data_4731 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H, 13C, and 15N Assignment of the Human Melanoma Inhibitory Activity (MIA) Protein ; _BMRB_accession_number 4731 _BMRB_flat_file_name bmr4731.str _Entry_type original _Submission_date 2000-04-30 _Accession_date 2000-05-01 _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 Stoll Raphael . . 2 Renner Christian . . 3 Ambrosius Dorothee . . 4 Golob Michaela . . 5 Voelter Wolfgang . . 6 Buettner Reinhard . . 7 Bosserhoff Anja-Katrin . . 8 Holak Tad A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 378 "13C chemical shifts" 255 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-04-30 original author . stop_ _Original_release_date 2001-04-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Sequence-specific 1H, 13C, and 15N Assignment of the Human Melanoma Inhibitory Activity (MIA) Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20365226 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stoll Raphael . . 2 Renner Christian . . 3 Ambrosius Dorothee . . 4 Golob Michaela . . 5 Voelter Wolfgang . . 6 Buettner Reinhard . . 7 Bosserhoff Anja-Katrin . . 8 Holak Tad A. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 17 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 87 _Page_last 88 _Year 2000 _Details . loop_ _Keyword 'Human melanoma inhibitory activity' MIA 'NMR assignments' stop_ save_ ################################## # Molecular system description # ################################## save_system_MIA _Saveframe_category molecular_system _Mol_system_name 'human melanoma inhibitory activity (MIA) protein' _Abbreviation_common MIA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human MIA' $human_MIA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_human_MIA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human melanoma inhibitory activity protein' _Abbreviation_common 'human MIA' _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; MGPMPKLADRKLCADQECSH PISMAVALQDYMAPDCRFLT IHRGQVVYVFSKLKGRGRLF WGGSVQGDYYGDLAARLGYF PSSIVREDQTLKPGKVDVKT DKWDFYCQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 PRO 4 MET 5 PRO 6 LYS 7 LEU 8 ALA 9 ASP 10 ARG 11 LYS 12 LEU 13 CYS 14 ALA 15 ASP 16 GLN 17 GLU 18 CYS 19 SER 20 HIS 21 PRO 22 ILE 23 SER 24 MET 25 ALA 26 VAL 27 ALA 28 LEU 29 GLN 30 ASP 31 TYR 32 MET 33 ALA 34 PRO 35 ASP 36 CYS 37 ARG 38 PHE 39 LEU 40 THR 41 ILE 42 HIS 43 ARG 44 GLY 45 GLN 46 VAL 47 VAL 48 TYR 49 VAL 50 PHE 51 SER 52 LYS 53 LEU 54 LYS 55 GLY 56 ARG 57 GLY 58 ARG 59 LEU 60 PHE 61 TRP 62 GLY 63 GLY 64 SER 65 VAL 66 GLN 67 GLY 68 ASP 69 TYR 70 TYR 71 GLY 72 ASP 73 LEU 74 ALA 75 ALA 76 ARG 77 LEU 78 GLY 79 TYR 80 PHE 81 PRO 82 SER 83 SER 84 ILE 85 VAL 86 ARG 87 GLU 88 ASP 89 GLN 90 THR 91 LEU 92 LYS 93 PRO 94 GLY 95 LYS 96 VAL 97 ASP 98 VAL 99 LYS 100 THR 101 ASP 102 LYS 103 TRP 104 ASP 105 PHE 106 TYR 107 CYS 108 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1HJD "Melanoma Inhibitory Activity (Mia) Protein" 92.59 101 100.00 100.00 6.00e-67 PDB 1I1J "Structure Of Melanoma Inhibitory Activity Protein: A Member Of A New Family Of Secreted Proteins" 100.00 108 100.00 100.00 1.93e-73 PDB 1K0X "Solution Structure Of Melanoma Inhibitory Activity Protein" 100.00 108 100.00 100.00 1.93e-73 DBJ BAG63518 "unnamed protein product [Homo sapiens]" 92.59 131 100.00 100.00 3.43e-66 EMBL CAA53203 "melanoma derived growth regulatory protein MIA [Homo sapiens]" 99.07 131 100.00 100.00 1.32e-72 EMBL CAA59195 "melanoma growth regulatory protein [Homo sapiens]" 99.07 131 100.00 100.00 1.32e-72 EMBL CAG46449 "MIA [Homo sapiens]" 99.07 131 100.00 100.00 1.32e-72 GB AAF76220 "melanoma inhibitory activity protein [Mesocricetus auratus]" 88.89 96 100.00 100.00 9.22e-63 GB AAH05910 "Melanoma inhibitory activity [Homo sapiens]" 99.07 131 100.00 100.00 1.32e-72 GB AAP35693 "melanoma inhibitory activity [Homo sapiens]" 99.07 131 100.00 100.00 1.32e-72 GB AAP36443 "Homo sapiens melanoma inhibitory activity [synthetic construct]" 99.07 132 100.00 100.00 1.40e-72 GB AAX29533 "melanoma inhibitory activity, partial [synthetic construct]" 99.07 132 100.00 100.00 1.40e-72 REF NP_001189482 "melanoma-derived growth regulatory protein precursor [Homo sapiens]" 99.07 131 100.00 100.00 1.32e-72 REF NP_001248211 "melanoma-derived growth regulatory protein precursor [Macaca mulatta]" 99.07 131 99.07 100.00 1.30e-71 REF NP_006524 "melanoma-derived growth regulatory protein precursor [Homo sapiens]" 99.07 131 100.00 100.00 1.32e-72 REF XP_001146858 "PREDICTED: melanoma-derived growth regulatory protein isoform X2 [Pan troglodytes]" 99.07 131 100.00 100.00 1.32e-72 REF XP_002829285 "PREDICTED: melanoma-derived growth regulatory protein [Pongo abelii]" 99.07 131 99.07 100.00 6.33e-72 SP Q16674 "RecName: Full=Melanoma-derived growth regulatory protein; AltName: Full=Melanoma inhibitory activity protein; Flags: Precursor" 99.07 131 100.00 100.00 1.32e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $human_MIA 9606 human Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $human_MIA '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 $human_MIA . mM 0.1 1.0 . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 n/a temperature 300 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 H2O H 1 protons ppm 4.73 internal indirect . internal . . DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'human MIA' _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 . 3 PRO C C 173.34 0.05 1 2 . 3 PRO CA C 60.74 0.05 1 3 . 3 PRO CB C 29.91 0.05 1 4 . 4 MET H H 7.83 0.02 1 5 . 4 MET HA H 4.98 0.02 1 6 . 4 MET HB2 H 1.25 0.02 1 7 . 4 MET HB3 H 1.25 0.02 1 8 . 4 MET CA C 49.63 0.05 1 9 . 4 MET N N 122.77 0.05 1 10 . 5 PRO C C 173.80 0.05 1 11 . 5 PRO CA C 60.19 0.05 1 12 . 5 PRO CB C 29.61 0.05 1 13 . 6 LYS H H 8.25 0.02 1 14 . 6 LYS HA H 4.71 0.02 1 15 . 6 LYS HB2 H 1.15 0.02 1 16 . 6 LYS HB3 H 1.15 0.02 1 17 . 6 LYS HE2 H 2.84 0.02 1 18 . 6 LYS HE3 H 2.84 0.02 1 19 . 6 LYS CA C 54.05 0.05 1 20 . 6 LYS N N 119.83 0.05 1 21 . 7 LEU C C 172.40 0.05 1 22 . 7 LEU CA C 52.47 0.05 1 23 . 7 LEU CB C 40.86 0.05 1 24 . 8 ALA H H 6.54 0.02 1 25 . 8 ALA HA H 4.19 0.02 1 26 . 8 ALA HB H 1.64 0.02 1 27 . 8 ALA CA C 48.86 0.05 1 28 . 8 ALA N N 113.22 0.05 1 29 . 9 ASP C C 174.73 0.05 1 30 . 9 ASP CA C 53.60 0.05 1 31 . 9 ASP CB C 40.50 0.05 1 32 . 10 ARG H H 7.77 0.02 1 33 . 10 ARG HA H 5.14 0.02 1 34 . 10 ARG HB2 H 1.52 0.02 1 35 . 10 ARG HB3 H 1.52 0.02 1 36 . 10 ARG HG2 H 1.93 0.02 1 37 . 10 ARG HG3 H 1.93 0.02 1 38 . 10 ARG HD2 H 2.49 0.02 2 39 . 10 ARG HD3 H 2.84 0.02 2 40 . 10 ARG C C 170.35 0.05 1 41 . 10 ARG CA C 52.49 0.05 1 42 . 10 ARG CB C 32.94 0.05 1 43 . 10 ARG N N 120.03 0.05 1 44 . 11 LYS H H 9.29 0.02 1 45 . 11 LYS HA H 5.14 0.02 1 46 . 11 LYS HB2 H 1.49 0.02 2 47 . 11 LYS C C 169.00 0.05 1 48 . 11 LYS CA C 51.78 0.05 1 49 . 11 LYS CB C 34.80 0.05 1 50 . 11 LYS N N 118.43 0.05 1 51 . 12 LEU H H 8.87 0.02 1 52 . 12 LEU HA H 5.20 0.02 1 53 . 