data_19069 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,13C,15N Assignement of EFGP fluorescent protein ; _BMRB_accession_number 19069 _BMRB_flat_file_name bmr19069.str _Entry_type original _Submission_date 2013-03-01 _Accession_date 2013-03-01 _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 Juranic Nenad O. . 2 Atanasova Elena . . 3 Prendergast Franklyn G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1407 "13C chemical shifts" 1036 "15N chemical shifts" 245 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-04-02 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15826 'five mutations' 5514 'eight mutations' 5666 'six mutations' stop_ _Original_release_date 2013-04-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR signature of HBDI chromophore in folded EFGP' _Citation_status 'in preparation' _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 Juranic Nenad O. . 2 Atanasova Elena . . 3 Prendergast Franklyn G. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword chromophore EFGP NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name EFGP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EFGP $EFGP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_EFGP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EFGP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 241 _Mol_residue_sequence ; GHMVSKGEELFTGVVPILVE LDGDVNGHKFSVSGEGEGDA TYGKLTLKFICTTGKLPVPW PTLVTTLXXXVQCFSRYPDH MKQHDFFKSAMPEGYVQERT IFFKDDGNYKTRAEVKFEGD TLVNRIELKGIDFKEDGNIL GHKLEYNYNSHNVYIMADKQ KNGIKVNFKIRHNIEDGSVQ LADHYQQNTPIGDGPVLLPD NHYLSTQSALSKDPNEKRDH MVLLEFVTAAGITLGMDELY K ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 HIS 3 0 MET 4 1 VAL 5 2 SER 6 3 LYS 7 4 GLY 8 5 GLU 9 6 GLU 10 7 LEU 11 8 PHE 12 9 THR 13 10 GLY 14 11 VAL 15 12 VAL 16 13 PRO 17 14 ILE 18 15 LEU 19 16 VAL 20 17 GLU 21 18 LEU 22 19 ASP 23 20 GLY 24 21 ASP 25 22 VAL 26 23 ASN 27 24 GLY 28 25 HIS 29 26 LYS 30 27 PHE 31 28 SER 32 29 VAL 33 30 SER 34 31 GLY 35 32 GLU 36 33 GLY 37 34 GLU 38 35 GLY 39 36 ASP 40 37 ALA 41 38 THR 42 39 TYR 43 40 GLY 44 41 LYS 45 42 LEU 46 43 THR 47 44 LEU 48 45 LYS 49 46 PHE 50 47 ILE 51 48 CYS 52 49 THR 53 50 THR 54 51 GLY 55 52 LYS 56 53 LEU 57 54 PRO 58 55 VAL 59 56 PRO 60 57 TRP 61 58 PRO 62 59 THR 63 60 LEU 64 61 VAL 65 62 THR 66 63 THR 67 64 LEU 68 65 CRO 69 66 CRO 70 67 CRO 71 68 VAL 72 69 GLN 73 70 CYS 74 71 PHE 75 72 SER 76 73 ARG 77 74 TYR 78 75 PRO 79 76 ASP 80 77 HIS 81 78 MET 82 79 LYS 83 80 GLN 84 81 HIS 85 82 ASP 86 83 PHE 87 84 PHE 88 85 LYS 89 86 SER 90 87 ALA 91 88 MET 92 89 PRO 93 90 GLU 94 91 GLY 95 92 TYR 96 93 VAL 97 94 GLN 98 95 GLU 99 96 ARG 100 97 THR 101 98 ILE 102 99 PHE 103 100 PHE 104 101 LYS 105 102 ASP 106 103 ASP 107 104 GLY 108 105 ASN 109 106 TYR 110 107 LYS 111 108 THR 112 109 ARG 113 110 ALA 114 111 GLU 115 112 VAL 116 113 LYS 117 114 PHE 118 115 GLU 119 116 GLY 120 117 ASP 121 118 THR 122 119 LEU 123 120 VAL 124 121 ASN 125 122 ARG 126 123 ILE 127 124 GLU 128 125 LEU 129 126 LYS 130 127 GLY 131 128 ILE 132 129 ASP 133 130 PHE 134 131 LYS 135 132 GLU 136 133 ASP 137 134 GLY 138 135 ASN 139 136 ILE 140 137 LEU 141 138 GLY 142 139 HIS 143 140 LYS 144 141 LEU 145 142 GLU 146 143 TYR 147 144 ASN 148 145 TYR 149 146 ASN 150 147 SER 151 148 HIS 152 149 ASN 153 150 VAL 154 151 TYR 155 152 ILE 156 153 MET 157 154 ALA 158 155 ASP 159 156 LYS 160 157 GLN 161 158 LYS 162 159 ASN 163 160 GLY 164 161 ILE 165 162 LYS 166 163 VAL 167 164 ASN 168 165 PHE 169 166 LYS 170 167 ILE 171 168 ARG 172 169 HIS 173 170 ASN 174 171 ILE 175 172 GLU 176 173 ASP 177 174 GLY 178 175 SER 179 176 VAL 180 177 GLN 181 178 LEU 182 179 ALA 183 180 ASP 184 181 HIS 185 182 TYR 186 183 GLN 187 184 GLN 188 185 ASN 189 186 THR 190 187 PRO 191 188 ILE 192 189 GLY 193 190 ASP 194 191 GLY 195 192 PRO 196 193 VAL 197 194 LEU 198 195 LEU 199 196 PRO 200 197 ASP 201 198 ASN 202 199 HIS 203 200 TYR 204 201 LEU 205 202 SER 206 203 THR 207 204 GLN 208 205 SER 209 206 ALA 210 207 LEU 211 208 SER 212 209 LYS 213 210 ASP 214 211 PRO 215 212 ASN 216 213 GLU 217 214 LYS 218 215 ARG 219 216 ASP 220 217 HIS 221 218 MET 222 219 VAL 223 220 LEU 224 221 LEU 225 222 GLU 226 223 PHE 227 224 VAL 228 225 THR 229 226 ALA 230 227 ALA 231 228 GLY 232 229 ILE 233 230 THR 234 231 LEU 235 232 GLY 236 233 MET 237 234 ASP 238 235 GLU 239 236 LEU 240 237 TYR 241 238 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 1BFP "Blue Variant Of Green Fluorescent Protein" 98.76 236 97.06 98.32 2.57e-166 PDB 1C4F "Green Fluorescent Protein S65t At Ph 4.6" 98.76 236 97.48 98.32 6.76e-167 PDB 1EMB "Green Fluorescent Protein (Gfp) From Aequorea Victoria, Gln 80 Replaced With Arg" 98.76 236 97.48 98.32 6.76e-167 PDB 1EMC "Green Fluorescent Protein From Aequorea Victoria, Mutant" 98.76 237 97.48 97.90 4.10e-167 PDB 1EME "Green Fluorescent Protein From Aequorea Victoria, Mutant" 98.76 237 97.48 97.90 4.10e-167 PDB 1EMF "Green Fluorescent Protein From Aequorea Victoria, Mutant" 99.17 237 97.49 97.91 4.17e-168 PDB 1EMG "Green Fluorescent Protein (65-67 Replaced By Cro, S65t Substitution, Q80r)" 98.76 236 97.48 98.32 6.76e-167 PDB 1EMK "Green Fluorescent Protein From Aequorea Victoria, Mutant" 98.76 237 97.48 97.90 4.10e-167 PDB 1EML "Green Fluorescent Protein From Aequorea Victoria, Mutant" 98.76 237 97.48 97.90 4.10e-167 PDB 1EMM "Green Fluorescent Protein From Aequorea Victoria, Mutant" 99.17 237 97.91 98.33 2.28e-168 PDB 1GFL "Structure Of Green Fluorescent Protein" 98.76 238 97.06 97.48 1.56e-168 PDB 1HCJ "Photoproduct Of The Wild-type Aequorea Victoria Green Fluorescent Protein" 98.76 236 97.06 97.90 5.77e-166 PDB 1OXD 'Expansion Of The Genetic Code Enables Design Of A Novel "gold" Class Of Green Fluorescent Proteins' 95.02 227 96.94 97.82 3.64e-159 PDB 1OXE 'Expansion Of The Genetic Code Enables Design Of A Novel "gold" Class Of Green Fluorescent Proteins' 95.02 227 96.94 97.82 3.64e-159 PDB 1OXF 'Expansion Of The Genetic Code Enables Design Of A Novel "gold" Class Of Green Fluorescent Proteins' 94.19 225 97.36 97.36 4.76e-157 PDB 1Q4A "S65t Q80r Green Fluorescent Protein (Gfp) Ph 8.5" 98.76 236 97.48 98.32 6.76e-167 PDB 1Q4B "S65t Q80r Green Fluorescent Protein (Gfp) Ph 5.5" 98.76 236 97.48 98.32 6.76e-167 PDB 1Q4C "S65t Q80r T203c Green Fluorescent Protein (Gfp) Ph 8.5" 98.76 236 97.06 97.90 6.65e-166 PDB 1Q4D "S65t Q80r T203c Green Fluorescent Protein (Gfp) Ph 5.5" 98.76 236 97.06 97.90 6.65e-166 PDB 1Q4E "S65t Q80r Y145c Green Fluorescent Protein (Gfp) Ph 8.5" 98.76 236 97.06 97.90 1.34e-165 PDB 1QYF "Crystal Structure Of Matured Green Fluorescent Protein R96a Variant" 95.44 228 96.96 96.96 5.82e-160 PDB 1QYQ "Crystal Structure Of The Cyclized S65g Y66g Gfp Variant" 99.17 237 97.07 97.07 1.84e-166 PDB 1RM9 "Probing The Role Of Tryptophans In Aequorea Victoria Green Fluorescent Proteins With An Expanded Genetic Code" 98.76 236 97.06 97.48 1.19e-164 PDB 1RMM "Probing The Role Of Tryptophans In Aequorea Victoria Green Fluorescent Proteins With An Expanded Genetic Code" 94.61 226 98.68 98.68 1.25e-160 PDB 1RMO "Probing The Role Of Tryptophans In Aequorea Victoria Green Fluorescent Proteins With An Expanded Genetic Code" 98.76 236 98.74 98.74 3.72e-168 PDB 1RMP "Probing The Role Of Tryptophans In Aequorea Victoria Green Fluorescent Proteins With An Expanded Genetic Code" 94.61 226 98.68 98.68 1.25e-160 PDB 1S6Z "Enhanced Green Fluorescent Protein Containing The Y66l Substitution" 98.76 236 97.90 98.74 1.94e-167 PDB 1W7S "Wild-type Aequorea Victoria Green Fluorescent Protein" 98.76 236 97.48 98.32 6.76e-167 PDB 1W7T "Photoproduct Of The Wild-type Aequorea Victoria Green Fluorescent Protein At 100 K" 98.76 236 97.06 97.90 5.77e-166 PDB 1W7U "Photoproduct Of The Wild-type Aequorea Victoria Green Fluorescent Protein After Structural Annealing At 170k" 98.76 236 97.06 97.90 5.77e-166 PDB 1YFP "Structure Of Yellow-Emission Variant Of Gfp" 94.19 225 96.92 98.24 3.48e-158 PDB 1Z1P "Y66l Variant Of Enhanced Green Fluorescent Protein With 412- Nm Absorbing Chromophore" 98.76 236 97.90 98.74 1.94e-167 PDB 1Z1Q "Y66l Variant Of Enhanced Green Fluorescent Protein With 374- Nm Absorbing Chromophore" 98.76 236 97.90 98.74 1.94e-167 PDB 2AWK "Gfp R96m Mature Chromophore" 95.44 228 96.96 96.96 1.15e-159 PDB 2AWL "Mature R96k Gfp Mutant" 95.44 228 96.96 97.39 2.48e-160 PDB 2DUE "Crystal Structure Of A Green Fluorescent Protein Variant S65tH148D AT PH 10" 98.76 236 97.06 97.90 1.70e-165 PDB 2DUF "Crystal Structure Of A Green Fluorescent Protein Variant S65tH148D