data_6100 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N chemical shift assignents of the 18.5kDa isoform of murine myelin basic protein (MBP) ; _BMRB_accession_number 6100 _BMRB_flat_file_name bmr6100.str _Entry_type original _Submission_date 2004-02-12 _Accession_date 2004-02-16 _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 Libich David S. . 2 Robertson Valerie J. . 3 Monette Martine M. . 4 Harauz George . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 488 "13C chemical shifts" 436 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-29 original author 'original release' 2007-10-19 update author 'update chemical shifts' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Backbone resonance assignments of the 18.5kDa isoform of murine myelin basic protein (MBP) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15243191 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Libich David S. . 2 Robertson Valerie J. . 3 Monette Martine M. . 4 Harauz George . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 545 _Page_last 546 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_molecular_system _Saveframe_category molecular_system _Mol_system_name rmMBP _Abbreviation_common rmMBP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rmMBP $rmMBP stop_ _System_molecular_weight 19421.5 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'formation and maintenance of the myelin sheath' stop_ _Database_query_date . _Details 'Recombinant murine myelin basic protein.' save_ ######################## # Monomeric polymers # ######################## save_rmMBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'myelin basic protein' _Abbreviation_common rmMBP _Molecular_mass 19421.5 _Mol_thiol_state 'not present' loop_ _Biological_function 'formation and maintenance of the myelin sheath' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; ASQKRPSQRSKYLATASTMD HARHGFLPRHRDTGILDSIG RFFSGDRGAPKRGSGKDSHT RTTHYGSLPQKSQHGRTQDE NPVVHFFKNIVTPRTPPPSQ GKGRGLSLSRFSWGAEGQRP GFGYGGRASDYKSAHKGFKG AYDAQGTLSKIFKLGGRDSR SGSPMARRLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 SER 3 GLN 4 LYS 5 ARG 6 PRO 7 SER 8 GLN 9 ARG 10 SER 11 LYS 12 TYR 13 LEU 14 ALA 15 THR 16 ALA 17 SER 18 THR 19 MET 20 ASP 21 HIS 22 ALA 23 ARG 24 HIS 25 GLY 26 PHE 27 LEU 28 PRO 29 ARG 30 HIS 31 ARG 32 ASP 33 THR 34 GLY 35 ILE 36 LEU 37 ASP 38 SER 39 ILE 40 GLY 41 ARG 42 PHE 43 PHE 44 SER 45 GLY 46 ASP 47 ARG 48 GLY 49 ALA 50 PRO 51 LYS 52 ARG 53 GLY 54 SER 55 GLY 56 LYS 57 ASP 58 SER 59 HIS 60 THR 61 ARG 62 THR 63 THR 64 HIS 65 TYR 66 GLY 67 SER 68 LEU 69 PRO 70 GLN 71 LYS 72 SER 73 GLN 74 HIS 75 GLY 76 ARG 77 THR 78 GLN 79 ASP 80 GLU 81 ASN 82 PRO 83 VAL 84 VAL 85 HIS 86 PHE 87 PHE 88 LYS 89 ASN 90 ILE 91 VAL 92 THR 93 PRO 94 ARG 95 THR 96 PRO 97 PRO 98 PRO 99 SER 100 GLN 101 GLY 102 LYS 103 GLY 104 ARG 105 GLY 106 LEU 107 SER 108 LEU 109 SER 110 ARG 111 PHE 112 SER 113 TRP 114 GLY 115 ALA 116 GLU 117 GLY 118 GLN 119 ARG 120 PRO 121 GLY 122 PHE 123 GLY 124 TYR 125 GLY 126 GLY 127 ARG 128 ALA 129 SER 130 ASP 131 TYR 132 LYS 133 SER 134 ALA 135 HIS 136 LYS 137 GLY 138 PHE 139 LYS 140 GLY 141 ALA 142 TYR 143 ASP 144 ALA 145 GLN 146 GLY 147 THR 148 LEU 149 SER 150 LYS 151 ILE 152 PHE 153 LYS 154 LEU 155 GLY 156 GLY 157 ARG 158 ASP 159 SER 160 ARG 161 SER 162 GLY 163 SER 164 PRO 165 MET 166 ALA 167 ARG 168 ARG 169 LEU 170 GLU 171 HIS 172 HIS 173 HIS 174 HIS 175 HIS 176 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 15131 MBP 100.00 176 100.00 100.00 2.36e-121 GB AAA37720 "alternate [Mus musculus]" 58.52 250 100.00 100.00 1.79e-65 GB AAA39496 "18.5 kd myelin basic protein, partial [Mus musculus]" 95.45 169 99.40 100.00 1.97e-114 GB AAA39501 "18.5 kd myelin basic protein [Mus musculus]" 95.45 169 99.40 100.00 1.97e-114 GB EDL09385 "myelin basic protein, isoform CRA_d [Mus musculus]" 58.52 250 100.00 100.00 1.79e-65 REF NP_001020426 "myelin basic protein isoform 3 [Mus musculus]" 95.45 169 99.40 100.00 1.97e-114 REF NP_001020463 "myelin basic protein isoform 2 [Rattus norvegicus]" 96.59 169 97.06 97.65 8.43e-109 REF NP_034907 "Golli-Mbp isoform 1 [Mus musculus]" 58.52 250 100.00 100.00 1.79e-65 REF XP_006526519 "PREDICTED: Golli-Mbp isoform X5 [Mus musculus]" 95.45 302 99.40 100.00 1.91e-114 SP P04370 "RecName: Full=Myelin basic protein; Short=MBP; AltName: Full=Myelin A1 protein [Mus musculus]" 58.52 250 100.00 100.00 1.79e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rmMBP 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 _Vendor_name $rmMBP 'recombinant technology' 'Escherichia coli' Escherichia coli BL21-CodonPlus(DE3)-RP pet22b+ Stratagene 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 $rmMBP 2 mM '[U-15N; U-13C]' 2,2,2-trifluoroethanol-d2 30 % [2H] stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AV _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-HSQC _Sample_label $sample_1 save_ save_CBCANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $sample_1 save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HCC(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(CO)NH _Sample_label $sample_1 save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 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 CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 298 0.1 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP C 13 'methyl carbon' ppm 0.00 external direct cylindrical . parallel 1.0 $entry_citation $entry_citation TSP H 1 'methyl protons' ppm 0.00 external direct cylindrical . parallel 1.0 $entry_citation $entry_citation 'liquid ammonia' N 15 nitrogen ppm 0.00 external indirect . . . 1.0 $entry_citation $entry_citation 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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name rmMBP _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 ALA CA C 54.4 0.3 1 2 . 1 ALA CB C 18.0 0.3 1 3 . 1 ALA HA H 4.07 0.02 1 4 . 1 ALA HB H 1.42 0.02 1 5 . 2 SER CA C 58.3 0.3 1 6 . 2 SER CB C 64.0 0.3 1 7 . 2 SER H H 8.33 0.02 1 8 . 2 SER HA H 4.72 0.02 1 9 . 2 SER HB2 H 4.05 0.02 1 10 . 2 SER N N 115.3 0.3 1 11 . 4 LYS CA C 60.9 0.3 1 12 . 4 LYS CB C 29.2 0.3 1 13 . 4 LYS HA H 4.06 0.02 1 14 . 4 LYS HB2 H 2.04 0.02 2 15 . 4 LYS HB3 H 1.89 0.02 2 16 . 5 ARG CA C 63.9 0.3 1 17 . 5 ARG CB C 32.3 0.3 1 18 . 5 ARG H H 8.11 0.02 1 19 . 5 ARG HA H 4.27 0.02 1 20 . 5 ARG HB3 H 1.95 0.02 1 21 . 5 ARG N N 121.9 0.3 1 22 . 6 PRO CA C 62.8 0.3 1 23 . 6 PRO CB C 31.3 0.3 1 24 . 6 PRO CG C 27.4 0.3 1 25 . 6 PRO CD C 50.1 0.3 1 26 . 6 PRO HA H 4.41 0.02 1 27 . 6 PRO HB2 H 1.91 0.02 1 28 . 7 SER CA C 58.1 0.3 1 29 . 7 SER CB C 63.4 0.3 1 30 . 7 SER H H 8.15 0.02 1 31 . 7 SER HA H 4.36 0.02 1 32 . 7 SER HB2 H 3.89 0.02 1 33 . 7 SER N N 114.1 0.3 1 34 . 8 GLN CA C 56.4 0.3 1 35 . 8 GLN CB C 34.0 0.3 1 36 . 8 GLN HA H 4.58 0.02 1 37 . 8 GLN HB3 H 1.83 0.02 1 38 . 9 ARG CA C 56.4 0.3 1 39 . 9 ARG CB C 30.3 0.3 1 40 . 9 ARG CD C 43.1 0.3 1 41 . 9 ARG H H 8.43 0.02 1 42 . 9 ARG HA H 4.36 0.02 1 43 . 9 ARG HB3 H 1.88 0.02 1 44 . 9 ARG N N 122.0 0.3 1 45 . 10 SER CA C 58.7 0.3 1 46 . 10 SER CB C 63.4 0.3 1 47 . 10 SER H H 8.13 0.02 1 48 . 10 SER HA H 4.41 0.02 1 49 . 10 SER N N 114.6 0.3 1 50 . 11 LYS CA C 56.3 0.3 1 51 . 11 LYS CB C 30.6 0.3 1 52 . 11 LYS CE C 43.2 0.3 1 53 . 11 LYS HA H 4.28 0.02 1 54 . 11 LYS HB3 H 1.80 0.02 1 55 . 12 TYR CA C 56.9 0.3 1 56 . 12 TYR CB C 40.7 0.3 1 57 . 12 TYR H H 8.35 0.02 1 58 . 12 TYR HA H 4.61 0.02 1 59 . 12 TYR HB3 H 3.06 0.02 1 60 . 12 TYR N N 120.3 0.3 1 61 . 13 LEU CA C 55.9 0.3 1 62 . 13 LEU CB C 41.8 0.3 1 63 . 13 LEU CG C 26.9 0.3 1 64 . 13 LEU CD1 C 24.5 0.3 1 65 . 13 LEU CD2 C 23.0 0.3 1 66 . 13 LEU H H 7.88 0.02 1 67 . 13 LEU HA H 4.14 0.02 1 68 . 13 LEU HB2 H 1.69 0.02 2 69 . 13 LEU HB3 H 1.60 0.02 2 70 . 13 LEU N N 123.1 0.3 1 71 . 14 ALA CA C 53.6 0.3 1 72 . 14 ALA CB C 18.3 0.3 1 73 . 14 ALA H H 8.07 0.02 1 74 . 14 ALA HA H 4.24 0.02 1 75 . 14 ALA HB H 1.44 0.02 1 76 . 14 ALA N N 122.9 0.3 1 77 . 15 THR CA C 63.1 0.3 1 78 . 15 THR CB C 69.4 0.3 1 79 . 15 THR CG2 C 21.1 0.3 1 80 . 15 THR H H 7.88 0.02 1 81 . 15 THR HA H 4.73 0.02 1 82 . 15 THR HB H 4.20 0.02 1 83 . 15 THR N N 112.5 0.3 1 84 . 16 ALA CA C 53.6 0.3 1 85 . 16 ALA CB C 18.3 0.3 1 86 . 16 ALA H H 8.24 0.02 1 87 . 16 ALA HA H 4.23 0.02 1 88 . 16 ALA HB H 1.33 0.02 1 89 . 16 ALA N N 125.1 0.3 1 90 . 17 SER CA C 59.3 0.3 1 91 . 17 SER CB C 63.5 0.3 1 92 . 17 SER H H 8.23 0.02 1 93 . 17 SER HA H 4.42 0.02 1 94 . 17 SER HB2 H 3.97 0.02 1 95 . 17 SER N N 113.2 0.3 1 96 . 18 THR CA C 62.6 0.3 1 97 . 18 THR CB C 69.5 0.3 1 98 . 18 THR CG2 C 21.0 0.3 1 99 . 18 THR H H 7.96 0.02 1 100 . 18 THR HA H 4.29 0.02 1 101 . 18 THR HB H 3.96 0.02 1 102 . 18 THR N N 114.3 0.3 1 103 . 19 MET CA C 56.3 0.3 1 104 . 19 MET CB C 32.0 0.3 1 105 . 19 MET H H 8.11 0.02 1 106 . 19 MET HA H 4.33 0.02 1 107 . 19 MET HB2 H 2.07 0.02 1 108 . 19 MET N N 120.5 0.3 1 109 . 20 ASP CA C 55.4 0.3 1 110 . 20 ASP CB C 40.8 0.3 1 111 . 20 ASP H H 8.14 0.02 1 112 . 20 ASP HA H 4.32 0.02 1 113 . 20 ASP HB2 H 2.54 0.02 1 114 . 20 ASP N N 120.2 0.3 1 115 . 21 HIS CA C 57.5 0.3 1 116 . 21 HIS CB C 32.2 0.3 1 117 . 21 HIS H H 7.86 0.02 1 118 . 21 HIS HA H 4.64 0.02 1 119 . 21 HIS HB3 H 3.13 0.02 1 120 . 21 HIS N N 122.2 0.3 1 121 . 22 ALA CA C 53.4 0.3 1 122 . 22 ALA CB C 18.5 0.3 1 123 . 22 ALA H H 7.87 0.02 1 124 . 22 ALA HA H 4.57 0.02 1 125 . 22 ALA HB H 1.51 0.02 1 126 . 22 ALA N N 122.6 0.3 1 127 . 23 ARG CA C 56.9 0.3 1 128 . 23 ARG CB C 30.2 0.3 1 129 . 23 ARG CG C 26.2 0.3 1 130 . 23 ARG CD C 43.0 0.3 1 131 . 