12 LEU HD1 H 0.84 0.02 2 54 . 12 LEU HD2 H 0.72 0.02 2 55 . 12 LEU C C 174.14 0.05 1 56 . 12 LEU CA C 50.67 0.05 1 57 . 12 LEU CB C 41.73 0.05 1 58 . 12 LEU N N 121.43 0.05 1 59 . 13 CYS H H 9.11 0.02 1 60 . 13 CYS HA H 5.00 0.02 1 61 . 13 CYS HB2 H 3.30 0.02 2 62 . 13 CYS C C 170.54 0.05 1 63 . 13 CYS N N 119.43 0.05 1 64 . 14 ALA H H 10.34 0.02 1 65 . 14 ALA HB H 1.20 0.02 1 66 . 14 ALA C C 174.35 0.05 1 67 . 14 ALA CA C 51.05 0.05 1 68 . 14 ALA CB C 16.97 0.05 1 69 . 14 ALA N N 124.64 0.05 1 70 . 15 ASP H H 7.64 0.02 1 71 . 15 ASP HB2 H 2.82 0.02 2 72 . 15 ASP HB3 H 2.65 0.02 2 73 . 15 ASP C C 173.26 0.05 1 74 . 15 ASP CA C 49.85 0.05 1 75 . 15 ASP CB C 40.62 0.05 1 76 . 15 ASP N N 113.02 0.05 1 77 . 16 GLN H H 8.92 0.02 1 78 . 16 GLN C C 172.81 0.05 1 79 . 16 GLN CA C 56.56 0.05 1 80 . 16 GLN CB C 26.22 0.05 1 81 . 16 GLN N N 119.23 0.05 1 82 . 17 GLU H H 7.70 0.02 1 83 . 17 GLU HA H 4.29 0.02 1 84 . 17 GLU HB2 H 2.15 0.02 2 85 . 17 GLU HB3 H 1.73 0.02 2 86 . 17 GLU C C 172.66 0.05 1 87 . 17 GLU CA C 53.32 0.05 1 88 . 17 GLU N N 114.82 0.05 1 89 . 18 CYS H H 8.33 0.02 1 90 . 18 CYS HA H 4.69 0.02 1 91 . 18 CYS C C 172.50 0.05 1 92 . 18 CYS N N 121.23 0.05 1 93 . 19 SER H H 10.03 0.02 1 94 . 19 SER HA H 4.32 0.02 1 95 . 19 SER HB2 H 3.78 0.02 2 96 . 19 SER HB3 H 3.52 0.02 2 97 . 19 SER C C 171.80 0.05 1 98 . 19 SER CA C 56.97 0.05 1 99 . 19 SER N N 115.22 0.05 1 100 . 20 HIS H H 8.31 0.02 1 101 . 20 HIS HA H 4.89 0.02 1 102 . 20 HIS HB2 H 2.78 0.02 2 103 . 20 HIS CA C 59.87 0.05 1 104 . 20 HIS N N 124.24 0.05 1 105 . 21 PRO HD2 H 3.25 0.02 2 106 . 21 PRO HD3 H 3.04 0.02 2 107 . 21 PRO C C 173.15 0.05 1 108 . 21 PRO CA C 60.64 0.05 1 109 . 21 PRO CB C 28.28 0.05 1 110 . 22 ILE H H 9.14 0.02 1 111 . 22 ILE HA H 4.41 0.02 1 112 . 22 ILE HG2 H 0.71 0.02 1 113 . 22 ILE HD1 H 0.46 0.02 1 114 . 22 ILE C C 175.19 0.05 1 115 . 22 ILE CA C 59.54 0.05 1 116 . 22 ILE N N 121.83 0.05 1 117 . 23 SER H H 7.57 0.02 1 118 . 23 SER HA H 4.87 0.02 1 119 . 23 SER HB2 H 3.76 0.02 2 120 . 23 SER HB3 H 3.70 0.02 2 121 . 23 SER C C 170.03 0.05 1 122 . 23 SER CA C 53.81 0.05 1 123 . 23 SER CB C 62.99 0.05 1 124 . 23 SER N N 109.62 0.05 1 125 . 24 MET H H 8.51 0.02 1 126 . 24 MET HA H 4.79 0.02 1 127 . 24 MET HB2 H 1.86 0.02 2 128 . 24 MET HB3 H 1.74 0.02 2 129 . 24 MET HG2 H 2.12 0.02 2 130 . 24 MET C C 171.57 0.05 1 131 . 24 MET CA C 52.09 0.05 1 132 . 24 MET CB C 33.02 0.05 1 133 . 24 MET N N 118.23 0.05 1 134 . 25 ALA H H 9.42 0.02 1 135 . 25 ALA HA H 5.27 0.02 1 136 . 25 ALA HB H 1.14 0.02 1 137 . 25 ALA C C 171.61 0.05 1 138 . 25 ALA CA C 47.49 0.05 1 139 . 25 ALA CB C 20.83 0.05 1 140 . 25 ALA N N 129.45 0.05 1 141 . 26 VAL H H 8.40 0.02 1 142 . 26 VAL HA H 4.74 0.02 1 143 . 26 VAL HB H 1.73 0.02 1 144 . 26 VAL HG1 H 0.79 0.02 2 145 . 26 VAL C C 173.15 0.05 1 146 . 26 VAL CA C 57.74 0.05 1 147 . 26 VAL CB C 32.55 0.05 1 148 . 26 VAL N N 119.83 0.05 1 149 . 27 ALA H H 8.78 0.02 1 150 . 27 ALA HA H 4.47 0.02 1 151 . 27 ALA HB H 1.33 0.02 1 152 . 27 ALA C C 176.53 0.05 1 153 . 27 ALA CA C 50.28 0.05 1 154 . 27 ALA CB C 17.15 0.05 1 155 . 27 ALA N N 128.44 0.05 1 156 . 28 LEU H H 9.68 0.02 1 157 . 28 LEU HA H 4.21 0.02 1 158 . 28 LEU HB2 H 1.54 0.02 2 159 . 28 LEU HB3 H 1.33 0.02 2 160 . 28 LEU HD1 H 0.73 0.02 2 161 . 28 LEU HD2 H 0.44 0.02 2 162 . 28 LEU C C 173.76 0.05 1 163 . 28 LEU CA C 52.82 0.05 1 164 . 28 LEU CB C 40.94 0.05 1 165 . 28 LEU N N 127.04 0.05 1 166 . 29 GLN H H 7.39 0.02 1 167 . 29 GLN HA H 4.48 0.02 1 168 . 