92 ILE HG2 H 0.83 0.02 1 791 . 92 ILE CG1 C 23.99 0.25 1 792 . 92 ILE HG12 H 0.45 0.02 1 793 . 92 ILE HG13 H 0.52 0.02 1 794 . 92 ILE CD1 C 12.45 0.25 1 795 . 92 ILE HD1 H -0.39 0.02 1 796 . 93 SER N N 115.13 0.1 1 797 . 93 SER H H 8.02 0.02 1 798 . 93 SER CA C 57.16 0.25 1 799 . 93 SER HA H 4.58 0.02 1 800 . 93 SER CB C 66.17 0.25 1 801 . 93 SER HB2 H 3.71 0.02 1 802 . 93 SER HB3 H 3.69 0.02 1 803 . 94 PHE N N 122.90 0.1 1 804 . 94 PHE H H 7.81 0.02 1 805 . 94 PHE CA C 54.69 0.25 1 806 . 94 PHE HA H 5.59 0.02 1 807 . 94 PHE CB C 43.64 0.25 1 808 . 94 PHE HB2 H 2.63 0.02 1 809 . 94 PHE HB3 H 2.86 0.02 1 810 . 94 PHE CD1 C 132.2 0.1 1 811 . 94 PHE HD1 H 6.99 0.02 1 812 . 94 PHE CD2 C 132.2 0.1 1 813 . 94 PHE HD2 H 6.99 0.02 1 814 . 94 PHE CE1 C 129.5 0.1 1 815 . 94 PHE HE1 H 6.61 0.02 1 816 . 94 PHE CE2 C 129.5 0.1 1 817 . 94 PHE HE2 H 6.61 0.02 1 818 . 94 PHE CZ C 129.5 0.1 1 819 . 94 PHE HZ H 6.78 0.02 1 820 . 95 SER N N 114.70 0.1 1 821 . 95 SER H H 8.44 0.02 1 822 . 95 SER CA C 57.84 0.25 1 823 . 95 SER HA H 4.58 0.02 1 824 . 95 SER CB C 66.02 0.25 1 825 . 95 SER HB2 H 3.87 0.02 1 826 . 96 CYS N N 117.37 0.1 1 827 . 96 CYS H H 8.67 0.02 1 828 . 96 CYS CA C 53.40 0.25 1 829 . 96 CYS HA H 5.36 0.02 1 830 . 96 CYS CB C 41.61 0.25 1 831 . 96 CYS HB2 H 2.49 0.02 1 832 . 96 CYS HB3 H 3.03 0.02 1 833 . 97 ASN N N 123.43 0.1 1 834 . 97 ASN H H 8.70 0.02 1 835 . 97 ASN CA C 52.77 0.25 1 836 . 97 ASN HA H 4.65 0.02 1 837 . 97 ASN CB C 38.64 0.25 1 838 . 97 ASN HB2 H 2.47 0.02 1 839 . 97 ASN HB3 H 3.03 0.02 1 840 . 97 ASN HD21 H 6.70 0.02 1 841 . 97 ASN HD22 H 7.58 0.02 1 842 . 98 THR N N 116.77 0.1 1 843 . 98 THR H H 8.34 0.02 1 844 . 98 THR CA C 65.24 0.25 1 845 . 98 THR HA H 4.12 0.02 1 846 . 98 THR CB C 69.36 0.25 1 847 . 98 THR HB H 4.02 0.02 1 848 . 98 THR CG2 C 21.90 0.25 1 849 . 98 THR HG2 H 1.28 0.02 1 850 . 99 GLY N N 115.97 0.1 1 851 . 99 GLY H H 8.93 0.02 1 852 . 99 GLY CA C 45.05 0.25 1 853 . 99 GLY HA2 H 4.23 0.02 1 854 . 99 GLY HA3 H 3.51 0.02 1 855 . 100 TYR N N 120.31 0.1 1 856 . 100 TYR H H 8.22 0.02 1 857 . 100 TYR CA C 57.43 0.25 1 858 . 100 TYR HA H 4.82 0.02 1 859 . 100 TYR CB C 41.49 0.25 1 860 . 100 TYR HB2 H 2.46 0.02 1 861 . 100 TYR HB3 H 3.28 0.02 1 862 . 100 TYR HD1 H 6.68 0.02 1 863 . 100 TYR HD2 H 6.68 0.02 1 864 . 100 TYR HE1 H 6.72 0.02 1 865 . 100 TYR HE2 H 6.72 0.02 1 866 . 101 LYS N N 124.60 0.1 1 867 . 101 LYS H H 9.35 0.02 1 868 . 