23 ARG H H 7.93 0.02 1 132 . 23 ARG HA H 4.16 0.02 1 133 . 23 ARG HB3 H 1.76 0.02 1 134 . 23 ARG N N 116.8 0.3 1 135 . 24 HIS CA C 56.5 0.3 1 136 . 24 HIS CB C 30.6 0.3 1 137 . 24 HIS H H 7.85 0.02 1 138 . 24 HIS HA H 4.58 0.02 1 139 . 24 HIS HB3 H 3.07 0.02 1 140 . 24 HIS N N 117.4 0.3 1 141 . 25 GLY CA C 45.0 0.3 1 142 . 25 GLY H H 8.31 0.02 1 143 . 25 GLY HA2 H 3.93 0.02 1 144 . 25 GLY N N 108.7 0.3 1 145 . 26 PHE CA C 57.4 0.3 1 146 . 26 PHE CB C 39.3 0.3 1 147 . 26 PHE H H 7.91 0.02 1 148 . 26 PHE HA H 4.49 0.02 1 149 . 26 PHE HB3 H 3.06 0.02 1 150 . 26 PHE N N 118.1 0.3 1 151 . 27 LEU CA C 52.3 0.3 1 152 . 27 LEU CB C 43.1 0.3 1 153 . 27 LEU H H 7.65 0.02 1 154 . 27 LEU HA H 4.44 0.02 1 155 . 27 LEU HB2 H 1.59 0.02 2 156 . 27 LEU HB3 H 1.32 0.02 2 157 . 27 LEU N N 119.8 0.3 1 158 . 28 PRO CA C 62.3 0.3 1 159 . 28 PRO CB C 34.3 0.3 1 160 . 28 PRO CG C 28.8 0.3 1 161 . 28 PRO CD C 49.9 0.3 1 162 . 28 PRO HA H 4.50 0.02 1 163 . 28 PRO HB2 H 2.35 0.02 2 164 . 28 PRO HB3 H 2.12 0.02 2 165 . 29 ARG CA C 56.3 0.3 1 166 . 29 ARG CB C 32.8 0.3 1 167 . 29 ARG CG C 29.2 0.3 1 168 . 29 ARG CD C 42.0 0.3 1 169 . 29 ARG H H 8.64 0.02 1 170 . 29 ARG HA H 4.28 0.02 1 171 . 29 ARG HB3 H 1.78 0.02 1 172 . 29 ARG N N 120.7 0.3 1 173 . 30 HIS CA C 53.5 0.3 1 174 . 30 HIS CB C 30.3 0.3 1 175 . 30 HIS H H 8.26 0.02 1 176 . 30 HIS HA H 4.60 0.02 1 177 . 30 HIS HB3 H 2.70 0.02 1 178 . 30 HIS N N 122.2 0.3 1 179 . 31 ARG CA C 56.2 0.3 1 180 . 31 ARG CB C 29.9 0.3 1 181 . 31 ARG CG C 27.2 0.3 1 182 . 31 ARG CD C 43.1 0.3 1 183 . 31 ARG H H 8.27 0.02 1 184 . 31 ARG HA H 4.29 0.02 1 185 . 31 ARG HB3 H 1.82 0.02 1 186 . 31 ARG N N 121.0 0.3 1 187 . 32 ASP CA C 54.6 0.3 1 188 . 32 ASP CB C 40.9 0.3 1 189 . 32 ASP H H 8.44 0.02 1 190 . 32 ASP HA H 4.66 0.02 1 191 . 32 ASP HB2 H 2.73 0.02 1 192 . 32 ASP N N 120.7 0.3 1 193 . 33 THR CA C 63.0 0.3 1 194 . 33 THR CB C 69.0 0.3 1 195 . 33 THR CG2 C 21.6 0.3 1 196 . 33 THR H H 8.09 0.02 1 197 . 33 THR HA H 4.62 0.02 1 198 . 33 THR HB H 4.21 0.02 1 199 . 33 THR N N 113.3 0.3 1 200 . 34 GLY CA C 46.1 0.3 1 201 . 34 GLY H H 8.49 0.02 1 202 . 34 GLY HA2 H 3.99 0.02 1 203 . 34 GLY N N 110.3 0.3 1 204 . 35 ILE CA C 63.2 0.3 1 205 . 35 ILE CB C 37.9 0.3 1 206 . 35 ILE CG1 C 28.1 0.3 1 207 . 35 ILE CG2 C 16.8 0.3 1 208 . 35 ILE CD1 C 12.4 0.3 1 209 . 35 ILE H H 7.93 0.02 1 210 . 35 ILE HA H 4.42 0.02 1 211 . 35 ILE HB H 1.89 0.02 1 212 . 35 ILE N N 121.0 0.3 1 213 . 36 LEU CA C 57.0 0.3 1 214 . 36 LEU CB C 41.2 0.3 1 215 . 36 LEU CG C 26.8 0.3 1 216 . 36 LEU CD1 C 24.1 0.3 1 217 . 36 LEU CD2 C 22.4 0.3 1 218 . 36 LEU H H 7.96 0.02 1 219 . 36 LEU HA H 4.17 0.02 1 220 . 36 LEU HB2 H 1.81 0.02 2 221 . 36 LEU HB3 H 1.55 0.02 2 222 . 36 LEU N N 121.0 0.3 1 223 . 37 ASP CA C 56.2 0.3 1 224 . 37 ASP CB C 40.7 0.3 1 225 . 37 ASP H H 8.15 0.02 1 226 . 37 ASP HA H 4.47 0.02 1 227 . 37 ASP HB2 H 2.72 0.02 1 228 . 37 ASP N N 118.7 0.3 1 229 . 38 SER CA C 58.9 0.3 1 230 . 38 SER CB C 62.9 0.3 1 231 . 38 SER H H 7.92 0.02 1 232 . 38 SER HA H 4.29 0.02 1 233 . 38 SER HB2 H 3.98 0.02 1 234 . 38 SER N N 114.8 0.3 1 235 . 39 ILE CA C 63.9 0.3 1 236 . 39 ILE CB C 37.9 0.3 1 237 . 39 ILE CG1 C 27.9 0.3 1 238 . 39 ILE CG2 C 16.7 0.3 1 239 . 39 ILE CD1 C 12.3 0.3 1 240 . 39 ILE H H 8.12 0.02 1 241 . 39 ILE HA H 3.94 0.02 1 242 . 39 ILE HB H 1.97 0.02 1 243 . 39 ILE N N 122.1 0.3 1 244 . 40 GLY CA C 46.6 0.3 1 245 . 40 GLY H H 8.30 0.02 1 246 . 40 GLY HA2 H 3.75 0.02 1 247 . 40 GLY N N 107.2 0.3 1 248 . 41 ARG CA C 56.8 0.3 1 249 . 41 ARG CB C 30.3 0.3 1 250 . 41 ARG CG C 24.4 0.3 1 251 . 41 ARG CD C 42.0 0.3 1 252 . 41 ARG H H 7.93 0.02 1 253 . 41 ARG HA H 4.21 0.02 1 254 . 41 ARG HB3 H 1.82 0.02 1 255 . 41 ARG N N 117.5 0.3 1 256 . 42 PHE CA C 58.9 0.3 1 257 . 42 PHE CB C 38.2 0.3 1 258 . 42 PHE H H 7.99 0.02 1 259 . 42 PHE HA H 4.43 0.02 1 260 . 42 PHE HB2 H 3.22 0.02 2 261 . 42 PHE HB3 H 3.07 0.02 2 262 . 42 PHE N N 119.9 0.3 1 263 . 43 PHE CA C 57.7 0.3 1 264 . 43 PHE CB C 39.2 0.3 1 265 . 43 PHE H H 7.89 0.02 1 266 . 43 PHE HA H 4.47 0.02 1 267 . 43 PHE HB2 H 3.01 0.02 2 268 . 43 PHE HB3 H 2.87 0.02 2 269 . 43 PHE N N 119.0 0.3 1 270 . 44 SER CA C 59.1 0.3 1 271 . 44 SER CB C 63.4 0.3 1 272 . 44 SER H H 7.86 0.02 1 273 . 44 SER HA H 4.43 0.02 1 274 . 44 SER HB2 H 3.91 0.02 1 275 . 44 SER N N 115.8 0.3 1 276 . 45 GLY CA C 44.9 0.3 1 277 . 45 GLY H H 8.25 0.02 1 278 . 45 GLY HA2 H 3.94 0.02 1 279 . 45 GLY N N 109.6 0.3 1 280 . 46 ASP CA C 54.3 0.3 1 281 . 46 ASP CB C 41.1 0.3 1 282 . 46 ASP H H 8.17 0.02 1 283 . 46 ASP HA H 4.32 0.02 1 284 . 46 ASP HB2 H 2.68 0.02 1 285 . 46 ASP N N 120.1 0.3 1 286 . 47 ARG CA C 56.1 0.3 1 287 . 47 ARG CB C 33.0 0.3 1 288 . 47 ARG CG C 24.5 0.3 1 289 . 47 ARG CD C 43.2 0.3 1 290 . 47 ARG H H 8.27 0.02 1 291 . 47 ARG HA H 4.29 0.02 1 292 . 