AT PH 5.6" 98.76 236 97.06 97.90 1.70e-165 PDB 2DUG "Crystal Structure Of A Green Fluorescent Protein S65tH148N At Ph 5" 98.76 236 97.06 98.32 9.76e-166 PDB 2DUH "Crystal Structure Of A Green Fluorescent Protein Variant S65tH148N AT PH 9.5" 98.76 236 97.06 98.32 9.76e-166 PDB 2DUI "Crystal Structure Of A Green Fluorescent Protein Variant H148d At Ph 9" 98.76 236 97.06 97.90 1.70e-165 PDB 2EMD "Green Fluorescent Protein From Aequorea Victoria, Mutant" 99.17 237 97.91 98.33 2.28e-168 PDB 2EMN "Green Fluorescent Protein From Aequorea Victoria, Mutant" 99.17 237 97.91 98.33 2.28e-168 PDB 2EMO "Green Fluorescent Protein From Aequorea Victoria, Mutant" 99.17 237 97.49 97.91 4.17e-168 PDB 2FZU "Reduced Enolate Chromophore Intermediate For Gfp Variant" 99.17 237 97.07 97.07 1.84e-166 PDB 2G16 "Structure Of S65a Y66s Gfp Variant After Backbone Fragmentation" 70.95 172 97.66 97.66 3.48e-118 PDB 2G2S "Structure Of S65g Y66s Gfp Variant After Spontaneous Peptide Hydrolysis" 70.95 173 97.66 97.66 4.63e-118 PDB 2G3D "Structure Of S65g Y66a Gfp Variant After Spontaneous Peptide Hydrolysis" 70.95 173 97.66 97.66 3.23e-118 PDB 2G5Z "Structure Of S65g Y66s Gfp Variant After Spontaneous Peptide Hydrolysis And Decarboxylation" 70.95 173 97.66 97.66 4.63e-118 PDB 2G6E "Structure Of Cyclized F64l S65a Y66s Gfp Variant" 99.17 237 97.07 97.07 1.84e-166 PDB 2H6V "Spectroscopic And Structural Study Of The Heterotropic Linkage Between Halide And Proton Ion Binding To Gfp Proteins- E2(Gfp) A" 98.76 242 98.74 98.74 1.95e-168 PDB 2H9W "Green Fluorescent Protein Ground States: The Influence Of A Second Protonation Site Near The Chromophore" 98.34 238 98.31 98.31 3.18e-166 PDB 2HCG "Structure Of S65t Y66f Gfp Variant After Cyclization, Carbon-Carbon Bond Cleavage, And Oxygen Incorporation Reactions" 99.17 237 97.07 97.07 1.84e-166 PDB 2HJO "Crystal Structure Of V224h Design Intermediate For Gfp Metal Ion Reporter" 98.76 236 97.90 98.32 7.38e-167 PDB 2HQZ "Crystal Structure Of L42h Design Intermediate For Gfp Metal Ion Reporter" 98.76 236 97.90 98.32 6.69e-167 PDB 2O24 "Spectroscopic And Structural Study Of The Heterotropic Linkage Between Halide And Proton Ion Binding To Gfp Proteins: E2(Gfp)-C" 98.76 242 98.74 98.74 1.95e-168 PDB 2O29 "Spectroscopic And Structural Study Of The Heterotropic Linkage Between Halide And Proton Ion Binding To Gfp Proteins: E2(Gfp)-B" 98.76 242 98.74 98.74 1.95e-168 PDB 2O2B "Spectroscopic And Structural Study Of The Heterotropic Linkage Between Halide And Proton Ion Binding To Gfp Proteins: E2(Gfp)-I" 98.76 242 98.74 98.74 1.95e-168 PDB 2OKW "A Non-Invasive Gfp-Based Biosensor For Mercury Ions" 98.76 236 97.90 98.32 2.70e-167 PDB 2OKY "A Non-Invasive Gfp-Based Biosensor For Mercury Ions" 98.76 236 97.90 98.32 2.70e-167 PDB 2QLE "GfpS205V MUTANT" 98.76 236 97.06 97.90 6.37e-166 PDB 2QRF "Green Fluorescent Protein: Cyclized-Only Intermediate Of Chromophore Maturation In The Q183e Variant" 95.44 228 96.96 97.83 3.92e-160 PDB 2QZ0 "Mature Q183e Variant Of Green Fluorescent Protein Chromophore" 95.44 228 96.96 97.39 2.27e-160 PDB 2WSN "Structure Of Enhanced Cyan Fluorescent Protein At Physiological Ph" 99.17 237 97.91 97.91 5.42e-168 PDB 2WUR "Atomic Resolution Structure Of Gfp Measured On A Rotating Anode" 98.34 236 97.47 98.31 4.20e-166 PDB 2Y0G "X-Ray Structure Of Enhanced Green Fluorescent Protein (Egfp)" 99.17 250 98.74 99.16 5.97e-170 PDB 3AI4 "Crystal Structure Of Yeast Enhanced Green Fluorescent Protein - Mouse Polymerase Iota Ubiquitin Binding Motif Fusion Protein" 96.68 283 97.00 97.85 2.62e-162 PDB 3DPW "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1 Atmosphere Number 1: Structure 1 In A Series Of 26 High Pressur" 99.17 241 97.07 97.91 7.02e-167 PDB 3DPX "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 5000 Atmospheres: Structure 26 In A Series Of 26 High Pressure St" 99.17 241 97.07 97.91 7.02e-167 PDB 3DPZ "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 4000 Atmospheres Number 3: Structure 25 In A Series Of 26 High Pr" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQ1 "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 4000 Atmospheres Number 2: Structure 24 In A Series Of 26 High Pr" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQ2 "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 4000 Atmospheres Number 1: Structure 23 In A Series Of 26 High Pr" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQ3 "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 2500 Atmospheres: Structure 22 In A Series Of 26 High Pressure St" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQ4 "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 2000 Atmospheres Number 2: Structure 20 In A Series Of 26 High Pr" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQ5 "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1960 Atmospheres: Structure 19 In A Series Of 26 High Pressure St" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQ6 "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1920 Atmospheres Number 2: Structure 18 In A Series Of 26 High Pr" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQ7 "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1920 Atmospheres Number 1: Structure 17 In A Series Of 26 High Pr" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQ8 "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1500 Atmospheres Number 2: Structure 16 In A Series Of 26 High Pr" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQ9 "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1500 Atmospheres Number 1: Structure 15 In A Series Of 26 High Pr" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQA "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1250 Atmospheres Number 4: Structure 14 In A Series Of 26 High Pr" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQC "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1250 Atmospheres Number 3: Structure 13 In A Series Of 26 High Pr" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQD "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1250 Atmospheres Number 2: Structure 12 In A Series Of 26 High Pr" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQE "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1250 Atmospheres Number 1: Structure 11 In A Series Of 26 High Pr" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQF "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1000 Atmospheres Number 6: Structure 10 In A Series Of 26 High Pr" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQH "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1000 Atmospheres Number 5: Structure 9 In A Series Of 26 High Pre" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQI "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1000 Atmospheres Number 4: Structure 8 In A Series Of 26 High Pre" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQJ "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1000 Atmospheres Number 3: Structure 7 In A Series Of 26 High Pre" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQK "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1000 Atmospheres Number 2: Structure 6 In A Series Of 26 High Pre" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQL "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1000 Atmospheres Number 1: Structure 5 In A Series Of 26 High Pre" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQM "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 750 Atmospheres: Structure 4 In A Series Of 26 High Pressure Stru" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQN "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 500 Atmospheres: Structure 3 In A Series Of 26 High Pressure Stru" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQO "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 1 Atmosphere Number 2: Structure 2 In A Series Of 26 High Pressur" 99.17 241 97.07 97.91 7.02e-167 PDB 3DQU "Structure Of The Yellow Fluorescent Protein Citrine Frozen At 2000 Atmospheres Number 1: Structure 20 In A Series Of 26 High Pr" 99.17 241 97.07 97.91 7.02e-167 PDB 3OGO "Structure Of The Gfp:gfp-Nanobody Complex At 2.8 A Resolution In Spacegroup P21212" 98.76 247 99.16 99.16 7.27e-170 PDB 3SRY "Engineered High-Affinity Halide-Binding Protein Derived From Yfp: Halide-Free" 99.17 258 97.07 97.91 1.23e-166 PDB 3SS0 "Engineered High-Affinity Halide-Binding Protein Derived From Yfp: Fluoride Complex" 99.17 258 97.07 97.91 1.23e-166 