101 LYS CA C 54.82 0.25 1 869 . 101 LYS HA H 4.57 0.02 1 870 . 101 LYS CB C 36.64 0.25 1 871 . 101 LYS HB2 H 1.71 0.02 1 872 . 101 LYS HG2 H 1.18 0.02 1 873 . 101 LYS HG3 H 1.38 0.02 1 874 . 101 LYS HD2 H 2.67 0.02 1 875 . 101 LYS HD3 H 2.67 0.02 1 876 . 102 LEU N N 130.36 0.1 1 877 . 102 LEU H H 8.16 0.02 1 878 . 102 LEU CA C 57.66 0.25 1 879 . 102 LEU HA H 4.66 0.02 1 880 . 102 LEU CB C 44.06 0.25 1 881 . 102 LEU HB2 H 1.52 0.02 1 882 . 102 LEU HB3 H 1.22 0.02 1 883 . 102 LEU CG C 28.80 0.25 1 884 . 102 LEU CD1 C 26.33 0.25 1 885 . 102 LEU HD1 H 0.75 0.02 1 886 . 102 LEU CD2 C 26.22 0.25 1 887 . 102 LEU HD2 H 0.56 0.02 1 888 . 103 PHE N N 129.83 0.1 1 889 . 103 PHE H H 9.49 0.02 1 890 . 103 PHE CA C 58.41 0.25 1 891 . 103 PHE HA H 4.67 0.02 1 892 . 103 PHE CB C 40.94 0.25 1 893 . 103 PHE HB2 H 2.91 0.02 1 894 . 103 PHE HB3 H 2.95 0.02 1 895 . 103 PHE HD1 H 7.28 0.02 1 896 . 103 PHE HD2 H 7.28 0.02 1 897 . 104 GLY N N 115.64 0.1 1 898 . 104 GLY H H 8.30 0.02 1 899 . 104 GLY CA C 43.63 0.25 1 900 . 104 GLY HA2 H 4.62 0.02 1 901 . 104 GLY HA3 H 3.66 0.02 1 902 . 105 SER N N 119.44 0.1 1 903 . 105 SER H H 8.77 0.02 1 904 . 105 SER CA C 58.95 0.25 1 905 . 105 SER HA H 4.56 0.02 1 906 . 105 SER CB C 64.47 0.25 1 907 . 105 SER HB2 H 4.22 0.02 1 908 . 105 SER HB3 H 3.90 0.02 1 909 . 106 THR N N 130.89 0.1 1 910 . 106 THR H H 8.23 0.02 1 911 . 106 THR CA C 63.01 0.25 1 912 . 106 THR HA H 4.59 0.02 1 913 . 106 THR CB C 69.89 0.25 1 914 . 106 THR HB H 4.46 0.02 1 915 . 106 THR CG2 C 23.36 0.25 1 916 . 106 THR HG2 H 1.35 0.02 1 917 . 107 SER N N 116.81 0.1 1 918 . 107 SER H H 7.83 0.02 1 919 . 107 SER CA C 57.41 0.25 1 920 . 107 SER HA H 4.58 0.02 1 921 . 107 SER CB C 66.49 0.25 1 922 . 107 SER HB2 H 3.65 0.02 1 923 . 107 SER HB3 H 3.73 0.02 1 924 . 108 SER N N 113.94 0.1 1 925 . 108 SER H H 8.01 0.02 1 926 . 108 SER CA C 57.95 0.25 1 927 . 108 SER HA H 4.64 0.02 1 928 . 108 SER CB C 65.52 0.25 1 929 . 108 SER HB2 H 3.45 0.02 1 930 . 108 SER HB3 H 3.80 0.02 1 931 . 109 PHE N N 126.03 0.1 1 932 . 109 PHE H H 9.26 0.02 1 933 . 109 PHE CA C 56.03 0.25 1 934 . 109 PHE HA H 5.99 0.02 1 935 . 109 PHE CB C 43.38 0.25 1 936 . 109 PHE HB2 H 3.02 0.02 1 937 . 109 PHE HB3 H 3.02 0.02 1 938 . 109 PHE HD1 H 7.28 0.02 1 939 . 109 PHE HD2 H 7.28 0.02 1 940 . 109 PHE HE1 H 8.11 0.02 1 941 . 110 CYS N N 126.21 0.1 1 942 . 110 CYS H H 8.71 0.02 1 943 . 110 CYS CA C 55.8 0.25 1 944 . 