47 ARG HB3 H 1.69 0.02 1 293 . 47 ARG N N 120.8 0.3 1 294 . 48 GLY CA C 45.2 0.3 1 295 . 48 GLY H H 8.41 0.02 1 296 . 48 GLY HA2 H 3.91 0.02 1 297 . 48 GLY N N 108.8 0.3 1 298 . 49 ALA CA C 50.5 0.3 1 299 . 49 ALA CB C 17.7 0.3 1 300 . 49 ALA H H 7.89 0.02 1 301 . 49 ALA HA H 4.53 0.02 1 302 . 49 ALA HB H 1.38 0.02 1 303 . 49 ALA N N 124.0 0.3 1 304 . 50 PRO CA C 63.3 0.3 1 305 . 50 PRO CB C 31.4 0.3 1 306 . 50 PRO CG C 30.3 0.3 1 307 . 50 PRO CD C 50.2 0.3 1 308 . 50 PRO HA H 4.34 0.02 1 309 . 50 PRO HB2 H 2.23 0.02 1 310 . 51 LYS CA C 56.0 0.3 1 311 . 51 LYS CB C 31.6 0.3 1 312 . 51 LYS CG C 26.8 0.3 1 313 . 51 LYS CD C 30.3 0.3 1 314 . 51 LYS CE C 42.0 0.3 1 315 . 51 LYS H H 8.11 0.02 1 316 . 51 LYS HA H 4.28 0.02 1 317 . 51 LYS HB2 H 1.80 0.02 2 318 . 51 LYS HB3 H 1.65 0.02 2 319 . 51 LYS N N 119.1 0.3 1 320 . 52 ARG CA C 55.7 0.3 1 321 . 52 ARG CB C 30.5 0.3 1 322 . 52 ARG CG C 28.1 0.3 1 323 . 52 ARG CD C 43.1 0.3 1 324 . 52 ARG H H 8.05 0.02 1 325 . 52 ARG HA H 4.34 0.02 1 326 . 52 ARG HB3 H 1.93 0.02 1 327 . 52 ARG N N 119.0 0.3 1 328 . 53 GLY CA C 44.7 0.3 1 329 . 53 GLY H H 8.33 0.02 1 330 . 53 GLY HA2 H 3.91 0.02 1 331 . 53 GLY N N 108.1 0.3 1 332 . 54 SER CA C 58.2 0.3 1 333 . 54 SER CB C 63.9 0.3 1 334 . 54 SER H H 8.28 0.02 1 335 . 54 SER HA H 4.44 0.02 1 336 . 54 SER HB2 H 3.92 0.02 1 337 . 54 SER N N 114.8 0.3 1 338 . 55 GLY CA C 45.2 0.3 1 339 . 55 GLY H H 8.54 0.02 1 340 . 55 GLY HA2 H 3.91 0.02 1 341 . 55 GLY N N 110.4 0.3 1 342 . 56 LYS CA C 56.9 0.3 1 343 . 56 LYS CB C 30.1 0.3 1 344 . 56 LYS CG C 21.2 0.3 1 345 . 56 LYS CE C 43.0 0.3 1 346 . 56 LYS H H 8.02 0.02 1 347 . 56 LYS HA H 4.31 0.02 1 348 . 56 LYS HB3 H 1.87 0.02 1 349 . 56 LYS N N 119.6 0.3 1 350 . 57 ASP CA C 54.0 0.3 1 351 . 57 ASP CB C 40.9 0.3 1 352 . 57 ASP H H 8.12 0.02 1 353 . 57 ASP HA H 4.66 0.02 1 354 . 57 ASP HB2 H 2.73 0.02 1 355 . 57 ASP N N 120.6 0.3 1 356 . 58 SER CA C 58.7 0.3 1 357 . 58 SER CB C 63.8 0.3 1 358 . 58 SER H H 8.29 0.02 1 359 . 58 SER HA H 4.50 0.02 1 360 . 58 SER HB2 H 3.86 0.02 1 361 . 58 SER N N 117.0 0.3 1 362 . 59 HIS CA C 54.0 0.3 1 363 . 59 HIS CB C 31.0 0.3 1 364 . 59 HIS H H 8.05 0.02 1 365 . 59 HIS HA H 4.55 0.02 1 366 . 59 HIS HB2 H 3.01 0.02 2 367 . 59 HIS HB3 H 2.86 0.02 2 368 . 59 HIS N N 123.5 0.3 1 369 . 60 THR CA C 59.3 0.3 1 370 . 60 THR CB C 69.6 0.3 1 371 . 60 THR H H 7.87 0.02 1 372 . 60 THR HA H 4.59 0.02 1 373 . 60 THR HB H 4.09 0.02 1 374 . 60 THR N N 115.6 0.3 1 375 . 61 ARG CA C 56.3 0.3 1 376 . 61 ARG CB C 30.5 0.3 1 377 . 61 ARG CD C 43.2 0.3 1 378 . 61 ARG HA H 4.39 0.02 1 379 . 61 ARG HB3 H 1.85 0.02 1 380 . 62 THR CA C 61.9 0.3 1 381 . 62 THR CB C 69.5 0.3 1 382 . 62 THR CG2 C 21.0 0.3 1 383 . 62 THR H H 8.07 0.02 1 384 . 62 THR HA H 4.39 0.02 1 385 . 62 THR HB H 4.24 0.02 1 386 . 62 THR N N 113.9 0.3 1 387 . 63 THR H H 7.98 0.02 1 388 . 63 THR N N 115.1 0.3 1 389 . 64 HIS CA C 59.7 0.3 1 390 . 64 HIS CB C 31.6 0.3 1 391 . 64 HIS HA H 4.34 0.02 1 392 . 64 HIS HB3 H 3.02 0.02 1 393 . 65 TYR CA C 58.7 0.3 1 394 . 65 TYR CB C 39.2 0.3 1 395 . 65 TYR H H 8.07 0.02 1 396 . 65 TYR HA H 4.54 0.02 1 397 . 65 TYR HB2 H 3.30 0.02 2 398 . 65 TYR HB3 H 3.02 0.02 2 399 . 65 TYR N N 117.5 0.3 1 400 . 66 GLY CA C 45.0 0.3 1 401 . 66 GLY H H 8.18 0.02 1 402 . 66 GLY HA2 H 3.88 0.02 1 403 . 66 GLY N N 109.7 0.3 1 404 . 67 SER CA C 56.1 0.3 1 405 . 67 SER CB C 63.5 0.3 1 406 . 67 SER H H 8.02 0.02 1 407 . 67 SER HA H 4.51 0.02 1 408 . 67 SER HB2 H 3.86 0.02 1 409 . 67 SER N N 115.8 0.3 1 410 . 68 LEU CA C 53.3 0.3 1 411 . 68 LEU CB C 41.5 0.3 1 412 . 68 LEU H H 8.05 0.02 1 413 . 68 LEU HA H 4.62 0.02 1 414 . 68 LEU HB2 H 1.61 0.02 1 415 . 68 LEU N N 123.8 0.3 1 416 . 69 PRO CA C 64.2 0.3 1 417 . 69 PRO CB C 31.5 0.3 1 418 . 69 PRO CG C 26.6 0.3 1 419 . 69 PRO CD C 50.6 0.3 1 420 . 69 PRO HA H 4.38 0.02 1 421 . 69 PRO HB2 H 2.35 0.02 1 422 . 70 GLN CA C 59.1 0.3 1 423 . 70 GLN CB C 32.0 0.3 1 424 . 70 GLN H H 8.10 0.02 1 425 . 70 GLN HA H 4.33 0.02 1 426 . 70 GLN HB3 H 1.99 0.02 1 427 . 70 GLN N N 117.1 0.3 1 428 . 71 LYS CA C 56.9 0.3 1 429 . 71 LYS CB C 30.3 0.3 1 430 . 71 LYS CG C 24.6 0.3 1 431 . 71 LYS CD C 29.4 0.3 1 432 . 71 LYS CE C 41.9 0.3 1 433 . 71 LYS H H 7.92 0.02 1 434 . 71 LYS HA H 4.12 0.02 1 435 . 71 LYS HB3 H 1.79 0.02 1 436 . 71 LYS N N 116.8 0.3 1 437 . 72 SER CA C 58.4 0.3 1 438 . 72 SER CB C 63.7 0.3 1 439 . 72 SER H H 7.96 0.02 1 440 . 72 SER HA H 4.44 0.02 1 441 . 72 SER HB2 H 3.86 0.02 1 442 . 72 SER N N 114.1 0.3 1 443 . 73 GLN CA C 55.4 0.3 1 444 . 73 GLN CB C 32.5 0.3 1 445 . 73 GLN CG C 33.6 0.3 1 446 . 73 GLN H H 8.10 0.02 1 447 . 73 GLN HA H 4.56 0.02 1 448 . 73 GLN HB3 H 1.67 0.02 1 449 . 73 GLN N N 122.6 0.3 1 450 . 74 HIS CA C 56.0 0.3 1 451 . 74 HIS CB C 30.7 0.3 1 452 . 74 HIS H H 8.31 0.02 1 453 . 