29 GLN HB2 H 1.82 0.02 2 169 . 29 GLN HG2 H 2.20 0.02 2 170 . 29 GLN C C 169.82 0.05 1 171 . 29 GLN CA C 51.12 0.05 1 172 . 29 GLN CB C 30.86 0.05 1 173 . 29 GLN N N 114.02 0.05 1 174 . 30 ASP H H 8.23 0.02 1 175 . 30 ASP HA H 4.77 0.02 1 176 . 30 ASP HB2 H 2.62 0.02 2 177 . 30 ASP HB3 H 2.52 0.02 2 178 . 30 ASP C C 173.71 0.05 1 179 . 30 ASP CA C 51.92 0.05 1 180 . 30 ASP CB C 39.43 0.05 1 181 . 30 ASP N N 118.43 0.05 1 182 . 31 TYR H H 9.17 0.02 1 183 . 31 TYR HA H 4.55 0.02 1 184 . 31 TYR HB2 H 2.39 0.02 2 185 . 31 TYR HD1 H 7.34 0.02 3 186 . 31 TYR HE1 H 6.88 0.02 3 187 . 31 TYR C C 170.17 0.05 1 188 . 31 TYR CA C 55.91 0.05 1 189 . 31 TYR CB C 40.52 0.05 1 190 . 31 TYR N N 124.50 0.05 1 191 . 32 MET H H 7.92 0.02 1 192 . 32 MET HA H 4.46 0.02 1 193 . 32 MET HB2 H 1.66 0.02 2 194 . 32 MET HG2 H 2.28 0.02 2 195 . 32 MET HG3 H 2.42 0.02 2 196 . 32 MET C C 171.77 0.05 1 197 . 32 MET CA C 50.48 0.05 1 198 . 32 MET CB C 29.86 0.05 1 199 . 32 MET N N 128.24 0.05 1 200 . 33 ALA H H 7.80 0.02 1 201 . 33 ALA HB H 1.25 0.02 1 202 . 33 ALA CA C 48.53 0.05 1 203 . 33 ALA N N 129.85 0.05 1 204 . 34 PRO CA C 61.88 0.05 1 205 . 35 ASP H H 7.37 0.02 1 206 . 35 ASP HA H 4.51 0.02 1 207 . 35 ASP HB2 H 3.06 0.02 2 208 . 35 ASP C C 173.35 0.05 1 209 . 35 ASP CA C 51.07 0.05 1 210 . 35 ASP CB C 39.68 0.05 1 211 . 35 ASP N N 109.82 0.05 1 212 . 36 CYS H H 8.68 0.02 1 213 . 36 CYS HA H 4.71 0.02 1 214 . 36 CYS HB2 H 3.29 0.02 2 215 . 36 CYS HB3 H 2.98 0.02 2 216 . 36 CYS C C 172.03 0.05 1 217 . 36 CYS CA C 56.08 0.05 1 218 . 36 CYS CB C 39.44 0.05 1 219 . 36 CYS N N 116.03 0.05 1 220 . 37 ARG H H 9.28 0.02 1 221 . 37 ARG HA H 4.24 0.02 1 222 . 37 ARG HB2 H 1.89 0.02 2 223 . 37 ARG HB3 H 1.80 0.02 2 224 . 37 ARG HG2 H 1.45 0.02 2 225 . 37 ARG HG3 H 1.60 0.02 2 226 . 37 ARG C C 174.42 0.05 1 227 . 37 ARG CB C 29.89 0.05 1 228 . 37 ARG N N 123.44 0.05 1 229 . 38 PHE H H 8.39 0.02 1 230 . 38 PHE HA H 5.33 0.02 1 231 . 38 PHE HB2 H 3.72 0.02 2 232 . 38 PHE HB3 H 3.07 0.02 2 233 . 38 PHE C C 172.20 0.05 1 234 . 38 PHE CA C 55.01 0.05 1 235 . 38 PHE CB C 39.92 0.05 1 236 . 38 PHE N N 116.63 0.05 1 237 . 39 LEU H H 9.08 0.02 1 238 . 39 LEU HA H 4.59 0.02 1 239 . 39 LEU HB2 H 1.54 0.02 2 240 . 39 LEU HB3 H 1.41 0.02 2 241 . 39 LEU HD1 H 0.86 0.02 2 242 . 39 LEU C C 173.04 0.05 1 243 . 39 LEU CA C 51.45 0.05 1 244 . 39 LEU CB C 42.77 0.05 1 245 . 39 LEU N N 122.84 0.05 1 246 . 40 THR H H 7.74 0.02 1 247 . 40 THR HA H 4.86 0.02 1 248 . 40 THR HB H 3.99 0.02 1 249 . 40 THR HG2 H 1.20 0.02 1 250 . 40 THR C C 172.26 0.05 1 251 . 40 THR CA C 60.64 0.05 1 252 . 40 THR N N 118.83 0.05 1 253 . 41 ILE H H 9.05 0.02 1 254 . 41 ILE HA H 4.35 0.02 1 255 . 41 ILE HB H 1.41 0.02 1 256 . 41 ILE HG12 H 1.20 0.02 2 257 . 41 ILE HG2 H 0.65 0.02 1 258 . 41 ILE HD1 H 0.23 0.02 1 259 . 41 ILE C C 171.54 0.05 1 260 . 41 ILE CA C 57.39 0.05 1 261 . 41 ILE CB C 40.69 0.05 1 262 . 41 ILE N N 128.64 0.05 1 263 . 42 HIS H H 8.59 0.02 1 264 . 42 HIS HA H 5.18 0.02 1 265 . 42 HIS HB2 H 2.78 0.02 2 266 . 42 HIS HB3 H 3.08 0.02 2 267 . 42 HIS C C 172.22 0.05 1 268 . 42 HIS CA C 50.82 0.05 1 269 . 42 HIS CB C 28.79 0.05 1 270 . 42 HIS N N 124.64 0.05 1 271 . 43 ARG H H 8.99 0.02 1 272 . 43 ARG HB2 H 1.64 0.02 2 273 . 43 ARG HG2 H 1.40 0.02 2 274 . 43 ARG HD2 H 3.16 0.02 2 275 . 43 ARG C C 173.39 0.05 1 276 . 43 ARG CA C 56.23 0.05 1 277 . 43 ARG CB C 27.77 0.05 1 278 . 43 ARG N N 123.04 0.05 1 279 . 44 GLY H H 8.75 0.02 1 280 . 44 GLY HA2 H 3.42 0.02 2 281 . 