PDB 3SSH "Engineered High-Affinity Halide-Binding Protein Derived From Yfp: Chloride Complex" 99.17 258 97.07 97.91 1.23e-166 PDB 3SSK "Engineered High-Affinity Halide-Binding Protein Derived From Yfp: Bromide Complex" 99.17 258 97.07 97.91 1.23e-166 PDB 3SSL "Engineered High-Affinity Halide-Binding Protein Derived From Yfp: Iodide Complex" 99.17 258 97.07 97.91 1.23e-166 PDB 3SSP "Engineered Low-Affinity Halide-Binding Protein Derived From Yfp: Halide-Free" 99.17 258 97.49 98.33 1.21e-167 PDB 3SST "Engineered Low-Affinity Halide-Binding Protein Derived From Yfp: Chloride Complex" 99.17 258 97.49 98.33 1.21e-167 PDB 3SSV "Engineered Low-Affinity Halide-Binding Protein Derived From Yfp: Fluoride Complex" 99.17 258 97.49 98.33 1.21e-167 PDB 3SSY "Engineered Low-Affinity Halide-Binding Protein Derived From Yfp: Iodide Complex" 99.17 258 97.49 98.33 1.21e-167 PDB 3SVE "Engineered Low-Affinity Halide-Binding Protein Derived From Yfp: Bromide Complex" 99.17 258 97.49 98.33 1.21e-167 PDB 3V3D "Crystal Structure Of An Eyfp Single Mutant" 99.59 257 97.50 98.33 9.30e-169 PDB 3VHT "Crystal Structure Of Gfp-Wrnip1 Ubz Domain Fusion Protein In Complex With Ubiquitin" 96.68 233 97.00 97.85 1.36e-162 PDB 3W1C "Structure Of A Pressure Sensitive Yfp Variant Yfp-g1" 99.17 237 97.07 97.91 2.51e-165 PDB 4ANJ "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)" 98.76 1052 97.06 97.90 1.50e-157 PDB 4BDU "Bax Bh3-in-groove Dimer (gfp)" 96.68 309 97.00 97.42 1.88e-162 PDB 4EUL "Crystal Structure Of Enhanced Green Fluorescent Protein To 1.35a Resolution Reveals Alternative Conformations For Glu222" 99.17 237 99.16 99.16 1.07e-170 PDB 4KA9 "Crystal Structure Analysis Of Single Amino Acid Deletion Mutations In Egfp" 99.17 236 98.74 98.74 4.69e-168 PDB 4KAG "Crystal Structure Analysis Of A Single Amino Acid Deletion Mutation In Egfp" 99.17 236 98.74 98.74 4.25e-168 PDB 4KEX "Crystal Structure Analysis Of A Single Amino Acid Deletion Mutation In Egfp" 99.17 236 98.74 98.74 5.11e-168 PDB 4N3D "Crystal Structure Of The Dimeric Variant Egfp-k162q In P61 Space Group" 96.27 242 98.71 99.14 2.62e-164 PDB 4XL5 "X-ray Structure Of Bgfp-a / Egfp Complex" 100.00 272 98.34 98.34 4.41e-170 PDB 4XVP "X-ray Structure Of Bgfp-c / Egfp Complex" 100.00 272 98.34 98.34 4.41e-170 DBJ BAB11884 "enhanced cyan-green fluorescent protein [synthetic construct]" 99.17 239 97.07 97.07 1.87e-168 DBJ BAB32740 "red-shift green fluorescent protein-fused neomycin phosphotransferase [Cloning vector pLCPVRGNR104]" 98.76 506 97.06 97.48 7.18e-166 DBJ BAB61869 "Rai-chu 101 [synthetic construct]" 99.17 740 97.07 97.07 2.52e-162 DBJ BAB61870 "Rai-chu 101X [synthetic construct]" 99.17 764 97.07 97.07 1.85e-162 DBJ BAB61871 "Picchu-236 [synthetic construct]" 99.17 716 97.07 97.07 5.03e-162 EMBL CAC40615 "green fluorescent protein [Cloning vector pGIL2]" 98.76 238 97.06 97.90 2.27e-168 EMBL CAC40618 "green fluorescent protein [Cloning vector pGIU2]" 98.76 238 97.06 97.90 2.27e-168 EMBL CAC40622 "green fluorescent protein [Cloning vector pGRU2]" 98.76 238 97.06 97.90 2.27e-168 EMBL CAC40625 "green fluorescent protein [Cloning vector pGRL3]" 98.76 238 97.06 97.90 2.27e-168 EMBL CAC40629 "green fluorescent protein [Cloning vector pGRU3]" 98.76 238 97.06 97.90 2.27e-168 GB AAA27721 "green-fluorescent protein [Aequorea victoria]" 98.76 238 97.48 97.90 3.77e-169 GB AAA69675 "green fluorescent protein [Cloning vector p35S-GFP]" 98.76 238 97.48 97.90 3.77e-169 GB AAB01173 "green fluorescent protein [synthetic construct]" 98.76 238 97.48 97.90 3.77e-169 GB AAB02572 "enhanced green fluorescent protein [Cloning vector pEGFP-1]" 99.17 239 98.74 98.74 1.80e-172 GB AAB02574 "enhanced green fluorescent protein [Cloning vector pEGFP-N1]" 99.17 239 98.74 98.74 1.80e-172 REF WP_012569506 "MULTISPECIES: green fluorescent protein [Proteobacteria]" 98.76 238 97.06 97.90 2.27e-168 REF WP_031943942 "enhanced green fluorescent protein [Mycobacterium tuberculosis]" 99.17 239 98.74 98.74 1.80e-172 REF YP_002302326 "green fluorescent protein [Neisseria gonorrhoeae]" 98.76 238 97.06 97.90 2.27e-168 REF YP_009062989 "enhanced green fluorescent protein [Mycobacterium tuberculosis H37Rv]" 99.17 239 98.74 98.74 1.80e-172 SP P42212 "RecName: Full=Green fluorescent protein" 98.76 238 97.48 97.90 3.77e-169 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_CRO _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common '{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid' _BMRB_code CRO _PDB_code CRO _Standard_residue_derivative . _Molecular_mass 319.313 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N1 N1 N . 0 . ? CA1 CA1 C . 0 . ? CB1 CB1 C . 0 . ? CG1 CG1 C . 0 . ? OG1 OG1 O . 0 . ? C1 C1 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? CA2 CA2 C . 0 . ? CA3 CA3 C . 0 . ? C3 C3 C . 0 . ? O3 O3 O . 0 . ? CB2 CB2 C . 0 . ? CG2 CG2 C . 0 . ? CD1 CD1 C . 0 . ? CD2 CD2 C . 0 . ? CE1 CE1 C . 0 . ? CE2 CE2 C . 0 . ? CZ CZ C . 0 . ? OH OH O . 0 . ? OXT OXT O . 0 . ? HN11 HN11 H . 0 . ? H2 H2 H . 0 . ? HA1 HA1 H . 0 . ? HB1 HB1 H . 0 . ? HG11 HG11 H . 0 . ? HG12 HG12 H . 0 . ? HG13 HG13 H . 0 . ? HOG1 HOG1 H . 0 . ? HA31 HA31 H . 0 . ? HA32 HA32 H . 0 . ? HXT HXT H . 0 . ? HB2 HB2 H . 0 . ? HD1 HD1 H . 0 . ? HD2 HD2 H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HOH HOH H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING CG1 CB1 ? ? SING OG1 CB1 ? ? SING CB1 CA1 ? ? SING N1 CA1 ? ? SING OH CZ ? ? DOUB CE1 CZ ? ? SING CE1 CD1 ? ? SING CA1 C1 ? ? SING CZ CE2 ? ? DOUB CD1 CG2 ? ? DOUB N2 C1 ? ? SING N2 CA2 ? ? SING C1 N3 ? ? DOUB CE2 CD2 ? ? SING CG2 CD2 ? ? SING CG2 CB2 ? ? SING N3 CA3 ? ? SING N3 C2 ? ? DOUB CA2 CB2 ? ? SING CA2 C2 ? ? SING CA3 C3 ? ? SING OXT C3 ? ? DOUB C3 O3 ? ? DOUB C2 O2 ? ? SING N1 HN11 ? ? SING N1 H2 ? ? SING CA1 HA1 ? ? SING CB1 HB1 ? ? SING CG1 HG11 ? ? SING CG1 HG12 ? ? SING CG1 HG13 ? ? SING OG1 HOG1 ? ? SING CA3 HA31 ? ? SING CA3 HA32 ? ? SING OXT HXT ? ? SING CB2 HB2 ? ? SING CD1 HD1 ? ? SING CD2 HD2 ? ? SING CE1 HE1 ? ? SING CE2 HE2 ? ? SING OH HOH ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Variant $EFGP 'E. coli' 562 Bacteria . Escherichia coli BL21(DE3) STAR 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 $EFGP 'recombinant technology' . Escherichia coli . pET-15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH 7.7' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D20 5 % 'natural abundance' H20 95 % 'natural abundance' $EFGP 0.4 mM 'natural abundance' NaH2PO4/Na2HPO4 50 mM 'natural abundance' NaCl 300 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'pH 7.7' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D20 5 % 'natural abundance' H20 95 % 'natural abundance' $EFGP 0.4 mM 'natural abundance' NaH2PO4/Na2HPO4 50 mM 'natural abundance' NaCl 300 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version 2007 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'peak picking' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'cryo probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'cryo probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_C-HCACO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C-HCACO' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_C-HCACO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C-HCACO' _Sample_label $sample_2 save_ save_3D_C-HB(CBCA)CO_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C-HB(CBCA)CO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 350 50 mM pH 7.7 0.1 pH pressure 1 0.1 atm temperature 308 0.2 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 350 50 mM pH 7.7 0.1 pH pressure 1 0.1 atm temperature 308 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNHA' '3D HBHA(CO)NH' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D C-HCACO' '3D C-HB(CBCA)CO' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name EFGP _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 4 7 GLY H H 8.39 0.05 1 2 4 7 GLY HA2 H 4.13 0.05 1 3 4 7 GLY HA3 H 3.65 0.05 1 4 4 7 GLY C C 176.10 0.05 1 5 4 7 GLY CA C 46.67 0.10 1 6 4 7 GLY N N 110.25 0.10 1 7 5 8 GLU H H 8.07 0.05 1 8 5 8 GLU HA H 3.89 0.05 1 9 5 8 GLU HB2 H 2.01 0.05 1 10 5 8 GLU HB3 H 1.98 0.05 1 11 5 8 GLU HG2 H 2.23 0.05 1 12 5 8 GLU HG3 H 2.15 0.05 1 13 5 8 GLU C C 179.25 0.05 1 14 5 8 GLU CA C 58.80 0.10 1 15 5 8 GLU CB C 29.20 0.10 1 16 5 8 GLU CG C 35.70 0.10 1 17 5 8 GLU CD C 184.00 0.10 1 18 5 8 GLU N N 119.80 0.10 1 19 6 9 GLU H H 7.89 0.05 1 20 6 9 GLU HA H 4.05 0.05 1 21 6 9 GLU HB2 H 