74 HIS HA H 4.55 0.02 1 454 . 74 HIS HB2 H 3.15 0.02 2 455 . 74 HIS HB3 H 3.01 0.02 2 456 . 74 HIS N N 121.8 0.3 1 457 . 75 GLY CA C 45.2 0.3 1 458 . 75 GLY H H 8.08 0.02 1 459 . 75 GLY HA2 H 3.94 0.02 1 460 . 75 GLY N N 107.8 0.3 1 461 . 76 ARG CA C 55.9 0.3 1 462 . 76 ARG CB C 30.3 0.3 1 463 . 76 ARG CD C 43.1 0.3 1 464 . 76 ARG H H 7.98 0.02 1 465 . 76 ARG HA H 4.48 0.02 1 466 . 76 ARG HB3 H 1.88 0.02 1 467 . 76 ARG N N 121.2 0.3 1 468 . 77 THR CA C 61.8 0.3 1 469 . 77 THR CB C 69.6 0.3 1 470 . 77 THR CG2 C 21.2 0.3 1 471 . 77 THR H H 8.19 0.02 1 472 . 77 THR HA H 4.75 0.02 1 473 . 77 THR HB H 4.35 0.02 1 474 . 77 THR N N 114.5 0.3 1 475 . 78 GLN CA C 56.1 0.3 1 476 . 78 GLN CB C 29.2 0.3 1 477 . 78 GLN H H 8.45 0.02 1 478 . 78 GLN HA H 4.33 0.02 1 479 . 78 GLN HB3 H 2.37 0.02 1 480 . 78 GLN N N 121.2 0.3 1 481 . 79 ASP CA C 54.5 0.3 1 482 . 79 ASP CB C 41.0 0.3 1 483 . 79 ASP H H 8.23 0.02 1 484 . 79 ASP HA H 4.58 0.02 1 485 . 79 ASP HB2 H 2.65 0.02 1 486 . 79 ASP N N 120.6 0.3 1 487 . 80 GLU CA C 56.1 0.3 1 488 . 80 GLU CB C 30.3 0.3 1 489 . 80 GLU H H 8.18 0.02 1 490 . 80 GLU HA H 4.30 0.02 1 491 . 80 GLU HB2 H 1.99 0.02 1 492 . 80 GLU N N 120.2 0.3 1 493 . 81 ASN CA C 51.3 0.3 1 494 . 81 ASN CB C 38.9 0.3 1 495 . 81 ASN H H 8.20 0.02 1 496 . 81 ASN HA H 4.58 0.02 1 497 . 81 ASN HB2 H 2.66 0.02 1 498 . 81 ASN N N 120.5 0.3 1 499 . 82 PRO CA C 64.7 0.3 1 500 . 82 PRO CB C 32.8 0.3 1 501 . 82 PRO CG C 27.4 0.3 1 502 . 82 PRO CD C 50.7 0.3 1 503 . 82 PRO HA H 4.36 0.02 1 504 . 82 PRO HB2 H 1.91 0.02 1 505 . 83 VAL CA C 65.8 0.3 1 506 . 83 VAL CB C 31.7 0.3 1 507 . 83 VAL CG1 C 21.1 0.3 1 508 . 83 VAL CG2 C 20.2 0.3 1 509 . 83 VAL H H 7.92 0.02 1 510 . 83 VAL HA H 3.79 0.02 1 511 . 83 VAL HB H 2.17 0.02 1 512 . 83 VAL HG2 H 1.01 0.02 1 513 . 83 VAL N N 117.8 0.3 1 514 . 84 VAL CA C 65.2 0.3 1 515 . 84 VAL CB C 31.1 0.3 1 516 . 84 VAL CG1 C 18.3 0.3 1 517 . 84 VAL H H 7.45 0.02 1 518 . 84 VAL HA H 3.73 0.02 1 519 . 84 VAL HB H 2.11 0.02 1 520 . 84 VAL N N 119.1 0.3 1 521 . 85 HIS CA C 59.7 0.3 1 522 . 85 HIS CB C 30.3 0.3 1 523 . 85 HIS H H 7.90 0.02 1 524 . 85 HIS HA H 4.68 0.02 1 525 . 85 HIS HB3 H 3.07 0.02 1 526 . 85 HIS N N 117.9 0.3 1 527 . 86 PHE CA C 60.9 0.3 1 528 . 86 PHE CB C 38.8 0.3 1 529 . 86 PHE H H 8.09 0.02 1 530 . 86 PHE HA H 4.21 0.02 1 531 . 86 PHE HB3 H 3.22 0.02 1 532 . 86 PHE N N 119.7 0.3 1 533 . 87 PHE CA C 61.3 0.3 1 534 . 87 PHE CB C 38.3 0.3 1 535 . 87 PHE H H 8.41 0.02 1 536 . 87 PHE HA H 4.16 0.02 1 537 . 87 PHE HB3 H 3.15 0.02 1 538 . 87 PHE N N 118.7 0.3 1 539 . 88 LYS CA C 59.0 0.3 1 540 . 88 LYS CB C 32.3 0.3 1 541 . 88 LYS CG C 25.0 0.3 1 542 . 88 LYS CD C 29.6 0.3 1 543 . 88 LYS CE C 41.7 0.3 1 544 . 88 LYS H H 8.57 0.02 1 545 . 88 LYS HA H 3.98 0.02 1 546 . 88 LYS HB3 H 1.86 0.02 1 547 . 88 LYS N N 118.1 0.3 1 548 . 89 ASN CA C 54.6 0.3 1 549 . 89 ASN CB C 39.4 0.3 1 550 . 89 ASN H H 7.80 0.02 1 551 . 89 ASN HA H 4.59 0.02 1 552 . 89 ASN HB2 H 2.61 0.02 1 553 . 89 ASN N N 114.5 0.3 1 554 . 90 ILE CA C 62.0 0.3 1 555 . 90 ILE CB C 37.6 0.3 1 556 . 90 ILE CG1 C 26.9 0.3 1 557 . 90 ILE CG2 C 16.6 0.3 1 558 . 90 ILE CD1 C 11.4 0.3 1 559 . 90 ILE H H 7.64 0.02 1 560 . 90 ILE HA H 4.03 0.02 1 561 . 90 ILE HB H 1.76 0.02 1 562 . 90 ILE HG13 H 1.30 0.02 1 563 . 90 ILE HG2 H 1.04 0.02 1 564 . 90 ILE HD1 H 0.72 0.02 1 565 . 90 ILE N N 118.1 0.3 1 566 . 91 VAL CA C 63.4 0.3 1 567 . 91 VAL CB C 31.9 0.3 1 568 . 91 VAL CG1 C 20.3 0.3 1 569 . 91 VAL H H 7.52 0.02 1 570 . 91 VAL HA H 3.92 0.02 1 571 . 91 VAL HB H 2.04 0.02 1 572 . 91 VAL HG2 H 0.81 0.02 1 573 . 91 VAL N N 117.7 0.3 1 574 . 92 THR CA C 61.5 0.3 1 575 . 92 THR CB C 69.1 0.3 1 576 . 92 THR H H 7.72 0.02 1 577 . 92 THR HA H 4.42 0.02 1 578 . 92 THR HB H 4.20 0.02 1 579 . 92 THR N N 116.6 0.3 1 580 . 93 PRO CA C 63.0 0.3 1 581 . 93 PRO CB C 31.5 0.3 1 582 . 93 PRO CG C 27.4 0.3 1 583 . 93 PRO CD C 50.2 0.3 1 584 . 93 PRO HA H 4.40 0.02 1 585 . 93 PRO HB2 H 2.27 0.02 1 586 . 94 ARG CA C 56.4 0.3 1 587 . 94 ARG CB C 32.7 0.3 1 588 . 94 ARG CG C 29.1 0.3 1 589 . 94 ARG CD C 41.9 0.3 1 590 . 94 ARG H H 8.26 0.02 1 591 . 94 ARG HA H 4.29 0.02 1 592 . 94 ARG HB3 H 1.83 0.02 1 593 . 94 ARG N N 120.5 0.3 1 594 . 95 THR CA C 58.2 0.3 1 595 . 95 THR CB C 69.0 0.3 1 596 . 95 THR H H 8.21 0.02 1 597 . 95 THR HA H 4.50 0.02 1 598 . 95 THR HB H 4.16 0.02 1 599 . 95 THR N N 115.8 0.3 1 600 . 98 PRO CA C 61.5 0.3 1 601 . 98 PRO CB C 31.9 0.3 1 602 . 98 PRO CD C 49.6 0.3 1 603 . 98 PRO HA H 4.45 0.02 1 604 . 99 SER CA C 62.6 0.3 1 605 . 99 SER CB C 64.7 0.3 1 606 . 99 SER H H 7.91 0.02 1 607 . 99 SER HA H 4.71 0.02 1 608 . 99 SER HB2 H 3.95 0.02 1 609 . 99 SER N N 115.4 0.3 1 610 . 100 GLN CA C 56.1 0.3 1 611 . 100 GLN CB C 30.3 0.3 1 612 . 100 GLN H H 8.26 0.02 1 613 . 100 GLN HA H 4.60 0.02 1 614 . 