110 CYS HA H 4.25 0.02 1 945 . 110 CYS CB C 40.01 0.25 1 946 . 110 CYS HB2 H 2.73 0.02 1 947 . 110 CYS HB3 H 3.02 0.02 1 948 . 111 LEU CA C 53.40 0.25 1 949 . 111 LEU CB C 41.08 0.25 1 950 . 112 ILE H H 7.99 0.02 1 951 . 112 ILE CA C 61.74 0.25 1 952 . 112 ILE HA H 4.23 0.02 1 953 . 112 ILE CB C 39.34 0.25 1 954 . 112 ILE HB H 1.58 0.02 1 955 . 112 ILE CG2 C 18.10 0.25 1 956 . 112 ILE HG2 H 0.78 0.02 1 957 . 112 ILE CG1 C 28.75 0.25 1 958 . 112 ILE HG12 H 1.28 0.02 1 959 . 112 ILE HG13 H 0.65 0.02 1 960 . 112 ILE CD1 C 14.49 0.25 1 961 . 112 ILE HD1 H 0.45 0.02 1 962 . 113 SER N N 123.44 0.1 1 963 . 113 SER H H 8.15 0.02 1 964 . 113 SER CA C 56.78 0.25 1 965 . 113 SER HA H 4.52 0.02 1 966 . 113 SER CB C 63.53 0.25 1 967 . 113 SER HB2 H 3.46 0.02 1 968 . 114 GLY N N 120.08 0.1 1 969 . 114 GLY H H 9.01 0.02 1 970 . 114 GLY CA C 47.49 0.25 1 971 . 114 GLY HA2 H 4.07 0.02 1 972 . 114 GLY HA3 H 3.67 0.02 1 973 . 115 SER N N 123.47 0.1 1 974 . 115 SER H H 8.79 0.02 1 975 . 115 SER CA C 58.47 0.25 1 976 . 115 SER HA H 4.54 0.02 1 977 . 115 SER CB C 64.03 0.25 1 978 . 115 SER HB2 H 4.04 0.02 1 979 . 115 SER HB3 H 3.92 0.02 1 980 . 116 SER N N 119.28 0.1 1 981 . 116 SER H H 8.01 0.02 1 982 . 116 SER CA C 56.55 0.25 1 983 . 116 SER HA H 4.64 0.02 1 984 . 116 SER CB C 65.27 0.25 1 985 . 116 SER HB2 H 3.86 0.02 1 986 . 116 SER HB3 H 3.89 0.02 1 987 . 117 VAL N N 118.31 0.1 1 988 . 117 VAL H H 8.06 0.02 1 989 . 117 VAL CA C 59.85 0.25 1 990 . 117 VAL HA H 5.07 0.02 1 991 . 117 VAL CB C 33.58 0.25 1 992 . 117 VAL HB H 1.91 0.02 1 993 . 117 VAL CG1 C 23.01 0.25 1 994 . 117 VAL HG1 H 0.50 0.02 1 995 . 117 VAL CG2 C 20.71 0.25 1 996 . 117 VAL HG2 H 0.45 0.02 1 997 . 118 GLN N N 121.95 0.1 1 998 . 118 GLN H H 8.99 0.02 1 999 . 118 GLN CA C 54.3 0.25 1 1000 . 118 GLN HA H 4.61 0.02 1 1001 . 118 GLN CB C 33.55 0.25 1 1002 . 118 GLN HB2 H 1.79 0.02 1 1003 . 118 GLN HB3 H 2.11 0.02 1 1004 . 118 GLN HE21 H 6.75 0.02 1 1005 . 119 TRP H H 8.31 0.02 1 1006 . 119 TRP CA C 57.1 0.25 1 1007 . 119 TRP HA H 5.02 0.02 1 1008 . 119 TRP CB C 30.44 0.25 1 1009 . 119 TRP HB2 H 2.92 0.02 1 1010 . 119 TRP HB3 H 3.62 0.02 1 1011 . 119 TRP CD1 C 125.99 0.1 1 1012 . 119 TRP HD1 H 7.38 0.02 1 1013 . 119 TRP HE1 H 10.57 0.02 1 1014 . 119 TRP HE3 H 8.34 0.02 1 1015 . 119 TRP CZ2 C 113.55 0.1 1 1016 . 119 TRP HZ2 H 7.26 0.02 1 1017 . 119 TRP CZ3 C 121.1 0.1 1 1018 . 119 TRP HZ3 H 7.44 0.02 1 1019 . 