2.08 0.05 1 22 6 9 GLU HB3 H 2.10 0.05 1 23 6 9 GLU HG2 H 2.31 0.05 1 24 6 9 GLU HG3 H 2.31 0.05 1 25 6 9 GLU C C 177.87 0.05 1 26 6 9 GLU CA C 57.96 0.10 1 27 6 9 GLU CB C 29.40 0.10 1 28 6 9 GLU CG C 36.10 0.10 1 29 6 9 GLU CD C 183.50 0.10 1 30 6 9 GLU N N 119.50 0.10 1 31 7 10 LEU H H 7.51 0.05 1 32 7 10 LEU HA H 4.07 0.05 1 33 7 10 LEU HB2 H 1.53 0.05 1 34 7 10 LEU HB3 H 1.31 0.05 1 35 7 10 LEU HG H 1.40 0.05 1 36 7 10 LEU HD1 H 0.77 0.05 1 37 7 10 LEU HD2 H 0.82 0.05 1 38 7 10 LEU C C 177.48 0.05 1 39 7 10 LEU CA C 55.10 0.10 1 40 7 10 LEU CB C 41.80 0.10 1 41 7 10 LEU CG C 27.10 0.10 1 42 7 10 LEU CD1 C 24.00 0.10 1 43 7 10 LEU CD2 C 24.30 0.10 1 44 7 10 LEU N N 117.95 0.10 1 45 8 11 PHE H H 7.55 0.05 1 46 8 11 PHE HA H 4.68 0.05 1 47 8 11 PHE HB2 H 2.46 0.05 1 48 8 11 PHE HB3 H 2.46 0.05 1 49 8 11 PHE HD1 H 7.18 0.05 1 50 8 11 PHE HD2 H 7.18 0.05 1 51 8 11 PHE HE1 H 7.03 0.05 1 52 8 11 PHE HE2 H 7.03 0.05 1 53 8 11 PHE HZ H 6.53 0.05 1 54 8 11 PHE C C 176.37 0.05 1 55 8 11 PHE CA C 57.30 0.10 1 56 8 11 PHE CB C 39.10 0.10 1 57 8 11 PHE CD1 C 133.30 0.10 1 58 8 11 PHE CD2 C 133.30 0.10 1 59 8 11 PHE CE1 C 133.20 0.10 1 60 8 11 PHE CE2 C 133.20 0.10 1 61 8 11 PHE CZ C 130.00 0.10 1 62 8 11 PHE N N 114.50 0.10 1 63 9 12 THR H H 7.33 0.05 1 64 9 12 THR HA H 4.10 0.05 1 65 9 12 THR HB H 4.33 0.05 1 66 9 12 THR HG2 H 1.32 0.05 1 67 9 12 THR C C 174.18 0.05 1 68 9 12 THR CA C 63.20 0.10 1 69 9 12 THR CB C 68.40 0.10 1 70 9 12 THR CG2 C 22.20 0.10 1 71 9 12 THR N N 114.25 0.10 1 72 10 13 GLY H H 8.17 0.05 1 73 10 13 GLY HA2 H 4.42 0.05 1 74 10 13 GLY HA3 H 3.76 0.05 1 75 10 13 GLY C C 172.32 0.05 1 76 10 13 GLY CA C 43.75 0.10 1 77 10 13 GLY N N 112.70 0.10 1 78 11 14 VAL H H 8.20 0.05 1 79 11 14 VAL HA H 4.41 0.05 1 80 11 14 VAL HB H 1.86 0.05 1 81 11 14 VAL HG1 H 0.96 0.05 1 82 11 14 VAL HG2 H 0.77 0.05 1 83 11 14 VAL C C 177.10 0.05 1 84 11 14 VAL CA C 62.60 0.10 1 85 11 14 VAL CB C 31.60 0.10 1 86 11 14 VAL CG1 C 21.60 0.10 1 87 11 14 VAL CG2 C 21.70 0.10 1 88 11 14 VAL N N 121.70 0.10 1 89 12 15 VAL H H 9.07 0.05 1 90 12 15 VAL HA H 4.87 0.05 1 91 12 15 VAL HB H 1.81 0.05 1 92 12 15 VAL HG1 H 0.98 0.05 1 93 12 15 VAL HG2 H 1.21 0.05 1 94 12 15 VAL C C 173.72 0.05 1 95 12 15 VAL CA C 58.40 0.10 1 96 12 15 VAL CB C 35.30 0.10 1 97 12 15 VAL CG1 C 21.70 0.10 1 98 12 15 VAL CG2 C 21.80 0.10 1 99 12 15 VAL N N 132.80 0.10 1 100 13 16 PRO HA H 4.83 0.05 1 101 13 16 PRO HB2 H 2.42 0.05 1 102 13 16 PRO HB3 H 2.06 0.05 1 103 13 16 PRO HG2 H 1.99 0.05 1 104 13 16 PRO HG3 H 2.02 0.05 1 105 13 16 PRO HD2 H 3.92 0.05 2 106 13 16 PRO HD3 H 4.19 0.05 2 107 13 16 PRO C C 175.16 0.05 1 108 13 16 PRO CA C 62.10 0.10 1 109 13 16 PRO CB C 32.15 0.10 1 110 13 16 PRO CG C 27.20 0.10 1 111 13 16 PRO CD C 51.00 0.10 1 112 14 17 ILE H H 8.06 0.05 1 113 14 17 ILE HA H 5.33 0.05 1 114 14 17 ILE HB H 1.87 0.05 1 115 14 17 ILE HG12 H 1.00 0.05 1 116 14 17 ILE HG13 H 0.73 0.05 1 117 14 17 ILE HG2 H 0.70 0.05 1 118 14 17 ILE HD1 H 0.41 0.05 1 119 14 17 ILE C C 176.11 0.05 1 120 14 17 ILE CA C 58.90 0.10 1 121 14 17 ILE CB C 42.80 0.10 1 122 14 17 ILE CG1 C 24.50 0.10 1 123 14 17 ILE CG2 C 18.00 0.10 1 124 14 17 ILE CD1 C 13.50 0.10 1 125 14 17 ILE N N 119.95 0.10 1 126 15 18 LEU H H 8.62 0.05 1 127 15 18 LEU HA H 5.06 0.05 1 128 15 18 LEU HB2 H 1.65 0.05 1 129 15 18 LEU HB3 H 1.52 0.05 1 130 15 18 LEU HG H 1.52 0.05 1 131 15 18 LEU HD1 H 0.14 0.05 1 132 15 18 LEU HD2 H 1.04 0.05 1 133 15 18 LEU C C 174.76 0.05 1 134 15 18 LEU CA C 53.50 0.10 1 135 15 18 LEU CB C 46.20 0.10 1 136 15 18 LEU CG C 27.30 0.10 1 137 15 18 LEU CD1 C 24.80 0.10 1 138 15 18 LEU CD2 C 24.30 0.10 1 139 15 18 LEU N N 129.80 0.10 1 140 16 19 VAL H H 8.73 0.05 1 141 16 19 VAL HA H 5.28 0.05 1 142 16 19 VAL HB H 1.80 0.05 1 143 16 19 VAL HG1 H 0.75 0.05 1 144 16 19 VAL HG2 H 0.87 0.05 1 145 16 19 VAL C C 174.98 0.05 1 146 16 19 VAL CA C 59.45 0.10 1 147 16 19 VAL CB C 35.30 0.10 1 148 16 19 VAL CG1 C 21.60 0.10 1 149 16 19 VAL CG2 C 21.40 0.10 1 150 16 19 VAL N N 123.55 0.10 1 151 17 20 GLU H H 8.82 0.05 1 152 17 20 GLU HA H 5.19 0.05 1 153 17 20 GLU HB2 H 1.87 0.05 1 154 17 20 GLU HB3 H 2.13 0.05 1 155 17 20 GLU HG2 H 2.27 0.05 1 156 17 20 GLU HG3 H 2.17 0.05 1 157 17 20 GLU C C 173.68 0.05 1 158 17 20 GLU CA C 54.95 0.10 1 159 17 20 GLU CB C 33.30 0.10 1 160 17 20 GLU CG C 35.30 0.10 1 161 17 20 GLU N N 126.50 0.10 1 162 18 21 LEU H H 9.13 0.05 1 163 18 21 LEU HA H 5.13 0.05 1 164 18 21 LEU HB2 H 1.53 0.05 1 165 18 21 LEU HB3 H 1.65 0.05 1 166 18 21 LEU HG H 1.18 0.05 1 167 18 21 LEU HD1 H 0.85 0.05 1 168 18 21 LEU HD2 H 0.55 0.05 1 169 18 21 LEU C C 173.91 0.05 1 170 18 21 LEU CA C 53.40 0.10 1 171 18 21 LEU CB C 45.90 0.10 1 172 18 21 LEU CG C 26.80 0.10 1 173 18 21 LEU CD1 C 25.10 0.10 1 174 18 21 LEU CD2 C 26.60 0.10 1 175 18 21 LEU N N 126.50 0.10 1 176 19 22 ASP H H 8.12 0.05 1 177 19 22 ASP HA H 5.05 0.05 1 178 19 22 ASP HB2 H 2.55 0.05 1 179 19 22 ASP HB3 H 2.69 0.05 1 180 19 22 ASP C C 174.50 0.05 1 181 19 22 ASP CA C 53.50 0.10 1 182 19 22 ASP CB C 43.00 0.10 1 183 19 22 ASP CG C 180.34 0.10 1 184 19 22 ASP N N 128.90 0.10 1 185 20 23 GLY H H 8.40 0.05 1 186 20 23 GLY HA2 H 4.95 0.05 1 187 20 23 GLY HA3 H 5.13 0.05 1 188 20 23 GLY C C 172.31 0.05 1 189 20 23 GLY CA C 43.30 0.10 1 190 20 23 GLY N N 111.20 0.10 1 191 21 24 ASP H H 7.01 0.05 1 192 21 24 ASP HA H 5.04 0.05 1 193 21 24 ASP HB2 H 2.70 0.05 1 194 21 24 ASP HB3 H 2.42 0.05 1 195 21 24 ASP C C 176.58 0.05 1 196 21 24 ASP CA C 52.99 0.10 1 197 21 24 ASP CB C 43.20 0.10 1 198 21 24 ASP N N 121.20 0.10 1 199 22 25 VAL H H 8.60 0.05 1 200 22 25 VAL HA H 4.64 0.05 1 201 22 25 VAL HB H 1.71 0.05 1 202 22 25 VAL HG1 H 0.52 0.05 1 203 22 25 VAL HG2 H 0.71 0.05 1 204 22 25 VAL C C 175.00 0.05 1 205 22 25 VAL CA C 60.30 0.10 1 206 22 25 VAL CB C 34.10 0.10 1 207 22 25 VAL CG1 C 21.40 0.10 1 208 22 25 VAL CG2 C 22.10 0.10 1 209 22 25 VAL N N 124.70 0.10 1 210 23 26 ASN H H 9.00 0.05 1 211 23 26 ASN HA H 4.38 0.05 1 212 23 26 ASN HB3 H 2.32 0.05 1 213 23 26 ASN HD21 H 7.02 0.05 2 214 23 26 ASN HD22 H 7.44 0.05 2 215 23 26 ASN C C 173.93 0.05 1 216 23 26 ASN CA C 53.97 0.10 1 217 23 26 ASN CB C 36.20 0.10 1 218 23 26 ASN N N 128.10 0.10 1 219 23 26 ASN ND2 N 111.90 0.10 1 220 24 27 GLY H H 8.08 0.05 1 221 24 27 GLY HA2 H 3.75 0.05 1 222 24 27 GLY HA3 H 4.05 0.05 1 223 24 27 GLY C C 174.58 0.05 1 224 24 27 GLY CA C 45.20 0.10 1 225 24 27 GLY N N 105.10 0.10 1 226 25 28 HIS H H 8.03 0.05 1 227 25 28 HIS HA H 4.60 0.05 1 228 25 28 HIS HB2 H 3.33 0.05 1 229 25 28 HIS HB3 H 2.91 0.05 1 230 25 28 HIS HD1 H 10.60 0.05 1 231 25 28 HIS HD2 H 6.91 0.05 1 232 25 28 HIS HE1 H 7.83 0.05 1 233 25 28 HIS C C 175.20 0.05 1 234 25 28 HIS CA C 54.80 0.10 1 235 25 28 HIS CB C 29.45 0.10 1 236 25 28 HIS CD2 C 120.40 0.10 1 237 25 28 HIS CE1 C 138.70 0.10 1 238 25 28 HIS N N 122.13 0.10 1 239 26 29 LYS H H 8.62 0.05 1 240 26 29 LYS HA H 5.04 0.05 1 241 26 29 LYS HB2 H 1.87 0.05 1 242 26 29 LYS HB3 H 1.72 0.05 1 243 26 29 LYS HG2 H 1.49 0.05 1 244 26 29 LYS HG3 H 1.42 0.05 1 245 26 29 LYS HD2 H 1.76 0.05 1 246 26 29 LYS HD3 H 1.60 0.05 1 247 26 29 LYS HE2 H 2.45 0.05 1 248 26 29 LYS HE3 H 2.45 0.05 1 249 26 29 LYS C C 177.24 0.05 1 250 26 29 LYS CA C 55.00 0.10 1 251 26 29 LYS CB C 34.80 0.10 1 252 26 29 LYS CG C 25.10 0.10 1 253 26 29 LYS CD C 28.90 0.10 1 254 26 29 LYS CE C 41.60 0.10 1 255 26 29 LYS N N 126.95 0.10 1 256 27 30 PHE H H 8.34 0.05 1 257 27 30 PHE HA H 5.12 0.05 1 258 27 30 PHE HB2 H 3.03 0.05 1 259 27 30 PHE HB3 H 2.94 0.05 1 260 27 30 PHE HD1 H 6.71 0.05 1 261 27 30 PHE HD2 H 6.71 0.05 1 262 27 30 PHE HE1 H 6.67 0.05 1 263 27 30 PHE HE2 H 6.67 0.05 1 264 27 30 PHE HZ H 7.11 0.05 1 265 27 30 PHE C C 172.62 0.05 1 266 27 30 PHE CA C 55.20 0.10 1 267 27 30 PHE CB C 41.80 0.10 1 268 27 30 PHE CD1 C 133.30 0.10 1 269 27 30 PHE CD2 C 133.30 0.10 1 270 27 30 PHE CE1 C 129.70 0.10 1 271 27 30 PHE CE2 C 129.50 0.10 1 272 27 30 PHE CZ C 131.20 0.10 1 273 27 30 PHE N N 119.30 0.10 1 274 28 31 SER H H 7.78 0.05 1 275 28 31 SER HA H 5.43 0.05 1 276 28 31 SER HB2 H 3.97 0.05 1 277 28 31 SER HB3 H 3.62 0.05 1 278 28 31 SER C C 173.10 0.05 1 279 28 31 SER CA C 56.95 0.10 1 280 28 31 SER CB C 65.40 0.10 1 281 28 31 SER N N 115.50 0.10 1 282 29 32 VAL H H 9.10 0.05 1 283 29 32 VAL HA H 5.43 0.05 1 284 29 32 VAL HB H 1.96 0.05 1 285 29 32 VAL HG1 H 1.27 0.05 1 286 29 32 VAL HG2 H 0.97 0.05 1 287 29 32 VAL C C 174.43 0.05 1 288 29 32 VAL CA C 59.60 0.10 1 289 29 32 VAL CB C 36.90 0.10 1 290 29 32 VAL CG1 C 22.50 0.10 1 291 29 32 