100 GLN HB3 H 2.23 0.02 1 615 . 100 GLN N N 122.4 0.3 1 616 . 101 GLY CA C 45.1 0.3 1 617 . 101 GLY H H 8.32 0.02 1 618 . 101 GLY HA2 H 3.96 0.02 1 619 . 101 GLY N N 109.3 0.3 1 620 . 102 LYS CA C 56.0 0.3 1 621 . 102 LYS CB C 30.7 0.3 1 622 . 102 LYS CD C 27.3 0.3 1 623 . 102 LYS CE C 43.2 0.3 1 624 . 102 LYS H H 8.24 0.02 1 625 . 102 LYS HA H 4.60 0.02 1 626 . 102 LYS HB3 H 1.75 0.02 1 627 . 102 LYS N N 120.1 0.3 1 628 . 103 GLY CA C 44.9 0.3 1 629 . 103 GLY H H 8.44 0.02 1 630 . 103 GLY HA2 H 3.99 0.02 1 631 . 103 GLY N N 109.8 0.3 1 632 . 104 ARG CA C 56.7 0.3 1 633 . 104 ARG CB C 30.7 0.3 1 634 . 104 ARG CG C 29.1 0.3 1 635 . 104 ARG CD C 43.1 0.3 1 636 . 104 ARG H H 7.99 0.02 1 637 . 104 ARG HA H 4.31 0.02 1 638 . 104 ARG HB2 H 1.93 0.02 2 639 . 104 ARG HB3 H 1.80 0.02 2 640 . 104 ARG N N 120.6 0.3 1 641 . 105 GLY CA C 45.0 0.3 1 642 . 105 GLY H H 8.38 0.02 1 643 . 105 GLY HA2 H 3.90 0.02 1 644 . 105 GLY N N 108.6 0.3 1 645 . 106 LEU CA C 54.6 0.3 1 646 . 106 LEU CB C 41.0 0.3 1 647 . 106 LEU CG C 29.5 0.3 1 648 . 106 LEU H H 8.22 0.02 1 649 . 106 LEU HA H 4.35 0.02 1 650 . 106 LEU HB2 H 1.48 0.02 1 651 . 106 LEU N N 120.4 0.3 1 652 . 107 SER CA C 58.1 0.3 1 653 . 107 SER CB C 63.6 0.3 1 654 . 107 SER H H 8.18 0.02 1 655 . 107 SER HA H 4.45 0.02 1 656 . 107 SER HB2 H 3.88 0.02 1 657 . 107 SER N N 115.5 0.3 1 658 . 108 LEU CA C 55.5 0.3 1 659 . 108 LEU CB C 42.0 0.3 1 660 . 108 LEU CG C 26.9 0.3 1 661 . 108 LEU CD1 C 24.3 0.3 1 662 . 108 LEU CD2 C 22.8 0.3 1 663 . 108 LEU H H 8.13 0.02 1 664 . 108 LEU HA H 4.36 0.02 1 665 . 108 LEU HB2 H 1.65 0.02 1 666 . 108 LEU N N 123.3 0.3 1 667 . 109 SER CA C 58.7 0.3 1 668 . 109 SER CB C 63.3 0.3 1 669 . 109 SER H H 8.09 0.02 1 670 . 109 SER HA H 4.39 0.02 1 671 . 109 SER HB2 H 3.96 0.02 1 672 . 109 SER N N 114.7 0.3 1 673 . 110 ARG CA C 56.5 0.3 1 674 . 110 ARG CB C 30.1 0.3 1 675 . 110 ARG CG C 26.9 0.3 1 676 . 110 ARG CD C 42.9 0.3 1 677 . 110 ARG H H 8.38 0.02 1 678 . 110 ARG HA H 3.99 0.02 1 679 . 110 ARG HB3 H 1.58 0.02 1 680 . 110 ARG N N 121.5 0.3 1 681 . 111 PHE CA C 58.2 0.3 1 682 . 111 PHE CB C 38.5 0.3 1 683 . 111 PHE H H 7.90 0.02 1 684 . 111 PHE HA H 4.19 0.02 1 685 . 111 PHE HB3 H 2.97 0.02 1 686 . 111 PHE N N 119.1 0.3 1 687 . 112 SER CA C 57.9 0.3 1 688 . 112 SER CB C 63.8 0.3 1 689 . 112 SER H H 7.97 0.02 1 690 . 112 SER HA H 4.47 0.02 1 691 . 112 SER HB2 H 3.88 0.02 1 692 . 112 SER N N 114.8 0.3 1 693 . 113 TRP CA C 57.4 0.3 1 694 . 113 TRP CB C 29.2 0.3 1 695 . 113 TRP H H 7.90 0.02 1 696 . 113 TRP HA H 4.62 0.02 1 697 . 113 TRP HB3 H 3.26 0.02 1 698 . 113 TRP N N 122.1 0.3 1 699 . 114 GLY CA C 45.1 0.3 1 700 . 114 GLY H H 8.15 0.02 1 701 . 114 GLY HA2 H 3.88 0.02 1 702 . 114 GLY N N 109.0 0.3 1 703 . 115 ALA CA C 52.6 0.3 1 704 . 115 ALA CB C 18.9 0.3 1 705 . 115 ALA H H 8.02 0.02 1 706 . 115 ALA HA H 4.28 0.02 1 707 . 115 ALA HB H 1.37 0.02 1 708 . 115 ALA N N 123.4 0.3 1 709 . 116 GLU CA C 57.2 0.3 1 710 . 116 GLU CB C 29.5 0.3 1 711 . 116 GLU CG C 35.9 0.3 1 712 . 116 GLU H H 8.51 0.02 1 713 . 116 GLU HA H 4.20 0.02 1 714 . 116 GLU HB2 H 2.01 0.02 1 715 . 116 GLU N N 118.9 0.3 1 716 . 117 GLY CA C 45.0 0.3 1 717 . 117 GLY H H 8.19 0.02 1 718 . 117 GLY HA2 H 3.88 0.02 1 719 . 117 GLY N N 108.1 0.3 1 720 . 118 GLN CA C 55.4 0.3 1 721 . 118 GLN CB C 29.2 0.3 1 722 . 118 GLN H H 7.97 0.02 1 723 . 118 GLN HA H 4.28 0.02 1 724 . 118 GLN HB3 H 1.88 0.02 1 725 . 118 GLN N N 118.8 0.3 1 726 . 119 ARG CA C 53.9 0.3 1 727 . 119 ARG CB C 32.3 0.3 1 728 . 119 ARG H H 8.10 0.02 1 729 . 119 ARG HA H 4.56 0.02 1 730 . 119 ARG HB3 H 1.77 0.02 1 731 . 119 ARG N N 122.5 0.3 1 732 . 120 PRO CA C 63.0 0.3 1 733 . 120 PRO CB C 31.5 0.3 1 734 . 120 PRO CG C 27.3 0.3 1 735 . 120 PRO CD C 50.3 0.3 1 736 . 120 PRO HA H 4.30 0.02 1 737 . 120 PRO HB2 H 1.99 0.02 1 738 . 121 GLY CA C 44.9 0.3 1 739 . 121 GLY H H 8.24 0.02 1 740 . 121 GLY HA2 H 3.85 0.02 1 741 . 121 GLY N N 108.4 0.3 1 742 . 122 PHE CA C 57.9 0.3 1 743 . 122 PHE CB C 39.5 0.3 1 744 . 122 PHE H H 7.99 0.02 1 745 . 122 PHE HA H 4.36 0.02 1 746 . 122 PHE HB3 H 3.05 0.02 1 747 . 122 PHE N N 119.5 0.3 1 748 . 123 GLY CA C 44.9 0.3 1 749 . 123 GLY H H 8.20 0.02 1 750 . 123 GLY HA2 H 3.72 0.02 1 751 . 123 GLY N N 109.3 0.3 1 752 . 124 TYR CA C 58.1 0.3 1 753 . 124 TYR CB C 38.4 0.3 1 754 . 124 TYR H H 7.91 0.02 1 755 . 124 TYR HA H 4.48 0.02 1 756 . 124 TYR HB3 H 2.97 0.02 1 757 . 124 TYR N N 119.8 0.3 1 758 . 125 GLY CA C 45.1 0.3 1 759 . 125 GLY H H 8.34 0.02 1 760 . 125 GLY HA2 H 3.88 0.02 1 761 . 125 GLY N N 110.4 0.3 1 762 . 126 GLY CA C 45.0 0.3 1 763 . 126 GLY H H 7.84 0.02 1 764 . 126 GLY HA2 H 3.92 0.02 1 765 . 126 GLY N N 107.5 0.3 1 766 . 127 ARG CA C 55.4 0.3 1 767 . 127 ARG CB C 29.9 0.3 1 768 . 127 ARG CG C 25.4 0.3 1 769 . 127 ARG CD C 43.2 0.3 1 770 . 