44 GLY HA3 H 4.33 0.02 2 282 . 44 GLY C C 170.81 0.05 1 283 . 44 GLY CA C 42.50 0.05 1 284 . 44 GLY N N 115.42 0.05 1 285 . 45 GLN H H 8.07 0.02 1 286 . 45 GLN C C 171.83 0.05 1 287 . 45 GLN CB C 27.87 0.05 1 288 . 45 GLN N N 121.43 0.05 1 289 . 46 VAL H H 8.33 0.02 1 290 . 46 VAL HA H 4.45 0.02 1 291 . 46 VAL HB H 1.85 0.02 1 292 . 46 VAL HG1 H 0.93 0.02 2 293 . 46 VAL HG2 H 0.66 0.02 2 294 . 46 VAL C C 172.45 0.05 1 295 . 46 VAL CA C 59.87 0.05 1 296 . 46 VAL N N 124.04 0.05 1 297 . 47 VAL H H 8.95 0.02 1 298 . 47 VAL HA H 4.49 0.02 1 299 . 47 VAL HB H 1.48 0.02 1 300 . 47 VAL HG1 H 0.42 0.02 2 301 . 47 VAL C C 172.55 0.05 1 302 . 47 VAL CA C 57.43 0.05 1 303 . 47 VAL CB C 32.94 0.05 1 304 . 47 VAL N N 126.92 0.05 1 305 . 48 TYR H H 9.12 0.02 1 306 . 48 TYR HA H 4.85 0.02 1 307 . 48 TYR HB2 H 3.10 0.02 2 308 . 48 TYR HD1 H 6.83 0.02 3 309 . 48 TYR HE1 H 6.71 0.02 3 310 . 48 TYR C C 172.47 0.05 1 311 . 48 TYR CA C 55.27 0.05 1 312 . 48 TYR CB C 37.35 0.05 1 313 . 48 TYR N N 126.04 0.05 1 314 . 49 VAL H H 8.91 0.02 1 315 . 49 VAL HA H 4.33 0.02 1 316 . 49 VAL HB H 2.44 0.02 1 317 . 49 VAL HG1 H 1.06 0.02 2 318 . 49 VAL HG2 H 0.64 0.02 2 319 . 49 VAL C C 173.33 0.05 1 320 . 49 VAL CA C 60.95 0.05 1 321 . 49 VAL N N 126.44 0.05 1 322 . 50 PHE H H 9.76 0.02 1 323 . 50 PHE HA H 4.43 0.02 1 324 . 50 PHE HB2 H 2.99 0.02 2 325 . 50 PHE HB3 H 2.77 0.02 2 326 . 50 PHE HD1 H 7.05 0.02 3 327 . 50 PHE C C 171.45 0.05 1 328 . 50 PHE CA C 57.96 0.05 1 329 . 50 PHE CB C 39.99 0.05 1 330 . 50 PHE N N 128.24 0.05 1 331 . 51 SER H H 8.51 0.02 1 332 . 51 SER HA H 5.41 0.02 1 333 . 51 SER HB2 H 3.93 0.02 2 334 . 51 SER HB3 H 3.54 0.02 2 335 . 51 SER C C 171.04 0.05 1 336 . 51 SER CA C 53.86 0.05 1 337 . 51 SER CB C 65.00 0.05 1 338 . 51 SER N N 112.62 0.05 1 339 . 52 LYS H H 8.54 0.02 1 340 . 52 LYS C C 173.64 0.05 1 341 . 52 LYS CA C 53.26 0.05 1 342 . 52 LYS CB C 32.19 0.05 1 343 . 52 LYS N N 121.23 0.05 1 344 . 53 LEU H H 8.26 0.02 1 345 . 53 LEU HA H 4.29 0.02 1 346 . 53 LEU HB2 H 1.74 0.02 2 347 . 53 LEU HD1 H 0.83 0.02 2 348 . 53 LEU C C 173.22 0.05 1 349 . 53 LEU CA C 53.88 0.05 1 350 . 53 LEU CB C 37.22 0.05 1 351 . 53 LEU N N 122.64 0.05 1 352 . 54 LYS H H 7.36 0.02 1 353 . 54 LYS HA H 4.71 0.02 1 354 . 54 LYS HB2 H 1.32 0.02 2 355 . 54 LYS C C 176.27 0.05 1 356 . 54 LYS CA C 51.98 0.05 1 357 . 54 LYS CB C 33.26 0.05 1 358 . 54 LYS N N 116.63 0.05 1 359 . 55 GLY H H 9.24 0.02 1 360 . 55 GLY HA2 H 3.93 0.02 2 361 . 55 GLY HA3 H 3.81 0.02 2 362 . 55 GLY CA C 44.66 0.05 1 363 . 55 GLY N N 113.02 0.05 1 364 . 56 ARG C C 174.52 0.05 1 365 . 56 ARG CA C 55.56 0.05 1 366 . 56 ARG CB C 26.51 0.05 1 367 . 57 GLY H H 7.66 0.02 1 368 . 57 GLY HA2 H 3.48 0.02 2 369 . 57 GLY C C 171.00 0.05 1 370 . 57 GLY CA C 43.36 0.05 1 371 . 57 GLY N N 108.01 0.05 1 372 . 58 ARG H H 7.36 0.02 1 373 . 58 ARG HB2 H 2.05 0.02 2 374 . 58 ARG HB3 H 1.92 0.02 2 375 . 58 ARG HG2 H 1.69 0.02 2 376 . 58 ARG C C 173.52 0.05 1 377 . 58 ARG CA C 55.35 0.05 1 378 . 58 ARG CB C 27.32 0.05 1 379 . 58 ARG N N 117.03 0.05 1 380 . 59 LEU H H 7.86 0.02 1 381 . 59 LEU HA H 3.90 0.02 1 382 . 59 LEU HD1 H 0.83 0.02 2 383 . 59 LEU HD2 H 0.63 0.02 2 384 . 59 LEU C C 173.61 0.05 1 385 . 59 LEU CA C 54.09 0.05 1 386 . 59 LEU CB C 39.12 0.05 1 387 . 59 LEU N N 121.83 0.05 1 388 . 60 PHE H H 8.62 0.02 1 389 . 60 PHE HA H 5.10 0.02 1 390 . 60 PHE HB2 H 3.04 0.02 2 391 . 60 PHE HB3 H 2.92 0.02 2 392 . 60 PHE HD1 H 6.96 0.02 3 393 . 60 PHE C C 171.08 0.05 1 394 . 