VAL CG2 C 22.10 0.10 1 292 29 32 VAL N N 124.34 0.10 1 293 30 33 SER H H 9.03 0.05 1 294 30 33 SER HA H 5.65 0.05 1 295 30 33 SER HB2 H 3.63 0.05 1 296 30 33 SER HB3 H 3.96 0.05 1 297 30 33 SER C C 174.20 0.05 1 298 30 33 SER CA C 56.00 0.10 1 299 30 33 SER CB C 65.40 0.10 1 300 30 33 SER N N 123.20 0.10 1 301 31 34 GLY H H 9.76 0.05 1 302 31 34 GLY HA2 H 5.27 0.05 1 303 31 34 GLY HA3 H 3.38 0.05 1 304 31 34 GLY C C 171.49 0.05 1 305 31 34 GLY CA C 45.45 0.10 1 306 31 34 GLY N N 112.40 0.10 1 307 32 35 GLU H H 7.87 0.05 1 308 32 35 GLU HA H 5.17 0.05 1 309 32 35 GLU HB2 H 1.99 0.05 1 310 32 35 GLU HB3 H 2.12 0.05 1 311 32 35 GLU HG2 H 2.20 0.05 1 312 32 35 GLU HG3 H 2.20 0.05 1 313 32 35 GLU C C 175.56 0.05 1 314 32 35 GLU CA C 53.80 0.10 1 315 32 35 GLU CB C 33.40 0.10 1 316 32 35 GLU CG C 35.40 0.10 1 317 32 35 GLU N N 117.95 0.10 1 318 33 36 GLY H H 7.91 0.05 1 319 33 36 GLY HA2 H 4.85 0.05 1 320 33 36 GLY HA3 H 3.96 0.05 1 321 33 36 GLY C C 172.27 0.05 1 322 33 36 GLY CA C 45.70 0.10 1 323 33 36 GLY N N 111.10 0.10 1 324 34 37 GLU H H 8.70 0.05 1 325 34 37 GLU HA H 5.10 0.05 1 326 34 37 GLU HB2 H 1.89 0.05 1 327 34 37 GLU HB3 H 1.92 0.05 1 328 34 37 GLU HG2 H 1.98 0.05 1 329 34 37 GLU HG3 H 1.98 0.05 1 330 34 37 GLU C C 174.11 0.05 1 331 34 37 GLU CA C 54.40 0.10 1 332 34 37 GLU CB C 33.97 0.10 1 333 34 37 GLU CG C 34.50 0.10 1 334 34 37 GLU N N 122.70 0.10 1 335 35 38 GLY H H 8.79 0.05 1 336 35 38 GLY HA2 H 4.58 0.05 1 337 35 38 GLY HA3 H 3.72 0.05 1 338 35 38 GLY C C 171.60 0.05 1 339 35 38 GLY CA C 43.80 0.10 1 340 35 38 GLY N N 109.17 0.10 1 341 36 39 ASP H H 9.00 0.05 1 342 36 39 ASP HA H 5.29 0.05 1 343 36 39 ASP HB2 H 2.53 0.05 1 344 36 39 ASP HB3 H 2.72 0.05 1 345 36 39 ASP C C 177.75 0.05 1 346 36 39 ASP CA C 51.40 0.10 1 347 36 39 ASP CB C 42.75 0.10 1 348 36 39 ASP N N 123.50 0.10 1 349 37 40 ALA H H 10.70 0.05 1 350 37 40 ALA HA H 4.37 0.05 1 351 37 40 ALA HB H 1.67 0.05 1 352 37 40 ALA C C 179.00 0.05 1 353 37 40 ALA CA C 53.70 0.10 1 354 37 40 ALA CB C 19.90 0.10 1 355 37 40 ALA N N 130.80 0.10 1 356 38 41 THR H H 9.06 0.05 1 357 38 41 THR HA H 3.90 0.05 1 358 38 41 THR HB H 3.71 0.05 1 359 38 41 THR HG2 H 0.55 0.05 1 360 38 41 THR C C 175.19 0.05 1 361 38 41 THR CA C 65.80 0.10 1 362 38 41 THR CB C 69.60 0.10 1 363 38 41 THR CG2 C 22.20 0.10 1 364 38 41 THR N N 116.95 0.10 1 365 39 42 TYR H H 6.96 0.05 1 366 39 42 TYR HA H 4.66 0.05 1 367 39 42 TYR HB2 H 2.80 0.05 1 368 39 42 TYR HB3 H 2.56 0.05 1 369 39 42 TYR HD1 H 6.96 0.05 1 370 39 42 TYR HD2 H 6.96 0.05 1 371 39 42 TYR HE1 H 6.73 0.05 1 372 39 42 TYR HE2 H 6.73 0.05 1 373 39 42 TYR C C 175.70 0.05 1 374 39 42 TYR CA C 57.30 0.10 1 375 39 42 TYR CB C 39.70 0.10 1 376 39 42 TYR CD1 C 133.10 0.10 1 377 39 42 TYR CD2 C 133.10 0.10 1 378 39 42 TYR CE1 C 118.10 0.10 1 379 39 42 TYR CE2 C 118.10 0.10 1 380 39 42 TYR N N 116.80 0.10 1 381 40 43 GLY H H 8.19 0.05 1 382 40 43 GLY HA2 H 3.86 0.05 1 383 40 43 GLY HA3 H 3.93 0.05 1 384 40 43 GLY CA C 45.00 0.10 1 385 40 43 GLY N N 112.60 0.10 1 386 41 44 LYS H H 7.85 0.05 1 387 41 44 LYS HA H 4.89 0.05 1 388 41 44 LYS HB2 H 1.92 0.05 1 389 41 44 LYS HB3 H 1.72 0.05 1 390 41 44 LYS HG2 H 1.23 0.05 1 391 41 44 LYS HG3 H 1.35 0.05 1 392 41 44 LYS HD2 H 1.42 0.05 1 393 41 44 LYS HD3 H 1.65 0.05 1 394 41 44 LYS HE2 H 2.81 0.05 1 395 41 44 LYS HE3 H 2.60 0.05 1 396 41 44 LYS CA C 54.70 0.10 1 397 41 44 LYS CB C 35.15 0.10 1 398 41 44 LYS CG C 24.65 0.10 1 399 41 44 LYS CD C 28.80 0.10 1 400 41 44 LYS CE C 41.85 0.10 1 401 41 44 LYS N N 117.70 0.10 1 402 42 45 LEU H H 9.13 0.05 1 403 42 45 LEU HA H 4.70 0.05 1 404 42 45 LEU HB2 H 1.08 0.05 1 405 42 45 LEU HB3 H 1.36 0.05 1 406 42 45 LEU HG H 1.41 0.05 1 407 42 45 LEU HD1 H 0.32 0.05 1 408 42 45 LEU HD2 H 0.65 0.05 1 409 42 45 LEU C C 175.42 0.05 1 410 42 45 LEU CA C 53.60 0.10 1 411 42 45 LEU CB C 45.70 0.10 1 412 42 45 LEU CG C 26.90 0.10 1 413 42 45 LEU CD1 C 24.80 0.10 1 414 42 45 LEU CD2 C 24.50 0.10 1 415 42 45 LEU N N 126.20 0.10 1 416 43 46 THR H H 7.98 0.05 1 417 43 46 THR HA H 4.93 0.05 1 418 43 46 THR HB H 3.96 0.05 1 419 43 46 THR HG2 H 1.07 0.05 1 420 43 46 THR CA C 59.70 0.10 1 421 43 46 THR CB C 69.90 0.10 1 422 43 46 THR CG2 C 21.45 0.10 1 423 43 46 THR N N 115.50 0.10 1 424 44 47 LEU HA H 4.72 0.05 1 425 44 47 LEU HB2 H 0.84 0.05 1 426 44 47 LEU HB3 H 1.26 0.05 1 427 44 47 LEU HG H 1.02 0.05 1 428 44 47 LEU HD1 H 0.32 0.05 1 429 44 47 LEU HD2 H 0.67 0.05 1 430 44 47 LEU C C 173.77 0.05 1 431 44 47 LEU CA C 53.70 0.10 1 432 44 47 LEU CB C 48.10 0.10 1 433 44 47 LEU CG C 27.70 0.10 1 434 44 47 LEU CD1 C 24.70 0.10 1 435 44 47 LEU CD2 C 24.70 0.10 1 436 45 48 LYS H H 7.61 0.05 1 437 45 48 LYS HA H 4.90 0.05 1 438 45 48 LYS HB2 H 1.71 0.05 1 439 45 48 LYS HB3 H 1.60 0.05 1 440 45 48 LYS HG2 H 1.42 0.05 1 441 45 48 LYS HG3 H 1.51 0.05 1 442 45 48 LYS HD2 H 1.72 0.05 1 443 45 48 LYS HD3 H 1.72 0.05 1 444 45 48 LYS HE2 H 3.03 0.05 1 445 45 48 LYS HE3 H 2.96 0.05 1 446 45 48 LYS C C 174.76 0.05 1 447 45 48 LYS CA C 54.60 0.10 1 448 45 48 LYS CB C 35.20 0.10 1 449 45 48 LYS CG C 24.90 0.10 1 450 45 48 LYS CD C 28.90 0.10 1 451 45 48 LYS CE C 41.80 0.10 1 452 45 48 LYS N N 119.95 0.10 1 453 46 49 PHE H H 9.14 0.05 1 454 46 49 PHE HA H 5.50 0.05 1 455 46 49 PHE HB2 H 2.44 0.05 1 456 46 49 PHE HB3 H 2.97 0.05 1 457 46 49 PHE HD1 H 7.12 0.05 1 458 46 49 PHE HD2 H 7.12 0.05 1 459 46 49 PHE HE1 H 6.95 0.05 1 460 46 49 PHE HE2 H 6.95 0.05 1 461 46 49 PHE HZ H 6.67 0.05 1 462 46 49 PHE C C 174.56 0.05 1 463 46 49 PHE CA C 55.40 0.10 1 464 46 49 PHE CB C 42.00 0.10 1 465 46 49 PHE CD1 C 131.40 0.10 1 466 46 49 PHE CD2 C 131.40 0.10 1 467 46 49 PHE CE1 C 131.30 0.10 1 468 46 49 PHE CE2 C 131.30 0.10 1 469 46 49 PHE CZ C 129.60 0.10 1 470 46 49 PHE N N 126.10 0.10 1 471 47 50 ILE H H 9.46 0.05 1 472 47 50 ILE HA H 4.99 0.05 1 473 47 50 ILE HB H 1.88 0.05 1 474 47 50 ILE HG12 H 1.17 0.05 1 475 47 50 ILE HG13 H 1.53 0.05 1 476 47 50 ILE HG2 H 0.86 0.05 1 477 47 50 ILE HD1 H 0.76 0.05 1 478 47 50 ILE C C 176.20 0.05 1 479 47 50 ILE CA C 58.70 0.10 1 480 47 50 ILE CB C 41.60 0.10 1 481 47 50 ILE CG1 C 26.70 0.10 1 482 47 50 ILE CG2 C 17.80 0.10 1 483 47 50 ILE CD1 C 13.00 0.10 1 484 47 50 ILE N N 118.40 0.10 1 485 48 51 CYS H H 8.89 0.05 1 486 48 51 CYS HA H 5.38 0.05 1 487 48 51 CYS HB2 H 3.26 0.05 1 488 48 51 CYS HB3 H 2.72 0.05 1 489 48 51 CYS C C 175.60 0.05 1 490 48 51 CYS CA C 57.90 0.10 1 491 48 51 CYS CB C 29.40 0.10 1 492 48 51 CYS N N 125.70 0.10 1 493 49 52 THR H H 8.43 0.05 1 494 49 52 THR HA H 4.34 0.05 1 495 49 52 THR HB H 4.52 0.05 1 496 49 52 THR HG2 H 1.32 0.05 1 497 49 52 THR C C 176.04 0.05 1 498 49 52 THR CA C 62.80 0.10 1 499 49 52 THR CB C 67.30 0.10 1 500 49 52 THR CG2 C 22.20 0.10 1 501 49 52 THR N N 121.90 0.10 1 502 50 53 THR H H 7.95 0.05 1 503 50 53 THR HA H 4.46 0.05 1 504 50 53 THR HB H 4.71 0.05 1 505 50 53 THR HG2 H 1.25 0.05 1 506 50 53 THR C C 174.12 0.05 1 507 50 53 THR CA C 60.70 0.10 1 508 50 53 THR CB C 68.60 0.10 1 509 50 53 THR CG2 C 22.30 0.10 1 510 50 53 THR N N 110.80 0.10 1 511 51 54 GLY H H 7.28 0.05 1 512 51 54 GLY HA2 H 3.52 0.05 1 513 51 54 GLY HA3 H 4.52 0.05 1 514 51 54 GLY C C 172.38 0.05 1 515 51 54 GLY CA C 44.90 0.10 1 516 51 54 GLY N N 111.30 0.10 1 517 52 55 LYS H H 8.47 0.05 1 518 52 55 LYS HA H 4.51 0.05 1 519 52 55 LYS HB2 H 1.50 0.05 1 520 52 55 LYS HB3 H 1.61 0.05 1 521 52 55 LYS HG2 H 1.25 0.05 1 522 52 55 LYS HG3 H 1.33 0.05 1 523 52 55 LYS HD2 H 1.76 0.05 1 524 52 55 LYS HD3 H 1.54 0.05 1 525 52 55 LYS HE2 H 3.02 0.05 1 526 52 55 LYS HE3 H 2.55 0.05 1 527 52 55 LYS C C 177.75 0.05 1 528 52 55 LYS CA C 54.50 0.10 1 529 52 55 LYS CB C 32.90 0.10 1 530 52 55 LYS CG C 22.40 0.10 1 531 52 55 LYS CD C 29.80 0.10 1 532 52 55 LYS CE C 41.90 0.10 1 533 52 55 LYS N N 127.10 0.10 1 534 53 56 LEU H H 9.44 0.05 1 535 53 56 LEU HA H 3.97 0.05 1 536 53 56 LEU HB2 H 1.60 0.05 1 537 53 56 LEU HB3 H 1.32 0.05 1 538 53 56 LEU HG H 0.46 0.05 1 539 53 56 LEU HD1 H -0.26 0.05 1 540 53 56 LEU HD2 H -1.08 0.05 1 541 53 56 LEU CA C 52.70 0.10 1 542 53 56 LEU CB C 41.90 0.10 1 543 53 56 LEU CG C 26.90 0.10 1 544 53 56 LEU CD1 C 24.60 0.10 1 545 53 56 LEU CD2 C 23.60 0.10 1 546 53 56 LEU N N 133.80 0.10 1 547 54 57 PRO HA H 4.33 0.05 1 548 54 57 PRO HB2 H 1.86 0.05 1 549 54 57 PRO HB3 H 2.26 0.05 1 550 54 57 PRO HG2 H 2.02 0.05 1 551 54 57 PRO HG3 H 1.65 0.05 1 552 54 57 PRO HD2 H 3.60 0.05 2 553 54 57 PRO HD3 H 3.60 0.05 2 554 54 57 PRO C C 174.96 0.05 1 555 54 57 PRO CA C 63.40 0.10 1 556 54 57 PRO CB C 31.90 0.10 1 557 54 57 