127 ARG H H 7.93 0.02 1 771 . 127 ARG HA H 4.39 0.02 1 772 . 127 ARG HB2 H 1.88 0.02 2 773 . 127 ARG HB3 H 1.82 0.02 2 774 . 127 ARG N N 118.8 0.3 1 775 . 128 ALA CA C 53.2 0.3 1 776 . 128 ALA CB C 18.4 0.3 1 777 . 128 ALA H H 8.36 0.02 1 778 . 128 ALA N N 124.3 0.3 1 779 . 129 SER CA C 58.8 0.3 1 780 . 129 SER CB C 63.4 0.3 1 781 . 129 SER H H 8.05 0.02 1 782 . 129 SER HA H 4.31 0.02 1 783 . 129 SER HB2 H 3.82 0.02 1 784 . 129 SER N N 112.5 0.3 1 785 . 130 ASP CA C 54.6 0.3 1 786 . 130 ASP CB C 40.8 0.3 1 787 . 130 ASP H H 8.05 0.02 1 788 . 130 ASP HA H 4.48 0.02 1 789 . 130 ASP HB2 H 2.69 0.02 1 790 . 130 ASP N N 121.5 0.3 1 791 . 131 TYR CA C 59.1 0.3 1 792 . 131 TYR CB C 37.9 0.3 1 793 . 131 TYR H H 7.97 0.02 1 794 . 131 TYR HA H 4.42 0.02 1 795 . 131 TYR HB3 H 3.02 0.02 1 796 . 131 TYR N N 120.2 0.3 1 797 . 132 LYS CA C 56.7 0.3 1 798 . 132 LYS CB C 32.2 0.3 1 799 . 132 LYS CG C 24.3 0.3 1 800 . 132 LYS CD C 29.2 0.3 1 801 . 132 LYS CE C 41.7 0.3 1 802 . 132 LYS H H 7.98 0.02 1 803 . 132 LYS HA H 4.38 0.02 1 804 . 132 LYS HB3 H 1.75 0.02 1 805 . 132 LYS N N 120.4 0.3 1 806 . 133 SER CA C 58.2 0.3 1 807 . 133 SER CB C 63.5 0.3 1 808 . 133 SER H H 8.20 0.02 1 809 . 133 SER HA H 4.35 0.02 1 810 . 133 SER HB2 H 3.86 0.02 1 811 . 133 SER N N 115.4 0.3 1 812 . 134 ALA CA C 53.0 0.3 1 813 . 134 ALA CB C 18.3 0.3 1 814 . 134 ALA H H 8.03 0.02 1 815 . 134 ALA HA H 4.51 0.02 1 816 . 134 ALA HB H 1.34 0.02 1 817 . 134 ALA N N 124.8 0.3 1 818 . 135 HIS CA C 56.7 0.3 1 819 . 135 HIS CB C 30.5 0.3 1 820 . 135 HIS H H 8.00 0.02 1 821 . 135 HIS HA H 4.54 0.02 1 822 . 135 HIS HB3 H 3.02 0.02 1 823 . 135 HIS N N 117.0 0.3 1 824 . 136 LYS CA C 57.0 0.3 1 825 . 136 LYS CB C 32.2 0.3 1 826 . 136 LYS CG C 24.3 0.3 1 827 . 136 LYS CD C 29.2 0.3 1 828 . 136 LYS CE C 41.9 0.3 1 829 . 136 LYS H H 7.97 0.02 1 830 . 136 LYS HA H 4.15 0.02 1 831 . 136 LYS HB2 H 2.12 0.02 2 832 . 136 LYS HB3 H 1.80 0.02 2 833 . 136 LYS N N 120.8 0.3 1 834 . 137 GLY CA C 44.9 0.3 1 835 . 137 GLY H H 8.29 0.02 1 836 . 137 GLY HA2 H 3.89 0.02 1 837 . 137 GLY N N 108.4 0.3 1 838 . 138 PHE CA C 58.0 0.3 1 839 . 138 PHE CB C 38.8 0.3 1 840 . 138 PHE H H 7.89 0.02 1 841 . 138 PHE HA H 4.15 0.02 1 842 . 138 PHE HB3 H 2.98 0.02 1 843 . 138 PHE N N 119.7 0.3 1 844 . 139 LYS CA C 56.8 0.3 1 845 . 139 LYS CB C 32.5 0.3 1 846 . 139 LYS CG C 24.4 0.3 1 847 . 139 LYS CD C 28.9 0.3 1 848 . 139 LYS CE C 41.9 0.3 1 849 . 139 LYS H H 8.33 0.02 1 850 . 139 LYS HA H 4.20 0.02 1 851 . 139 LYS HB3 H 1.79 0.02 1 852 . 139 LYS N N 122.5 0.3 1 853 . 140 GLY CA C 45.2 0.3 1 854 . 140 GLY H H 7.74 0.02 1 855 . 140 GLY HA2 H 3.84 0.02 1 856 . 140 GLY N N 107.4 0.3 1 857 . 141 ALA CA C 52.9 0.3 1 858 . 141 ALA CB C 18.4 0.3 1 859 . 141 ALA H H 7.93 0.02 1 860 . 141 ALA HA H 4.45 0.02 1 861 . 141 ALA HB H 1.32 0.02 1 862 . 141 ALA N N 123.2 0.3 1 863 . 142 TYR CA C 58.6 0.3 1 864 . 142 TYR CB C 38.3 0.3 1 865 . 142 TYR H H 8.04 0.02 1 866 . 142 TYR HA H 4.37 0.02 1 867 . 142 TYR HB3 H 2.99 0.02 1 868 . 142 TYR N N 118.3 0.3 1 869 . 143 ASP CA C 54.1 0.3 1 870 . 143 ASP CB C 40.5 0.3 1 871 . 143 ASP H H 8.21 0.02 1 872 . 143 ASP HA H 4.56 0.02 1 873 . 143 ASP HB2 H 2.67 0.02 1 874 . 143 ASP N N 121.4 0.3 1 875 . 144 ALA CA C 54.4 0.3 1 876 . 144 ALA CB C 17.9 0.3 1 877 . 144 ALA H H 8.17 0.02 1 878 . 144 ALA HA H 4.09 0.02 1 879 . 144 ALA HB H 1.42 0.02 1 880 . 144 ALA N N 125.2 0.3 1 881 . 145 GLN CA C 58.3 0.3 1 882 . 145 GLN CB C 28.2 0.3 1 883 . 145 GLN CG C 33.8 0.3 1 884 . 145 GLN H H 8.33 0.02 1 885 . 145 GLN HA H 4.04 0.02 1 886 . 145 GLN HB3 H 1.80 0.02 1 887 . 145 GLN N N 116.6 0.3 1 888 . 146 GLY CA C 46.3 0.3 1 889 . 146 GLY H H 8.32 0.02 1 890 . 146 GLY HA2 H 3.91 0.02 1 891 . 146 GLY N N 108.2 0.3 1 892 . 147 THR CA C 66.0 0.3 1 893 . 147 THR CB C 68.7 0.3 1 894 . 147 THR CG2 C 21.3 0.3 1 895 . 147 THR H H 7.96 0.02 1 896 . 147 THR HA H 4.70 0.02 1 897 . 147 THR HB H 4.23 0.02 1 898 . 147 THR N N 115.2 0.3 1 899 . 148 LEU CA C 57.6 0.3 1 900 . 148 LEU CB C 41.2 0.3 1 901 . 148 LEU CG C 26.8 0.3 1 902 . 148 LEU CD1 C 24.1 0.3 1 903 . 148 LEU CD2 C 22.7 0.3 1 904 . 148 LEU H H 8.37 0.02 1 905 . 148 LEU HA H 4.00 0.02 1 906 . 148 LEU HB2 H 1.74 0.02 2 907 . 148 LEU HB3 H 1.45 0.02 2 908 . 148 LEU N N 121.1 0.3 1 909 . 149 SER CA C 61.3 0.3 1 910 . 149 SER CB C 62.9 0.3 1 911 . 149 SER H H 8.02 0.02 1 912 . 149 SER HA H 4.18 0.02 1 913 . 149 SER HB2 H 3.95 0.02 1 914 . 149 SER N N 112.0 0.3 1 915 . 150 LYS CA C 59.0 0.3 1 916 . 150 LYS CB C 32.1 0.3 1 917 . 150 LYS CG C 25.0 0.3 1 918 . 150 LYS CD C 29.9 0.3 1 919 . 150 LYS CE C 42.0 0.3 1 920 . 150 LYS H H 7.55 0.02 1 921 . 150 LYS HA H 4.10 0.02 1 922 . 150 LYS HB3 H 1.97 0.02 1 923 . 150 LYS N N 120.6 0.3 1 924 . 151 ILE CA C 64.2 0.3 1 925 . 151 ILE CB C 37.9 0.3 1 926 . 