60 PHE CA C 55.08 0.05 1 395 . 60 PHE CB C 39.16 0.05 1 396 . 60 PHE N N 117.63 0.05 1 397 . 61 TRP H H 8.72 0.02 1 398 . 61 TRP HA H 5.25 0.02 1 399 . 61 TRP HB2 H 3.19 0.02 2 400 . 61 TRP HB3 H 2.42 0.02 2 401 . 61 TRP HD1 H 7.50 0.02 1 402 . 61 TRP HE1 H 9.70 0.02 1 403 . 61 TRP HE3 H 7.34 0.02 1 404 . 61 TRP HZ2 H 7.07 0.02 1 405 . 61 TRP HZ3 H 6.67 0.02 1 406 . 61 TRP C C 170.98 0.05 1 407 . 61 TRP CA C 50.01 0.05 1 408 . 61 TRP CB C 31.34 0.05 1 409 . 61 TRP N N 122.44 0.05 1 410 . 61 TRP NE1 N 124.45 0.05 1 411 . 62 GLY H H 9.21 0.02 1 412 . 62 GLY HA2 H 4.63 0.02 2 413 . 62 GLY C C 172.32 0.05 1 414 . 62 GLY CA C 41.68 0.05 1 415 . 62 GLY N N 107.61 0.05 1 416 . 63 GLY H H 9.34 0.02 1 417 . 63 GLY HA2 H 5.05 0.02 2 418 . 63 GLY C C 167.29 0.05 1 419 . 63 GLY CA C 44.99 0.05 1 420 . 63 GLY N N 112.22 0.05 1 421 . 64 SER H H 9.01 0.02 1 422 . 64 SER HA H 5.18 0.02 1 423 . 64 SER HB2 H 3.70 0.02 2 424 . 64 SER HB3 H 3.77 0.02 2 425 . 64 SER C C 171.91 0.05 1 426 . 64 SER CA C 54.19 0.05 1 427 . 64 SER CB C 64.57 0.05 1 428 . 64 SER N N 113.62 0.05 1 429 . 65 VAL H H 8.93 0.02 1 430 . 65 VAL HA H 4.57 0.02 1 431 . 65 VAL HB H 2.17 0.02 1 432 . 65 VAL HG1 H 0.97 0.02 2 433 . 65 VAL C C 172.36 0.05 1 434 . 65 VAL CA C 59.75 0.05 1 435 . 65 VAL N N 122.44 0.05 1 436 . 66 GLN H H 8.72 0.02 1 437 . 66 GLN HA H 4.35 0.02 1 438 . 66 GLN HB2 H 1.83 0.02 2 439 . 66 GLN C C 171.43 0.05 1 440 . 66 GLN CB C 27.62 0.05 1 441 . 66 GLN N N 126.24 0.05 1 442 . 67 GLY H H 8.45 0.02 1 443 . 67 GLY HA2 H 3.91 0.02 2 444 . 67 GLY HA3 H 3.76 0.02 2 445 . 67 GLY CA C 42.95 0.05 1 446 . 67 GLY N N 113.02 0.05 1 447 . 68 ASP H H 8.15 0.02 1 448 . 68 ASP HA H 4.53 0.02 1 449 . 68 ASP HB2 H 2.50 0.02 2 450 . 68 ASP C C 173.04 0.05 1 451 . 68 ASP CA C 51.95 0.05 1 452 . 68 ASP CB C 38.86 0.05 1 453 . 68 ASP N N 121.43 0.05 1 454 . 69 TYR H H 7.87 0.02 1 455 . 69 TYR HA H 4.44 0.02 1 456 . 69 TYR HB2 H 2.79 0.02 2 457 . 69 TYR HD1 H 6.79 0.02 3 458 . 69 TYR C C 173.62 0.05 1 459 . 69 TYR CA C 55.39 0.05 1 460 . 69 TYR CB C 36.58 0.05 1 461 . 69 TYR N N 120.64 0.05 1 462 . 70 TYR H H 8.15 0.02 1 463 . 70 TYR HA H 4.34 0.02 1 464 . 70 TYR HB2 H 2.98 0.02 2 465 . 70 TYR HB3 H 2.80 0.02 2 466 . 70 TYR HD1 H 6.98 0.02 3 467 . 70 TYR C C 173.57 0.05 1 468 . 70 TYR CA C 55.88 0.05 1 469 . 70 TYR CB C 36.08 0.05 1 470 . 70 TYR N N 122.23 0.05 1 471 . 71 GLY H H 7.72 0.02 1 472 . 71 GLY HA2 H 3.84 0.02 2 473 . 71 GLY HA3 H 3.65 0.02 2 474 . 71 GLY CA C 43.17 0.05 1 475 . 71 GLY N N 110.82 0.05 1 476 . 72 ASP CA C 51.87 0.05 1 477 . 72 ASP CB C 38.67 0.05 1 478 . 73 LEU H H 8.05 0.02 1 479 . 73 LEU HA H 4.16 0.02 1 480 . 73 LEU HB2 H 1.53 0.02 2 481 . 73 LEU HD1 H 0.72 0.02 2 482 . 73 LEU CA C 53.49 0.05 1 483 . 73 LEU CB C 39.67 0.05 1 484 . 73 LEU N N 123.44 0.05 1 485 . 74 ALA H H 8.10 0.02 1 486 . 74 ALA HA H 4.04 0.02 1 487 . 74 ALA HB H 1.21 0.02 1 488 . 74 ALA CA C 50.16 0.05 1 489 . 74 ALA N N 124.24 0.05 1 490 . 75 ALA H H 7.82 0.02 1 491 . 75 ALA HA H 4.12 0.02 1 492 . 75 ALA HB H 1.25 0.02 1 493 . 75 ALA C C 174.70 0.05 1 494 . 75 ALA CA C 50.18 0.05 1 495 . 75 ALA CB C 16.92 0.05 1 496 . 75 ALA N N 123.24 0.05 1 497 . 76 ARG H H 7.85 0.02 1 498 . 76 ARG HA H 4.28 0.02 1 499 . 76 ARG HB2 H 1.72 0.02 2 500 . 76 ARG HG2 H 1.52 0.02 2 501 . 76 ARG HD2 H 3.12 0.02 2 502 . 76 ARG CA C 53.29 0.05 1 503 . 76 ARG N N 120.44 0.05 1 504 . 77 LEU H H 8.08 0.02 1 505 . 77 LEU HA H 4.67 0.02 1 506 . 77 LEU HB2 H 1.27 0.02 2 507 . 