PRO CG C 28.80 0.10 1 558 54 57 PRO CD C 49.40 0.10 1 559 55 58 VAL H H 6.04 0.05 1 560 55 58 VAL HA H 3.85 0.05 1 561 55 58 VAL HB H 1.29 0.05 1 562 55 58 VAL HG1 H 0.23 0.05 1 563 55 58 VAL HG2 H -0.24 0.05 1 564 55 58 VAL CA C 56.00 0.10 1 565 55 58 VAL CB C 31.30 0.10 1 566 55 58 VAL CG1 C 21.60 0.10 1 567 55 58 VAL CG2 C 15.30 0.10 1 568 55 58 VAL N N 107.80 0.10 1 569 56 59 PRO HA H 4.46 0.05 1 570 56 59 PRO HB2 H 1.66 0.05 1 571 56 59 PRO HB3 H 2.04 0.05 1 572 56 59 PRO HG2 H 1.91 0.05 1 573 56 59 PRO HG3 H 1.72 0.05 1 574 56 59 PRO HD2 H 3.26 0.05 2 575 56 59 PRO HD3 H 3.86 0.05 2 576 56 59 PRO CA C 62.20 0.10 1 577 56 59 PRO CB C 33.20 0.10 1 578 56 59 PRO CG C 27.30 0.10 1 579 56 59 PRO CD C 50.50 0.10 1 580 57 60 TRP H H 7.47 0.05 1 581 57 60 TRP HA H 3.96 0.05 1 582 57 60 TRP HB2 H 2.30 0.05 1 583 57 60 TRP HB3 H 2.52 0.05 1 584 57 60 TRP HD1 H 7.47 0.05 1 585 57 60 TRP HE1 H 10.18 0.05 1 586 57 60 TRP HE3 H 6.93 0.05 1 587 57 60 TRP HZ2 H 7.04 0.05 1 588 57 60 TRP HZ3 H 6.63 0.05 1 589 57 60 TRP HH2 H 6.74 0.05 1 590 57 60 TRP CA C 61.70 0.10 1 591 57 60 TRP CB C 28.30 0.10 1 592 57 60 TRP CD1 C 127.14 0.10 1 593 57 60 TRP CE3 C 120.30 0.10 1 594 57 60 TRP CZ2 C 114.60 0.10 1 595 57 60 TRP CZ3 C 121.80 0.10 1 596 57 60 TRP CH2 C 123.10 0.10 1 597 57 60 TRP N N 128.20 0.10 1 598 57 60 TRP NE1 N 133.20 0.10 1 599 58 61 PRO HA H 4.47 0.05 1 600 58 61 PRO HB2 H 1.86 0.05 1 601 58 61 PRO HB3 H 2.22 0.05 1 602 58 61 PRO HG2 H 2.00 0.05 1 603 58 61 PRO HG3 H 1.90 0.05 1 604 58 61 PRO HD2 H 3.58 0.05 2 605 58 61 PRO HD3 H 3.64 0.05 2 606 58 61 PRO C C 180.04 0.05 1 607 58 61 PRO CA C 65.40 0.10 1 608 58 61 PRO CB C 32.00 0.10 1 609 58 61 PRO CG C 27.20 0.10 1 610 58 61 PRO CD C 49.40 0.10 1 611 59 62 THR H H 7.65 0.05 1 612 59 62 THR HA H 4.16 0.05 1 613 59 62 THR HB H 4.32 0.05 1 614 59 62 THR HG2 H 0.76 0.05 1 615 59 62 THR C C 174.58 0.05 1 616 59 62 THR CA C 64.00 0.10 1 617 59 62 THR CB C 69.40 0.10 1 618 59 62 THR CG2 C 23.35 0.10 1 619 59 62 THR N N 104.50 0.10 1 620 60 63 LEU H H 7.86 0.05 1 621 60 63 LEU HA H 4.44 0.05 1 622 60 63 LEU HB2 H 1.24 0.05 1 623 60 63 LEU HB3 H 1.50 0.05 1 624 60 63 LEU HG H 1.33 0.05 1 625 60 63 LEU HD1 H 0.33 0.05 1 626 60 63 LEU HD2 H 0.81 0.05 1 627 60 63 LEU C C 176.98 0.05 1 628 60 63 LEU CA C 53.70 0.10 1 629 60 63 LEU CB C 42.60 0.10 1 630 60 63 LEU CG C 26.70 0.10 1 631 60 63 LEU CD1 C 24.70 0.10 1 632 60 63 LEU CD2 C 24.40 0.10 1 633 60 63 LEU N N 119.10 0.10 1 634 61 64 VAL H H 6.91 0.05 1 635 61 64 VAL HA H 2.98 0.05 1 636 61 64 VAL HB H 1.71 0.05 1 637 61 64 VAL HG1 H 0.41 0.05 1 638 61 64 VAL HG2 H 0.75 0.05 1 639 61 64 VAL C C 175.86 0.05 1 640 61 64 VAL CA C 67.80 0.10 1 641 61 64 VAL CB C 31.60 0.10 1 642 61 64 VAL CG1 C 22.30 0.10 1 643 61 64 VAL CG2 C 21.40 0.10 1 644 61 64 VAL N N 121.70 0.10 1 645 62 65 THR H H 8.13 0.05 1 646 62 65 THR HA H 4.39 0.05 1 647 62 65 THR HB H 4.35 0.05 1 648 62 65 THR HG2 H 0.75 0.05 1 649 62 65 THR C C 177.58 0.05 1 650 62 65 THR CA C 62.70 0.10 1 651 62 65 THR CB C 68.50 0.10 1 652 62 65 THR CG2 C 21.60 0.10 1 653 62 65 THR N N 107.30 0.10 1 654 63 66 THR H H 7.47 0.05 1 655 63 66 THR HA H 4.30 0.05 1 656 63 66 THR HB H 3.95 0.05 1 657 63 66 THR HG2 H 1.07 0.05 1 658 63 66 THR C C 174.43 0.05 1 659 63 66 THR CA C 66.20 0.10 1 660 63 66 THR CB C 69.90 0.10 1 661 63 66 THR CG2 C 21.20 0.10 1 662 63 66 THR N N 120.91 0.10 1 663 64 67 LEU H H 7.71 0.05 1 664 64 67 LEU HA H 4.61 0.05 1 665 64 67 LEU HB2 H 1.17 0.05 1 666 64 67 LEU HB3 H 1.31 0.05 1 667 64 67 LEU HG H 1.16 0.05 1 668 64 67 LEU HD1 H -0.18 0.05 1 669 64 67 LEU HD2 H 0.82 0.05 1 670 64 67 LEU CA C 56.80 0.10 1 671 64 67 LEU CB C 41.80 0.10 1 672 64 67 LEU CG C 26.80 0.10 1 673 64 67 LEU CD1 C 24.80 0.10 1 674 64 67 LEU CD2 C 24.30 0.10 1 675 64 67 LEU N N 119.93 0.10 1 676 65 68 CRO H H 8.58 0.05 1 677 65 68 CRO HA H 3.86 0.05 1 678 65 68 CRO HB H 3.96 0.05 1 679 65 68 CRO HG21 H 1.06 0.05 1 680 65 68 CRO HG22 H 1.06 0.05 1 681 65 68 CRO HG23 H 1.06 0.05 1 682 65 68 CRO CA C 63.60 0.10 1 683 65 68 CRO CB C 69.80 0.10 1 684 65 68 CRO CG2 C 21.70 0.10 1 685 65 68 CRO N N 109.20 0.10 1 686 66 69 CRO HB2 H 7.07 0.05 1 687 66 69 CRO HB3 H 7.07 0.05 1 688 66 69 CRO HD1 H 7.24 0.05 1 689 66 69 CRO HD2 H 7.24 0.05 1 690 66 69 CRO HE1 H 7.14 0.05 1 691 66 69 CRO HE2 H 7.14 0.05 1 692 66 69 CRO CB C 133.20 0.10 1 693 66 69 CRO CD1 C 131.60 0.10 1 694 66 69 CRO CD2 C 131.60 0.10 1 695 66 69 CRO CE1 C 131.70 0.10 1 696 66 69 CRO CE2 C 131.70 0.10 1 697 67 70 CRO CB C 43.70 0.10 1 698 67 70 CRO HB2 H 4.43 0.05 1 699 67 70 CRO HB3 H 4.43 0.05 1 700 68 71 VAL H H 7.60 0.05 1 701 68 71 VAL HA H 4.11 0.05 1 702 68 71 VAL HB H 2.00 0.05 1 703 68 71 VAL HG1 H 0.86 0.05 1 704 68 71 VAL HG2 H 0.76 0.05 1 705 68 71 VAL C C 175.80 0.05 1 706 68 71 VAL CA C 61.60 0.10 1 707 68 71 VAL CB C 32.60 0.10 1 708 68 71 VAL CG1 C 21.12 0.10 1 709 68 71 VAL CG2 C 22.90 0.10 1 710 68 71 VAL N N 116.10 0.10 1 711 69 72 GLN H H 8.26 0.05 1 712 69 72 GLN HA H 4.02 0.05 1 713 69 72 GLN HB2 H 1.99 0.05 1 714 69 72 GLN HB3 H 1.78 0.05 1 715 69 72 GLN HG2 H 2.10 0.05 1 716 69 72 GLN HG3 H 2.24 0.05 1 717 69 72 GLN HE21 H 7.04 0.05 1 718 69 72 GLN HE22 H 7.46 0.05 1 719 69 72 GLN C C 176.10 0.05 1 720 69 72 GLN CA C 57.50 0.10 1 721 69 72 GLN CB C 29.05 0.10 1 722 69 72 GLN CG C 33.40 0.10 1 723 69 72 GLN N N 119.60 0.10 1 724 69 72 GLN NE2 N 111.90 0.10 1 725 70 73 CYS H H 7.16 0.05 1 726 70 73 CYS HA H 4.60 0.05 1 727 70 73 CYS HB2 H 2.02 0.05 1 728 70 73 CYS HB3 H 2.12 0.05 1 729 70 73 CYS C C 172.35 0.05 1 730 70 73 CYS CA C 56.50 0.10 1 731 70 73 CYS CB C 28.20 0.10 1 732 70 73 CYS N N 116.80 0.10 1 733 71 74 PHE H H 7.42 0.05 1 734 71 74 PHE HA H 4.54 0.05 1 735 71 74 PHE HB2 H 3.31 0.05 1 736 71 74 PHE HB3 H 2.51 0.05 1 737 71 74 PHE HD1 H 7.32 0.05 1 738 71 74 PHE HD2 H 7.32 0.05 1 739 71 74 PHE HE1 H 6.53 0.05 1 740 71 74 PHE HE2 H 6.53 0.05 1 741 71 74 PHE HZ H 7.06 0.05 1 742 71 74 PHE CA C 60.10 0.10 1 743 71 74 PHE CB C 38.10 0.10 1 744 71 74 PHE CD1 C 132.40 0.10 1 745 71 74 PHE CD2 C 132.40 0.10 1 746 71 74 PHE CE1 C 130.00 0.10 1 747 71 74 PHE CE2 C 130.00 0.10 1 748 71 74 PHE CZ C 129.00 0.10 1 749 71 74 PHE N N 117.80 0.10 1 750 72 75 SER H H 6.88 0.05 1 751 72 75 SER HA H 4.68 0.05 1 752 72 75 SER HB2 H 3.70 0.05 1 753 72 75 SER HB3 H 3.86 0.05 1 754 72 75 SER CA C 59.40 0.10 1 755 72 75 SER CB C 63.76 0.10 1 756 72 75 SER N N 115.70 0.10 1 757 73 76 ARG H H 8.84 0.05 1 758 73 76 ARG HA H 4.68 0.05 1 759 73 76 ARG HB2 H 1.55 0.05 1 760 73 76 ARG HB3 H 1.74 0.05 1 761 73 76 ARG HG2 H 1.71 0.05 1 762 73 76 ARG HG3 H 1.57 0.05 1 763 73 76 ARG HD2 H 2.95 0.05 1 764 73 76 ARG HD3 H 2.81 0.05 1 765 73 76 ARG HE H 7.47 0.05 1 766 73 76 ARG C C 175.80 0.05 1 767 73 76 ARG CA C 55.00 0.10 1 768 73 76 ARG CB C 29.50 0.10 1 769 73 76 ARG CG C 29.50 0.10 1 770 73 76 ARG CD C 42.20 0.10 1 771 73 76 ARG N N 126.10 0.10 1 772 73 76 ARG NE N 85.00 0.10 1 773 74 77 TYR H H 9.15 0.05 1 774 74 77 TYR HA H 4.65 0.05 1 775 74 77 TYR HB2 H 3.06 0.05 1 776 74 77 TYR HB3 H 2.85 0.05 1 777 74 77 TYR HD1 H 6.69 0.05 1 778 74 77 TYR HD2 H 6.69 0.05 1 779 74 77 TYR HE1 H 6.74 0.05 1 780 74 77 TYR HE2 H 6.74 0.05 1 781 74 77 TYR C C 174.20 0.05 1 782 74 77 TYR CA C 54.70 0.10 1 783 74 77 TYR CB C 36.60 0.10 1 784 74 77 TYR CD1 C 133.20 0.10 1 785 74 77 TYR CD2 C 133.20 0.10 1 786 74 77 TYR CE1 C 118.20 0.10 1 787 74 77 TYR CE2 C 118.20 0.10 1 788 74 77 TYR N N 133.30 0.10 1 789 75 78 PRO HA H 4.85 0.05 1 790 75 78 PRO HB2 H 1.86 0.05 1 791 75 78 PRO HB3 H 2.42 0.05 1 792 75 78 PRO HG2 H 2.13 0.05 1 793 75 78 PRO HG3 H 1.60 0.05 1 794 75 78 PRO HD2 H 3.87 0.05 2 795 75 78 PRO HD3 H 3.85 0.05 2 796 75 78 PRO C C 175.80 0.05 1 797 75 78 PRO CA C 60.70 0.10 1 798 75 78 PRO CB C 32.50 0.10 1 799 75 78 PRO CG C 28.20 0.10 1 800 75 78 PRO CD C 50.00 0.10 1 801 76 79 ASP H H 8.28 0.05 1 802 76 79 ASP HA H 4.40 0.05 1 803 76 79 ASP HB2 H 2.70 0.05 1 804 76 79 ASP HB3 H 2.60 0.05 1 805 76 79 ASP CA C 57.10 0.10 1 806 76 79 ASP CB C 41.00 0.10 1 807 76 79 ASP N N 120.30 0.10 1 808 77 80 HIS HA H 4.61 0.05 1 809 77 80 HIS HB2 H 3.35 0.05 1 810 77 80 HIS HB3 H 2.94 0.05 1 811 77 80 HIS HD1 H 11.66 0.05 1 812 77 80 HIS HD2 H 6.91 0.05 1 813 77 80 HIS HE1 H 7.13 0.05 1 814 77 80 HIS C C 175.28 0.05 1 815 77 80 HIS CA C 57.30 0.10 1 816 77 80 HIS CB C 29.40 0.10 1 817 77 80 HIS CD2 C 120.10 0.10 1 818 77 80 HIS CE1 C 138.70 0.10 1 819 77 80 HIS ND1 N 167.70 0.10 1 820 78 81 MET H H 8.00 0.05 1 821 78 81 MET HA H 4.51 0.05 