151 ILE CG1 C 28.1 0.3 1 927 . 151 ILE CG2 C 16.4 0.3 1 928 . 151 ILE CD1 C 12.4 0.3 1 929 . 151 ILE H H 7.87 0.02 1 930 . 151 ILE HA H 3.74 0.02 1 931 . 151 ILE HB H 1.81 0.02 1 932 . 151 ILE N N 118.7 0.3 1 933 . 152 PHE CA C 59.1 0.3 1 934 . 152 PHE CB C 38.2 0.3 1 935 . 152 PHE H H 8.24 0.02 1 936 . 152 PHE HA H 4.44 0.02 1 937 . 152 PHE HB3 H 3.08 0.02 1 938 . 152 PHE N N 118.6 0.3 1 939 . 153 LYS CA C 57.4 0.3 1 940 . 153 LYS CB C 32.2 0.3 1 941 . 153 LYS CG C 25.0 0.3 1 942 . 153 LYS CD C 29.3 0.3 1 943 . 153 LYS CE C 42.0 0.3 1 944 . 153 LYS H H 8.01 0.02 1 945 . 153 LYS HA H 4.22 0.02 1 946 . 153 LYS HB3 H 1.90 0.02 1 947 . 153 LYS N N 120.1 0.3 1 948 . 154 LEU CA C 56.0 0.3 1 949 . 154 LEU CB C 42.0 0.3 1 950 . 154 LEU CG C 26.7 0.3 1 951 . 154 LEU CD1 C 24.4 0.3 1 952 . 154 LEU CD2 C 22.7 0.3 1 953 . 154 LEU H H 8.09 0.02 1 954 . 154 LEU HA H 4.31 0.02 1 955 . 154 LEU HB2 H 1.81 0.02 2 956 . 154 LEU HB3 H 1.59 0.02 2 957 . 154 LEU HG H 1.60 0.02 1 958 . 154 LEU N N 119.8 0.3 1 959 . 155 GLY CA C 45.3 0.3 1 960 . 155 GLY H H 8.18 0.02 1 961 . 155 GLY HA2 H 3.95 0.02 1 962 . 155 GLY N N 106.8 0.3 1 963 . 156 GLY CA C 45.2 0.3 1 964 . 156 GLY H H 8.11 0.02 1 965 . 156 GLY HA2 H 3.95 0.02 1 966 . 156 GLY N N 107.5 0.3 1 967 . 157 ARG CA C 57.7 0.3 1 968 . 157 ARG CB C 30.5 0.3 1 969 . 157 ARG CD C 44.9 0.3 1 970 . 157 ARG H H 8.07 0.02 1 971 . 157 ARG HA H 4.45 0.02 1 972 . 157 ARG HB3 H 1.80 0.02 1 973 . 157 ARG N N 119.2 0.3 1 974 . 158 ASP CA C 55.3 0.3 1 975 . 158 ASP CB C 39.4 0.3 1 976 . 158 ASP H H 7.98 0.02 1 977 . 158 ASP HA H 4.28 0.02 1 978 . 158 ASP HB2 H 3.03 0.02 1 979 . 158 ASP N N 118.9 0.3 1 980 . 159 SER CA C 58.0 0.3 1 981 . 159 SER CB C 63.5 0.3 1 982 . 159 SER H H 7.85 0.02 1 983 . 159 SER HA H 4.55 0.02 1 984 . 159 SER HB2 H 4.17 0.02 1 985 . 159 SER N N 115.7 0.3 1 986 . 160 ARG CA C 58.8 0.3 1 987 . 160 ARG CB C 30.5 0.3 1 988 . 160 ARG CG C 24.9 0.3 1 989 . 160 ARG CD C 45.0 0.3 1 990 . 160 ARG H H 8.05 0.02 1 991 . 160 ARG HA H 4.10 0.02 1 992 . 160 ARG HB3 H 1.80 0.02 1 993 . 160 ARG N N 118.6 0.3 1 994 . 161 SER CA C 58.9 0.3 1 995 . 161 SER CB C 63.8 0.3 1 996 . 161 SER H H 7.96 0.02 1 997 . 161 SER HA H 4.47 0.02 1 998 . 161 SER HB2 H 3.89 0.02 1 999 . 161 SER N N 114.6 0.3 1 1000 . 162 GLY CA C 45.3 0.3 1 1001 . 162 GLY H H 7.92 0.02 1 1002 . 162 GLY HA2 H 3.94 0.02 1 1003 . 162 GLY N N 109.3 0.3 1 1004 . 163 SER CA C 61.9 0.3 1 1005 . 163 SER CB C 63.8 0.3 1 1006 . 163 SER H H 8.00 0.02 1 1007 . 163 SER HA H 3.98 0.02 1 1008 . 163 SER N N 115.4 0.3 1 1009 . 164 PRO CA C 63.1 0.3 1 1010 . 164 PRO CB C 31.4 0.3 1 1011 . 164 PRO CG C 27.2 0.3 1 1012 . 164 PRO CD C 50.2 0.3 1 1013 . 164 PRO HA H 4.34 0.02 1 1014 . 164 PRO HB2 H 1.83 0.02 1 1015 . 165 MET CA C 55.8 0.3 1 1016 . 165 MET CB C 29.4 0.3 1 1017 . 165 MET CG C 31.4 0.3 1 1018 . 165 MET H H 8.33 0.02 1 1019 . 165 MET HA H 4.30 0.02 1 1020 . 165 MET HB2 H 1.96 0.02 1 1021 . 165 MET N N 119.4 0.3 1 1022 . 166 ALA CA C 53.5 0.3 1 1023 . 166 ALA CB C 18.1 0.3 1 1024 . 166 ALA H H 8.08 0.02 1 1025 . 166 ALA HA H 4.18 0.02 1 1026 . 166 ALA HB H 1.43 0.02 1 1027 . 166 ALA N N 122.3 0.3 1 1028 . 167 ARG CA C 56.4 0.3 1 1029 . 167 ARG CB C 30.1 0.3 1 1030 . 167 ARG CG C 29.0 0.3 1 1031 . 167 ARG CD C 42.0 0.3 1 1032 . 167 ARG H H 7.95 0.02 1 1033 . 167 ARG HA H 4.15 0.02 1 1034 . 167 ARG HB2 H 1.76 0.02 2 1035 . 167 ARG HB3 H 1.54 0.02 2 1036 . 167 ARG N N 117.3 0.3 1 1037 . 168 ARG CA C 56.4 0.3 1 1038 . 168 ARG CB C 30.4 0.3 1 1039 . 168 ARG CG C 26.1 0.3 1 1040 . 168 ARG CD C 43.0 0.3 1 1041 . 168 ARG H H 8.25 0.02 1 1042 . 168 ARG HA H 4.26 0.02 1 1043 . 168 ARG HB3 H 1.88 0.02 1 1044 . 168 ARG N N 122.5 0.3 1 1045 . 169 LEU CA C 55.9 0.3 1 1046 . 169 LEU CB C 41.7 0.3 1 1047 . 169 LEU CG C 26.9 0.3 1 1048 . 169 LEU CD1 C 24.5 0.3 1 1049 . 169 LEU CD2 C 22.9 0.3 1 1050 . 169 LEU H H 8.10 0.02 1 1051 . 169 LEU HA H 4.22 0.02 1 1052 . 169 LEU HB2 H 1.69 0.02 2 1053 . 169 LEU HB3 H 1.55 0.02 2 1054 . 169 LEU N N 121.3 0.3 1 1055 . 170 GLU CA C 57.4 0.3 1 1056 . 170 GLU CB C 29.7 0.3 1 1057 . 170 GLU CG C 35.9 0.3 1 1058 . 170 GLU H H 8.27 0.02 1 1059 . 170 GLU HA H 4.14 0.02 1 1060 . 170 GLU HB2 H 1.96 0.02 1 1061 . 170 GLU N N 119.9 0.3 1 1062 . 171 HIS CA C 58.7 0.3 1 1063 . 171 HIS CB C 30.6 0.3 1 1064 . 171 HIS H H 8.04 0.02 1 1065 . 171 HIS HA H 4.41 0.02 1 1066 . 171 HIS HB3 H 3.02 0.02 1 1067 . 171 HIS N N 118.5 0.3 1 1068 . 172 HIS CA C 56.1 0.3 1 1069 . 172 HIS CB C 30.3 0.3 1 1070 . 172 HIS HA H 4.56 0.02 1 1071 . 172 HIS HB3 H 3.02 0.02 1 1072 . 173 HIS CA C 57.3 0.3 1 1073 . 173 HIS CB C 30.3 0.3 1 1074 . 173 HIS H H 7.82 0.02 1 1075 . 173 HIS HA H 4.38 0.02 1 1076 . 173 HIS HB2 H 3.19 0.02 2 1077 . 173 HIS HB3 H 3.02 0.02 2 1078 . 173 HIS N N 124.7 0.3 1 stop_ save_