119 TRP CH2 C 122.88 0.1 1 1020 . 119 TRP HH2 H 6.91 0.02 1 1021 . 120 SER N N 114.13 0.1 1 1022 . 120 SER H H 8.27 0.02 1 1023 . 120 SER CA C 57.18 0.25 1 1024 . 120 SER HA H 4.09 0.02 1 1025 . 120 SER CB C 65.53 0.25 1 1026 . 121 ASP N N 126.62 0.1 1 1027 . 121 ASP H H 8.67 0.02 1 1028 . 121 ASP CA C 54.1 0.25 1 1029 . 121 ASP HA H 5.46 0.02 1 1030 . 121 ASP CB C 39.9 0.25 1 1031 . 121 ASP HB2 H 2.51 0.02 1 1032 . 122 PRO CA C 62.36 0.25 1 1033 . 122 PRO CB C 33.59 0.25 1 1034 . 123 LEU H H 7.32 0.02 1 1035 . 123 LEU CA C 53.67 0.25 1 1036 . 123 LEU HA H 5.03 0.02 1 1037 . 123 LEU CB C 45.17 0.25 1 1038 . 123 LEU HB2 H 1.79 0.02 1 1039 . 123 LEU CD1 C 25.21 0.25 1 1040 . 123 LEU HD1 H 0.92 0.02 1 1041 . 123 LEU CD2 C 24.60 0.25 1 1042 . 123 LEU HD2 H 0.87 0.02 1 1043 . 124 PRO CA C 62.5 0.25 1 1044 . 124 PRO HA H 4.34 0.02 1 1045 . 124 PRO CD C 49.5 0.25 1 1046 . 124 PRO HD2 H 2.86 0.02 1 1047 . 124 PRO HD3 H 3.07 0.02 1 1048 . 124 PRO CB C 33.8 0.25 1 1049 . 124 PRO HB2 H 1.46 0.02 1 1050 . 124 PRO HB3 H 1.62 0.02 1 1051 . 124 PRO CG C 26.59 0.25 1 1052 . 125 GLU N N 115.23 0.1 1 1053 . 125 GLU H H 8.11 0.02 1 1054 . 125 GLU CA C 54.65 0.25 1 1055 . 125 GLU HA H 4.55 0.02 1 1056 . 125 GLU CB C 34.12 0.25 1 1057 . 125 GLU HB2 H 1.93 0.02 1 1058 . 125 GLU HB3 H 2.04 0.02 1 1059 . 125 GLU HG2 H 2.21 0.02 1 1060 . 125 GLU HG3 H 2.30 0.02 1 1061 . 126 CYS N N 123.65 0.1 1 1062 . 126 CYS H H 8.98 0.02 1 1063 . 126 CYS CA C 54.10 0.25 1 1064 . 126 CYS HA H 5.41 0.02 1 1065 . 126 CYS CB C 40.37 0.25 1 1066 . 126 CYS HB2 H 2.53 0.02 1 1067 . 126 CYS HB3 H 2.86 0.02 1 1068 . 127 ARG N N 125.17 0.1 1 1069 . 127 ARG H H 9.21 0.02 1 1070 . 127 ARG CA C 55.32 0.25 1 1071 . 127 ARG HA H 4.88 0.02 1 1072 . 127 ARG CB C 33.45 0.25 1 1073 . 127 ARG HB2 H 1.85 0.02 1 1074 . 127 ARG HB3 H 1.93 0.02 1 1075 . 127 ARG CG C 27.90 0.25 1 1076 . 127 ARG HG2 H 1.58 0.02 1 1077 . 127 ARG CD C 43.51 0.25 1 1078 . 127 ARG HD2 H 2.47 0.02 1 1079 . 127 ARG HD3 H 2.87 0.02 1 1080 . 128 GLU N N 127.28 0.1 1 1081 . 128 GLU H H 9.15 0.02 1 1082 . 128 GLU CA C 58.26 0.25 1 1083 . 128 GLU HA H 3.58 0.02 1 1084 . 128 GLU CB C 30.16 0.25 1 1085 . 128 GLU HB2 H 1.80 0.02 1 1086 . 128 GLU HB3 H 1.82 0.02 1 1087 . 128 GLU CG C 36.51 0.25 1 1088 . 128 GLU HG2 H 2.01 0.02 1 1089 . 128 GLU HG3 H 2.01 0.02 1 1090 . 129 HIS N N 125.11 0.1 1 1091 . 129 HIS H H 8.22 0.02 1 stop_ save_