1 822 78 81 MET HB2 H 1.68 0.05 1 823 78 81 MET HB3 H 1.91 0.05 1 824 78 81 MET HG2 H 2.31 0.05 1 825 78 81 MET HG3 H 2.31 0.05 1 826 78 81 MET HE H 1.51 0.05 1 827 78 81 MET C C 176.12 0.05 1 828 78 81 MET CA C 54.36 0.10 1 829 78 81 MET CB C 33.30 0.10 1 830 78 81 MET CG C 32.10 0.10 1 831 78 81 MET CE C 16.20 0.10 1 832 78 81 MET N N 117.70 0.10 1 833 79 82 LYS H H 7.18 0.05 1 834 79 82 LYS HA H 3.70 0.05 1 835 79 82 LYS HB2 H 1.62 0.05 1 836 79 82 LYS HB3 H 1.78 0.05 1 837 79 82 LYS HG2 H 1.61 0.05 1 838 79 82 LYS HG3 H 1.57 0.05 1 839 79 82 LYS HE2 H 2.99 0.05 1 840 79 82 LYS HE3 H 3.19 0.05 1 841 79 82 LYS C C 178.25 0.05 1 842 79 82 LYS CA C 59.80 0.10 1 843 79 82 LYS CB C 32.70 0.10 1 844 79 82 LYS CG C 25.40 0.10 1 845 79 82 LYS CE C 42.60 0.10 1 846 79 82 LYS N N 121.40 0.10 1 847 80 83 GLN H H 9.05 0.05 1 848 80 83 GLN HA H 4.02 0.05 1 849 80 83 GLN HB2 H 1.70 0.05 1 850 80 83 GLN HB3 H 1.71 0.05 1 851 80 83 GLN HG2 H 1.88 0.05 1 852 80 83 GLN HG3 H 1.97 0.05 1 853 80 83 GLN HE21 H 6.65 0.05 1 854 80 83 GLN HE22 H 7.38 0.05 1 855 80 83 GLN C C 173.67 0.05 1 856 80 83 GLN CA C 56.45 0.10 1 857 80 83 GLN CB C 26.70 0.10 1 858 80 83 GLN CG C 32.40 0.10 1 859 80 83 GLN N N 117.99 0.10 1 860 80 83 GLN NE2 N 112.60 0.10 1 861 81 84 HIS H H 7.57 0.05 1 862 81 84 HIS HA H 4.33 0.05 1 863 81 84 HIS HB2 H 2.43 0.05 1 864 81 84 HIS HB3 H 2.70 0.05 1 865 81 84 HIS HD1 H 11.66 0.05 1 866 81 84 HIS HD2 H 6.48 0.05 1 867 81 84 HIS HE1 H 7.70 0.05 1 868 81 84 HIS C C 173.93 0.05 1 869 81 84 HIS CA C 54.50 0.10 1 870 81 84 HIS CB C 30.70 0.10 1 871 81 84 HIS CD2 C 117.00 0.10 1 872 81 84 HIS CE1 C 139.70 0.10 1 873 81 84 HIS N N 117.25 0.10 1 874 81 84 HIS ND1 N 167.80 0.10 1 875 82 85 ASP H H 6.43 0.05 1 876 82 85 ASP HA H 3.84 0.05 1 877 82 85 ASP HB2 H 2.38 0.05 1 878 82 85 ASP HB3 H 2.48 0.05 1 879 82 85 ASP C C 175.20 0.05 1 880 82 85 ASP CA C 51.40 0.10 1 881 82 85 ASP CB C 37.70 0.10 1 882 82 85 ASP N N 119.45 0.10 1 883 83 86 PHE H H 8.22 0.05 1 884 83 86 PHE HA H 4.09 0.05 1 885 83 86 PHE HB2 H 3.12 0.05 1 886 83 86 PHE HB3 H 3.01 0.05 1 887 83 86 PHE HD1 H 6.70 0.05 1 888 83 86 PHE HD2 H 6.70 0.05 1 889 83 86 PHE HE1 H 6.92 0.05 1 890 83 86 PHE HE2 H 6.92 0.05 1 891 83 86 PHE HZ H 6.14 0.05 1 892 83 86 PHE C C 177.60 0.05 1 893 83 86 PHE CA C 59.80 0.10 1 894 83 86 PHE CB C 41.40 0.10 1 895 83 86 PHE CD1 C 133.20 0.10 1 896 83 86 PHE CD2 C 133.20 0.10 1 897 83 86 PHE CE1 C 133.00 0.10 1 898 83 86 PHE CE2 C 133.00 0.10 1 899 83 86 PHE CZ C 128.70 0.10 1 900 83 86 PHE N N 126.90 0.10 1 901 84 87 PHE H H 6.75 0.05 1 902 84 87 PHE HA H 3.84 0.05 1 903 84 87 PHE HB2 H 2.86 0.05 1 904 84 87 PHE HB3 H 3.11 0.05 1 905 84 87 PHE HD1 H 7.18 0.05 1 906 84 87 PHE HD2 H 7.18 0.05 1 907 84 87 PHE HE1 H 6.72 0.05 1 908 84 87 PHE HE2 H 6.72 0.05 1 909 84 87 PHE C C 177.70 0.05 1 910 84 87 PHE CA C 59.20 0.10 1 911 84 87 PHE CB C 39.40 0.10 1 912 84 87 PHE CD1 C 133.20 0.10 1 913 84 87 PHE CD2 C 133.20 0.10 1 914 84 87 PHE CE1 C 133.30 0.10 1 915 84 87 PHE CE2 C 133.30 0.10 1 916 84 87 PHE N N 113.60 0.10 1 917 85 88 LYS H H 7.18 0.05 1 918 85 88 LYS HA H 3.93 0.05 1 919 85 88 LYS HB2 H 1.90 0.05 1 920 85 88 LYS HB3 H 1.85 0.05 1 921 85 88 LYS HG2 H 1.51 0.05 1 922 85 88 LYS HG3 H 1.41 0.05 1 923 85 88 LYS HD2 H 1.43 0.05 1 924 85 88 LYS HD3 H 1.73 0.05 1 925 85 88 LYS HE2 H 3.00 0.05 1 926 85 88 LYS HE3 H 2.93 0.05 1 927 85 88 LYS C C 179.08 0.05 1 928 85 88 LYS CA C 59.10 0.10 1 929 85 88 LYS CB C 31.90 0.10 1 930 85 88 LYS CG C 25.20 0.10 1 931 85 88 LYS CD C 28.90 0.10 1 932 85 88 LYS CE C 42.80 0.10 1 933 85 88 LYS N N 113.00 0.10 1 934 86 89 SER H H 6.87 0.05 1 935 86 89 SER HA H 4.22 0.05 1 936 86 89 SER HB2 H 3.72 0.05 1 937 86 89 SER HB3 H 3.88 0.05 1 938 86 89 SER C C 174.38 0.05 1 939 86 89 SER CA C 59.90 0.10 1 940 86 89 SER CB C 63.70 0.10 1 941 86 89 SER N N 115.50 0.10 1 942 87 90 ALA H H 6.63 0.05 1 943 87 90 ALA HA H 4.19 0.05 1 944 87 90 ALA HB H 1.21 0.05 1 945 87 90 ALA C C 176.68 0.05 1 946 87 90 ALA CA C 51.50 0.10 1 947 87 90 ALA CB C 18.90 0.10 1 948 87 90 ALA N N 121.90 0.10 1 949 88 91 MET H H 7.48 0.05 1 950 88 91 MET HA H 4.68 0.05 1 951 88 91 MET HB2 H 2.06 0.05 1 952 88 91 MET HB3 H 2.06 0.05 1 953 88 91 MET HG2 H 2.40 0.05 1 954 88 91 MET HG3 H 2.40 0.05 1 955 88 91 MET HE H 2.11 0.05 1 956 88 91 MET C C 174.36 0.05 1 957 88 91 MET CA C 52.15 0.10 1 958 88 91 MET CB C 29.20 0.10 1 959 88 91 MET CG C 33.95 0.10 1 960 88 91 MET CE C 16.90 0.10 1 961 88 91 MET N N 117.60 0.10 1 962 89 92 PRO HA H 4.32 0.05 1 963 89 92 PRO HB2 H 2.23 0.05 1 964 89 92 PRO HB3 H 1.89 0.05 1 965 89 92 PRO HG2 H 1.90 0.05 1 966 89 92 PRO HG3 H 2.10 0.05 1 967 89 92 PRO HD2 H 3.85 0.05 2 968 89 92 PRO HD3 H 3.24 0.05 2 969 89 92 PRO C C 176.88 0.05 1 970 89 92 PRO CA C 63.30 0.10 1 971 89 92 PRO CB C 32.40 0.10 1 972 89 92 PRO CG C 26.50 0.10 1 973 89 92 PRO CD C 50.80 0.10 1 974 90 93 GLU H H 9.53 0.05 1 975 90 93 GLU HA H 3.96 0.05 1 976 90 93 GLU HB2 H 1.91 0.05 1 977 90 93 GLU HB3 H 1.70 0.05 1 978 90 93 GLU HG2 H 2.51 0.05 1 979 90 93 GLU HG3 H 2.37 0.05 1 980 90 93 GLU C C 177.40 0.05 1 981 90 93 GLU CA C 61.10 0.10 1 982 90 93 GLU CB C 28.70 0.10 1 983 90 93 GLU CG C 37.70 0.10 1 984 90 93 GLU CD C 184.38 0.10 1 985 90 93 GLU N N 127.40 0.10 1 986 91 94 GLY H H 8.53 0.05 1 987 91 94 GLY HA2 H 3.76 0.05 1 988 91 94 GLY HA3 H 3.84 0.05 1 989 91 94 GLY C C 174.62 0.05 1 990 91 94 GLY CA C 44.86 0.10 1 991 91 94 GLY N N 101.60 0.10 1 992 92 95 TYR H H 8.62 0.05 1 993 92 95 TYR HA H 5.55 0.05 1 994 92 95 TYR HB2 H 2.78 0.05 1 995 92 95 TYR HB3 H 2.96 0.05 1 996 92 95 TYR HD1 H 6.92 0.05 1 997 92 95 TYR HD2 H 6.92 0.05 1 998 92 95 TYR HE1 H 6.72 0.05 1 999 92 95 TYR HE2 H 6.72 0.05 1 1000 92 95 TYR C C 173.30 0.05 1 1001 92 95 TYR CA C 54.46 0.10 1 1002 92 95 TYR CB C 41.70 0.10 1 1003 92 95 TYR CD1 C 133.00 0.10 1 1004 92 95 TYR CD2 C 133.00 0.10 1 1005 92 95 TYR CE1 C 118.25 0.10 1 1006 92 95 TYR CE2 C 118.25 0.10 1 1007 92 95 TYR N N 112.30 0.10 1 1008 93 96 VAL H H 9.46 0.05 1 1009 93 96 VAL HA H 5.08 0.05 1 1010 93 96 VAL HB H 2.17 0.05 1 1011 93 96 VAL HG1 H 1.07 0.05 1 1012 93 96 VAL HG2 H 0.95 0.05 1 1013 93 96 VAL C C 176.80 0.05 1 1014 93 96 VAL CA C 60.60 0.10 1 1015 93 96 VAL CB C 33.10 0.10 1 1016 93 96 VAL CG1 C 21.80 0.10 1 1017 93 96 VAL CG2 C 21.60 0.10 1 1018 93 96 VAL N N 121.90 0.10 1 1019 94 97 GLN H H 9.52 0.05 1 1020 94 97 GLN HA H 5.36 0.05 1 1021 94 97 GLN HB2 H 1.97 0.05 1 1022 94 97 GLN HB3 H 2.16 0.05 1 1023 94 97 GLN HG2 H 2.38 0.05 1 1024 94 97 GLN HG3 H 2.40 0.05 1 1025 94 97 GLN HE21 H 7.05 0.05 1 1026 94 97 GLN HE22 H 7.34 0.05 1 1027 94 97 GLN C C 175.45 0.05 1 1028 94 97 GLN CA C 54.50 0.10 1 1029 94 97 GLN CB C 33.10 0.10 1 1030 94 97 GLN CG C 33.80 0.10 1 1031 94 97 GLN N N 129.60 0.10 1 1032 94 97 GLN NE2 N 112.35 0.10 1 1033 95 98 GLU H H 9.49 0.05 1 1034 95 98 GLU HA H 5.35 0.05 1 1035 95 98 GLU HB2 H 2.28 0.05 1 1036 95 98 GLU HB3 H 2.13 0.05 1 1037 95 98 GLU HG2 H 2.30 0.05 1 1038 95 98 GLU HG3 H 2.23 0.05 1 1039 95 98 GLU C C 175.94 0.05 1 1040 95 98 GLU CA C 54.50 0.10 1 1041 95 98 GLU CB C 33.30 0.10 1 1042 95 98 GLU CG C 36.30 0.10 1 1043 95 98 GLU CD C 183.50 0.10 1 1044 95 98 GLU N N 133.34 0.10 1 1045 96 99 ARG H H 8.68 0.05 1 1046 96 99 ARG HA H 5.92 0.05 1 1047 96 99 ARG HB2 H 1.72 0.05 1 1048 96 99 ARG HB3 H 1.62 0.05 1 1049 96 99 ARG HG2 H 1.55 0.05 1 1050 96 99 ARG HG3 H 1.37 0.05 1 1051 96 99 ARG HD2 H 3.32 0.05 1 1052 96 99 ARG HD3 H 2.96 0.05 1 1053 96 99 ARG HE H 7.84 0.05 1 1054 96 99 ARG C C 177.76 0.05 1 1055 96 99 ARG CA C 55.50 0.10 1 1056 96 99 ARG CB C 34.90 0.10 1 1057 96 99 ARG CG C 28.30 0.10 1 1058 96 99 ARG CD C 41.90 0.10 1 1059 96 99 ARG N N 119.00 0.10 1 1060 96 99 ARG NE N 86.00 0.10 1 1061 97 100 THR H H 8.28 0.05 1 1062 97 100 THR HA H 4.81 0.05 1 1063 97 100 THR HB H 3.73 0.05 1 1064 97 100 THR HG2 H 0.55 0.05 1 1065 97 100 THR C C 172.79 0.05 1 1066 97 100 THR CA C 62.74 0.10 1 1067 97 100 THR CB C 69.20 0.10 1 1068 97 100 THR CG2 C 22.40 0.10 1 1069 97 100 THR N N 115.80 0.10 1 1070 98 101 ILE H H 9.13 0.05 1 1071 98 101 ILE HA H 4.30 0.05 1 1072 98 101 ILE HB H 1.33 0.05 1 1073 98 101 ILE HG12 H 0.99 0.05 1 1074 98 101 ILE HG13 H 0.56 0.05 1 1075 98 101 ILE HG2 H -0.65 0.05 1 1076 98 101 ILE HD1 H 0.65 0.05 1 1077 98 101 ILE C C 174.87 0.05 1 1078 98 101 ILE CA C 58.80 0.10 1 1079 98 101 ILE CB C 41.30 0.10 1 1080 98 101 ILE CG1 C 26.50 0.10 1 1081 98 101 ILE CG2 C 17.40 0.10 1 1082 98 101 ILE CD1 C 12.20 0.10 1 1083 98 101 ILE N N 126.30 