77 LEU HD1 H 0.48 0.02 2 508 . 77 LEU HD2 H 0.29 0.02 2 509 . 77 LEU C C 174.65 0.05 1 510 . 77 LEU CA C 51.89 0.05 1 511 . 77 LEU CB C 40.93 0.05 1 512 . 77 LEU N N 126.44 0.05 1 513 . 78 GLY H H 8.78 0.02 1 514 . 78 GLY HA2 H 4.13 0.02 2 515 . 78 GLY HA3 H 3.66 0.02 2 516 . 78 GLY CA C 42.45 0.05 1 517 . 78 GLY N N 110.82 0.05 1 518 . 79 TYR H H 8.41 0.02 1 519 . 79 TYR HA H 5.75 0.02 1 520 . 79 TYR HB2 H 2.63 0.02 2 521 . 79 TYR HD1 H 6.87 0.02 3 522 . 79 TYR C C 173.38 0.05 1 523 . 79 TYR CA C 55.93 0.05 1 524 . 79 TYR CB C 38.90 0.05 1 525 . 79 TYR N N 118.32 0.05 1 526 . 80 PHE H H 8.80 0.02 1 527 . 80 PHE HA H 5.18 0.02 1 528 . 80 PHE HB2 H 2.45 0.02 2 529 . 80 PHE HB3 H 2.62 0.02 2 530 . 80 PHE CA C 53.00 0.05 1 531 . 80 PHE N N 115.22 0.05 1 532 . 81 PRO HD2 H 3.43 0.02 2 533 . 81 PRO HD3 H 3.38 0.02 2 534 . 81 PRO C C 175.21 0.05 1 535 . 81 PRO CA C 59.74 0.05 1 536 . 81 PRO CB C 28.53 0.05 1 537 . 82 SER H H 8.63 0.02 1 538 . 82 SER HA H 5.10 0.02 1 539 . 82 SER HB2 H 2.82 0.02 2 540 . 82 SER C C 172.91 0.05 1 541 . 82 SER CA C 58.25 0.05 1 542 . 82 SER N N 123.64 0.05 1 543 . 83 SER H H 7.61 0.02 1 544 . 83 SER HA H 3.96 0.02 1 545 . 83 SER HB2 H 3.82 0.02 2 546 . 83 SER HB3 H 3.65 0.02 2 547 . 83 SER C C 173.35 0.05 1 548 . 83 SER CA C 57.27 0.05 1 549 . 83 SER CB C 60.27 0.05 1 550 . 83 SER N N 114.02 0.05 1 551 . 84 ILE H H 7.22 0.02 1 552 . 84 ILE HA H 4.27 0.02 1 553 . 84 ILE HB H 2.08 0.02 1 554 . 84 ILE HG12 H 1.14 0.02 2 555 . 84 ILE HG2 H 0.62 0.02 1 556 . 84 ILE HD1 H 0.45 0.02 1 557 . 84 ILE C C 172.27 0.05 1 558 . 84 ILE CA C 58.90 0.05 1 559 . 84 ILE CB C 35.56 0.05 1 560 . 84 ILE N N 115.42 0.05 1 561 . 85 VAL H H 7.47 0.02 1 562 . 85 VAL HA H 5.28 0.02 1 563 . 85 VAL HB H 1.57 0.02 1 564 . 85 VAL HG1 H 0.79 0.02 2 565 . 85 VAL C C 171.12 0.05 1 566 . 85 VAL CA C 55.59 0.05 1 567 . 85 VAL CB C 33.08 0.05 1 568 . 85 VAL N N 111.62 0.05 1 569 . 86 ARG H H 8.57 0.02 1 570 . 86 ARG HA H 4.70 0.02 1 571 . 86 ARG HB2 H 1.77 0.02 2 572 . 86 ARG C C 173.76 0.05 1 573 . 86 ARG CA C 51.64 0.05 1 574 . 86 ARG CB C 30.85 0.05 1 575 . 86 ARG N N 121.02 0.05 1 576 . 87 GLU H H 9.27 0.02 1 577 . 87 GLU HA H 4.13 0.02 1 578 . 87 GLU HB2 H 2.06 0.02 2 579 . 87 GLU HG2 H 2.42 0.02 2 580 . 87 GLU C C 172.24 0.05 1 581 . 87 GLU CA C 55.71 0.05 1 582 . 87 GLU CB C 28.39 0.05 1 583 . 87 GLU N N 128.24 0.05 1 584 . 88 ASP H H 8.90 0.02 1 585 . 88 ASP HA H 4.88 0.02 1 586 . 88 ASP HB2 H 2.57 0.02 2 587 . 88 ASP HB3 H 2.35 0.02 2 588 . 88 ASP C C 173.44 0.05 1 589 . 88 ASP CA C 52.76 0.05 1 590 . 88 ASP CB C 41.24 0.05 1 591 . 88 ASP N N 129.05 0.05 1 592 . 89 GLN H H 7.62 0.02 1 593 . 89 GLN HA H 4.49 0.02 1 594 . 89 GLN HB2 H 1.86 0.02 2 595 . 89 GLN HG2 H 2.12 0.02 2 596 . 89 GLN HG3 H 2.20 0.02 2 597 . 89 GLN C C 172.31 0.05 1 598 . 89 GLN CA C 52.88 0.05 1 599 . 89 GLN CB C 29.42 0.05 1 600 . 89 GLN N N 117.83 0.05 1 601 . 90 THR H H 8.93 0.02 1 602 . 90 THR HA H 4.71 0.02 1 603 . 90 THR HB H 3.97 0.02 1 604 . 90 THR HG2 H 0.97 0.02 1 605 . 90 THR C C 171.06 0.05 1 606 . 90 THR CA C 61.04 0.05 1 607 . 90 THR CB C 66.37 0.05 1 608 . 90 THR N N 123.64 0.05 1 609 . 91 LEU H H 9.07 0.02 1 610 . 91 LEU HA H 4.33 0.02 1 611 . 91 LEU HB2 H 1.42 0.02 2 612 . 91 LEU HD1 H 0.72 0.02 2 613 . 91 LEU CA C 55.65 0.05 1 614 . 91 LEU CB C 39.43 0.05 1 615 . 91 LEU N N 130.85 0.05 1 616 . 92 LYS H H 8.08 0.02 1 617 . 92 LYS HA H 4.52 0.02 1 618 . 92 LYS HB2 H 1.73 0.02 2 619 . 92 LYS CA C 51.51 0.05 1 620 . 92 LYS N N 122.84 0.05 1 621 . 93 PRO HD2 H 3.53 0.02 2 622 . 93 PRO HD3 H 3.63 0.02 2 623 . 93 PRO C C 175.09 0.05 1 624 . 93 PRO CA C 60.59 0.05 1 625 . 93 PRO CB C 29.91 0.05 1 626 . 94 GLY H H 8.47 0.02 1 627 . 94 GLY HA2 H 3.71 0.02 2 628 . 94 GLY HA3 H 2.99 0.02 2 629 . 94 GLY C C 170.79 0.05 1 630 . 94 GLY CA C 44.27 0.05 1 631 . 94 GLY N N 110.62 0.05 1 632 . 95 LYS H H 7.44 0.02 1 633 . 95 LYS HA H 4.49 0.02 1 634 . 95 LYS HB2 H 1.74 0.02 2 635 . 95 LYS HB3 H 1.67 0.02 2 636 . 95 LYS HG2 H 1.21 0.02 2 637 . 95 LYS C C 171.39 0.05 1 638 . 95 LYS CA C 53.27 0.05 1 639 . 95 LYS CB C 32.44 0.05 1 640 . 95 LYS N N 122.03 0.05 1 641 . 96 VAL H H 8.54 0.02 1 642 . 96 VAL HA H 3.98 0.02 1 643 . 96 VAL HB H 1.55 0.02 1 644 . 96 VAL HG1 H 0.65 0.02 2 645 . 96 VAL C C 170.92 0.05 1 646 . 96 VAL CA C 60.27 0.05 1 647 . 96 VAL N N 124.04 0.05 1 648 . 97 ASP H H 8.29 0.02 1 649 . 97 ASP HA H 4.98 0.02 1 650 . 97 ASP HB2 H 2.69 0.02 2 651 . 97 ASP HB3 H 2.31 0.02 2 652 . 97 ASP CA C 51.21 0.05 1 653 . 97 ASP CB C 40.71 0.05 1 654 . 97 ASP N N 130.05 0.05 1 655 . 98 VAL H H 9.22 0.02 1 656 . 98 VAL HA H 4.35 0.02 1 657 . 98 VAL HB H 1.82 0.02 1 658 . 98 VAL HG1 H 1.00 0.02 2 659 . 98 VAL HG2 H 0.84 0.02 2 660 . 98 VAL C C 172.45 0.05 1 661 . 98 VAL CA C 58.13 0.05 1 662 . 98 VAL CB C 33.48 0.05 1 663 . 98 VAL N N 126.84 0.05 1 664 . 99 LYS H H 8.47 0.02 1 665 . 99 LYS HA H 4.55 0.02 1 666 . 99 LYS HB2 H 1.81 0.02 2 667 . 99 LYS HB3 H 1.57 0.02 2 668 . 99 LYS C C 175.47 0.05 1 669 . 99 LYS CA C 54.69 0.05 1 670 . 99 LYS CB C 30.61 0.05 1 671 . 99 LYS N N 125.64 0.05 1 672 . 100 THR H H 7.82 0.02 1 673 . 100 THR HA H 4.47 0.02 1 674 . 100 THR HG2 H 0.88 0.02 1 675 . 100 THR CA C 57.73 0.05 1 676 . 100 THR CB C 68.16 0.05 1 677 . 100 THR N N 113.82 0.05 1 678 . 101 ASP H H 8.96 0.02 1 679 . 101 ASP HA H 4.60 0.02 1 680 . 101 ASP CA C 49.84 0.05 1 681 . 101 ASP N N 122.75 0.05 1 682 . 102 LYS C C 175.65 0.05 1 683 . 102 LYS CA C 56.30 0.05 1 684 . 102 LYS CB C 29.09 0.05 1 685 . 103 TRP H H 7.59 0.02 1 686 . 103 TRP HA H 4.28 0.02 1 687 . 103 TRP HB2 H 3.23 0.02 2 688 . 103 TRP HB3 H 3.08 0.02 2 689 . 103 TRP HD1 H 7.10 0.02 1 690 . 103 TRP HE1 H 9.98 0.02 1 691 . 103 TRP HE3 H 7.04 0.02 1 692 . 103 TRP HZ2 H 7.32 0.02 1 693 . 103 TRP HH2 H 6.94 0.02 1 694 . 103 TRP CA C 55.40 0.05 1 695 . 103 TRP CB C 25.79 0.05 1 696 . 103 TRP N N 120.24 0.05 1 697 . 103 TRP NE1 N 129.85 0.05 1 698 . 104 ASP H H 7.70 0.02 1 699 . 104 ASP HA H 4.25 0.02 1 700 . 104 ASP HB2 H 2.40 0.02 2 701 . 104 ASP CA C 54.58 0.05 1 702 . 104 ASP N N 119.43 0.05 1 703 . 105 PHE H H 7.47 0.02 1 704 . 105 PHE HA H 4.88 0.02 1 705 . 105 PHE CA C 53.43 0.05 1 706 . 105 PHE CB C 37.53 0.05 1 707 . 105 PHE N N 117.23 0.05 1 708 . 106 TYR H H 7.43 0.02 1 709 . 106 TYR HA H 4.41 0.02 1 710 . 106 TYR HB2 H 2.99 0.02 2 711 . 106 TYR HB3 H 2.94 0.02 2 712 . 106 TYR HD1 H 6.72 0.02 3 713 . 106 TYR HD2 H 6.62 0.02 3 714 . 106 TYR CA C 55.19 0.05 1 715 . 106 TYR CB C 38.13 0.05 1 716 . 106 TYR N N 122.16 0.05 1 717 . 107 CYS H H 8.25 0.02 1 718 . 107 CYS HA H 4.71 0.02 1 719 . 107 CYS HB2 H 3.26 0.02 2 720 . 107 CYS C C 169.96 0.05 1 721 . 107 CYS CA C 52.55 0.05 1 722 . 107 CYS CB C 40.06 0.05 1 723 . 107 CYS N N 125.84 0.05 1 724 . 108 GLN H H 8.37 0.02 1 725 . 108 GLN HA H 4.19 0.02 1 726 . 108 GLN HB2 H 2.16 0.02 2 727 . 108 GLN HB3 H 1.95 0.02 2 728 . 108 GLN HG2 H 2.38 0.02 2 729 . 108 GLN CA C 55.35 0.05 1 730 . 108 GLN N N 129.45 0.05 1 stop_ save_