0.10 1 1084 99 102 PHE H H 8.77 0.05 1 1085 99 102 PHE HA H 4.61 0.05 1 1086 99 102 PHE HB2 H 2.82 0.05 1 1087 99 102 PHE HB3 H 3.11 0.05 1 1088 99 102 PHE HD1 H 7.12 0.05 1 1089 99 102 PHE HD2 H 7.12 0.05 1 1090 99 102 PHE HE1 H 6.95 0.05 1 1091 99 102 PHE HE2 H 6.95 0.05 1 1092 99 102 PHE HZ H 7.13 0.05 1 1093 99 102 PHE C C 176.80 0.05 1 1094 99 102 PHE CA C 56.40 0.10 1 1095 99 102 PHE CB C 40.40 0.10 1 1096 99 102 PHE CD1 C 131.40 0.10 1 1097 99 102 PHE CD2 C 131.40 0.10 1 1098 99 102 PHE CE1 C 131.40 0.10 1 1099 99 102 PHE CE2 C 131.40 0.10 1 1100 99 102 PHE CZ C 130.90 0.10 1 1101 99 102 PHE N N 125.70 0.10 1 1102 100 103 PHE H H 8.56 0.05 1 1103 100 103 PHE HA H 4.73 0.05 1 1104 100 103 PHE HB2 H 2.91 0.05 1 1105 100 103 PHE HB3 H 2.96 0.05 1 1106 100 103 PHE HD1 H 7.13 0.05 1 1107 100 103 PHE HD2 H 7.13 0.05 1 1108 100 103 PHE HE1 H 7.24 0.05 1 1109 100 103 PHE HE2 H 7.24 0.05 1 1110 100 103 PHE HZ H 7.47 0.05 1 1111 100 103 PHE C C 175.10 0.05 1 1112 100 103 PHE CA C 57.70 0.10 1 1113 100 103 PHE CB C 41.80 0.10 1 1114 100 103 PHE CD1 C 131.51 0.10 1 1115 100 103 PHE CD2 C 131.51 0.10 1 1116 100 103 PHE CE1 C 131.80 0.10 1 1117 100 103 PHE CE2 C 131.80 0.10 1 1118 100 103 PHE CZ C 128.10 0.10 1 1119 100 103 PHE N N 127.05 0.10 1 1120 101 104 LYS H H 7.83 0.05 1 1121 101 104 LYS HA H 4.14 0.05 1 1122 101 104 LYS HB2 H 1.86 0.05 1 1123 101 104 LYS HB3 H 1.99 0.05 1 1124 101 104 LYS HG2 H 1.62 0.05 1 1125 101 104 LYS HG3 H 1.56 0.05 1 1126 101 104 LYS HD2 H 1.61 0.05 1 1127 101 104 LYS HD3 H 1.50 0.05 1 1128 101 104 LYS HE2 H 2.95 0.05 1 1129 101 104 LYS HE3 H 3.00 0.05 1 1130 101 104 LYS C C 177.31 0.05 1 1131 101 104 LYS CA C 57.90 0.10 1 1132 101 104 LYS CB C 32.50 0.10 1 1133 101 104 LYS CG C 25.20 0.10 1 1134 101 104 LYS CD C 28.40 0.10 1 1135 101 104 LYS CE C 41.80 0.10 1 1136 101 104 LYS N N 128.70 0.10 1 1137 102 105 ASP H H 9.25 0.05 1 1138 102 105 ASP HA H 4.32 0.05 1 1139 102 105 ASP HB2 H 2.91 0.05 1 1140 102 105 ASP HB3 H 3.02 0.05 1 1141 102 105 ASP C C 174.32 0.05 1 1142 102 105 ASP CA C 55.60 0.10 1 1143 102 105 ASP CB C 39.60 0.10 1 1144 102 105 ASP N N 122.90 0.10 1 1145 103 106 ASP H H 8.57 0.05 1 1146 103 106 ASP HA H 4.80 0.05 1 1147 103 106 ASP HB2 H 2.68 0.05 1 1148 103 106 ASP HB3 H 2.94 0.05 1 1149 103 106 ASP C C 177.07 0.05 1 1150 103 106 ASP CA C 53.10 0.10 1 1151 103 106 ASP CB C 41.90 0.10 1 1152 103 106 ASP N N 124.00 0.10 1 1153 104 107 GLY H H 7.59 0.05 1 1154 104 107 GLY HA2 H 3.63 0.05 1 1155 104 107 GLY HA3 H 3.73 0.05 1 1156 104 107 GLY C C 170.92 0.05 1 1157 104 107 GLY CA C 43.70 0.10 1 1158 104 107 GLY N N 109.10 0.10 1 1159 105 108 ASN H H 7.72 0.05 1 1160 105 108 ASN HA H 5.75 0.05 1 1161 105 108 ASN HB2 H 2.50 0.05 1 1162 105 108 ASN HB3 H 2.91 0.05 1 1163 105 108 ASN HD21 H 6.31 0.05 2 1164 105 108 ASN HD22 H 7.56 0.05 2 1165 105 108 ASN C C 175.25 0.05 1 1166 105 108 ASN CA C 50.80 0.10 1 1167 105 108 ASN CB C 42.00 0.10 1 1168 105 108 ASN N N 111.60 0.10 1 1169 105 108 ASN ND2 N 115.20 0.10 1 1170 106 109 TYR H H 9.05 0.05 1 1171 106 109 TYR HA H 5.86 0.05 1 1172 106 109 TYR HB2 H 3.04 0.05 1 1173 106 109 TYR HB3 H 2.64 0.05 1 1174 106 109 TYR C C 175.19 0.05 1 1175 106 109 TYR CA C 52.00 0.10 1 1176 106 109 TYR CB C 40.00 0.10 1 1177 106 109 TYR CD1 C 133.20 0.10 1 1178 106 109 TYR CD2 C 133.20 0.10 1 1179 106 109 TYR CE1 C 118.80 0.10 1 1180 106 109 TYR CE2 C 118.80 0.10 1 1181 106 109 TYR N N 117.10 0.10 1 1182 107 110 LYS H H 9.23 0.05 1 1183 107 110 LYS HA H 5.26 0.05 1 1184 107 110 LYS HB2 H 1.92 0.05 1 1185 107 110 LYS HB3 H 1.79 0.05 1 1186 107 110 LYS HG2 H 1.41 0.05 1 1187 107 110 LYS HG3 H 1.51 0.05 1 1188 107 110 LYS HD2 H 1.73 0.05 1 1189 107 110 LYS HD3 H 1.73 0.05 1 1190 107 110 LYS HE2 H 3.26 0.05 1 1191 107 110 LYS HE3 H 3.00 0.05 1 1192 107 110 LYS C C 177.26 0.05 1 1193 107 110 LYS CA C 55.30 0.10 1 1194 107 110 LYS CB C 35.10 0.10 1 1195 107 110 LYS CG C 25.00 0.10 1 1196 107 110 LYS CD C 29.00 0.10 1 1197 107 110 LYS CE C 42.80 0.10 1 1198 107 110 LYS N N 123.30 0.10 1 1199 108 111 THR H H 9.23 0.05 1 1200 108 111 THR HA H 5.56 0.05 1 1201 108 111 THR HB H 4.06 0.05 1 1202 108 111 THR HG2 H 0.99 0.05 1 1203 108 111 THR C C 173.81 0.05 1 1204 108 111 THR CA C 58.73 0.10 1 1205 108 111 THR CB C 70.90 0.10 1 1206 108 111 THR CG2 C 21.80 0.10 1 1207 108 111 THR N N 115.80 0.10 1 1208 109 112 ARG H H 8.61 0.05 1 1209 109 112 ARG HA H 4.82 0.05 1 1210 109 112 ARG HB2 H 1.75 0.05 1 1211 109 112 ARG HB3 H 1.79 0.05 1 1212 109 112 ARG HG2 H 1.66 0.05 1 1213 109 112 ARG HG3 H 1.76 0.05 1 1214 109 112 ARG HD2 H 3.03 0.05 1 1215 109 112 ARG HD3 H 3.03 0.05 1 1216 109 112 ARG HE H 7.15 0.05 1 1217 109 112 ARG C C 173.45 0.05 1 1218 109 112 ARG CA C 56.20 0.10 1 1219 109 112 ARG CB C 32.90 0.10 1 1220 109 112 ARG CG C 27.35 0.10 1 1221 109 112 ARG CD C 42.02 0.10 1 1222 109 112 ARG N N 124.30 0.10 1 1223 110 113 ALA H H 8.95 0.05 1 1224 110 113 ALA HA H 5.87 0.05 1 1225 110 113 ALA HB H 1.60 0.05 1 1226 110 113 ALA C C 176.37 0.05 1 1227 110 113 ALA CA C 49.28 0.10 1 1228 110 113 ALA CB C 25.20 0.10 1 1229 110 113 ALA N N 131.90 0.10 1 1230 111 114 GLU H H 8.44 0.05 1 1231 111 114 GLU HA H 4.96 0.05 1 1232 111 114 GLU HB2 H 1.73 0.05 1 1233 111 114 GLU HB3 H 1.91 0.05 1 1234 111 114 GLU HG2 H 2.25 0.05 1 1235 111 114 GLU HG3 H 2.18 0.05 1 1236 111 114 GLU C C 174.60 0.05 1 1237 111 114 GLU CA C 55.17 0.10 1 1238 111 114 GLU CB C 29.20 0.10 1 1239 111 114 GLU CG C 35.70 0.10 1 1240 111 114 GLU N N 119.70 0.10 1 1241 112 115 VAL H H 8.56 0.05 1 1242 112 115 VAL HA H 5.14 0.05 1 1243 112 115 VAL HB H 1.56 0.05 1 1244 112 115 VAL HG1 H 0.97 0.05 1 1245 112 115 VAL HG2 H 0.86 0.05 1 1246 112 115 VAL C C 174.62 0.05 1 1247 112 115 VAL CA C 59.90 0.10 1 1248 112 115 VAL CB C 29.70 0.10 1 1249 112 115 VAL CG1 C 21.60 0.10 1 1250 112 115 VAL CG2 C 21.50 0.10 1 1251 112 115 VAL N N 126.30 0.10 1 1252 113 116 LYS H H 8.54 0.05 1 1253 113 116 LYS HA H 4.45 0.05 1 1254 113 116 LYS HB2 H 2.00 0.05 1 1255 113 116 LYS HB3 H 1.93 0.05 1 1256 113 116 LYS HG2 H 1.35 0.05 1 1257 113 116 LYS HG3 H 1.33 0.05 1 1258 113 116 LYS HD2 H 1.76 0.05 1 1259 113 116 LYS HD3 H 1.75 0.05 1 1260 113 116 LYS HE2 H 3.03 0.05 1 1261 113 116 LYS HE3 H 3.03 0.05 1 1262 113 116 LYS C C 174.50 0.05 1 1263 113 116 LYS CA C 54.30 0.10 1 1264 113 116 LYS CB C 32.10 0.10 1 1265 113 116 LYS CG C 22.40 0.10 1 1266 113 116 LYS CD C 29.00 0.10 1 1267 113 116 LYS CE C 41.80 0.10 1 1268 113 116 LYS N N 120.90 0.10 1 1269 114 117 PHE H H 7.54 0.05 1 1270 114 117 PHE HA H 4.98 0.05 1 1271 114 117 PHE HB2 H 2.96 0.05 1 1272 114 117 PHE HB3 H 3.03 0.05 1 1273 114 117 PHE HD1 H 7.17 0.05 1 1274 114 117 PHE HD2 H 7.17 0.05 1 1275 114 117 PHE HE1 H 6.67 0.05 1 1276 114 117 PHE HE2 H 6.67 0.05 1 1277 114 117 PHE HZ H 6.45 0.05 1 1278 114 117 PHE C C 177.35 0.05 1 1279 114 117 PHE CA C 58.70 0.10 1 1280 114 117 PHE CB C 41.80 0.10 1 1281 114 117 PHE CD1 C 133.20 0.10 1 1282 114 117 PHE CD2 C 133.20 0.10 1 1283 114 117 PHE CE1 C 129.70 0.10 1 1284 114 117 PHE CE2 C 129.70 0.10 1 1285 114 117 PHE CZ C 127.20 0.10 1 1286 114 117 PHE N N 118.60 0.10 1 1287 115 118 GLU H H 9.15 0.05 1 1288 115 118 GLU HA H 4.48 0.05 1 1289 115 118 GLU HB2 H 1.87 0.05 1 1290 115 118 GLU HB3 H 2.00 0.05 1 1291 115 118 GLU HG2 H 2.18 0.05 1 1292 115 118 GLU HG3 H 2.20 0.05 1 1293 115 118 GLU C C 176.87 0.05 1 1294 115 118 GLU CA C 55.10 0.10 1 1295 115 118 GLU CB C 29.50 0.10 1 1296 115 118 GLU CG C 35.80 0.10 1 1297 115 118 GLU N N 125.30 0.10 1 1298 116 119 GLY H H 8.84 0.05 1 1299 116 119 GLY HA2 H 3.62 0.05 1 1300 116 119 GLY HA3 H 4.04 0.05 1 1301 116 119 GLY C C 174.51 0.05 1 1302 116 119 GLY CA C 46.60 0.10 1 1303 116 119 GLY N N 116.95 0.10 1 1304 117 120 ASP H H 8.50 0.05 1 1305 117 120 ASP HA H 4.71 0.05 1 1306 117 120 ASP HB2 H 2.82 0.05 1 1307 117 120 ASP HB3 H 2.68 0.05 1 1308 117 120 ASP C C 175.42 0.05 1 1309 117 120 ASP CA C 53.70 0.10 1 1310 117 120 ASP CB C 41.40 0.10 1 1311 117 120 ASP N N 127.10 0.10 1 1312 118 121 THR H H 7.60 0.05 1 1313 118 121 THR HA H 4.36 0.05 1 1314 118 121 THR HB H 3.98 0.05 1 1315 118 121 THR HG2 H 1.02 0.05 1 1316 118 121 THR C C 171.38 0.05 1 1317 118 121 THR CA C 61.50 0.10 1 1318 118 121 THR CB C 70.60 0.10 1 1319 118 121 THR CG2 C 21.50 0.10 1 1320 118 121 THR N N 116.10 0.10 1 1321 119 122 LEU H H 8.50 0.05 1 1322 119 122 LEU HA H 3.79 0.05 1 1323 119 122 LEU HB2 H 1.89 0.05 1 1324 119 122 LEU HB3 H 1.88 0.05 1 1325 119 122 LEU HG H 1.33 0.05 1 1326 119 122 LEU HD1 H 0.66 0.05 1 1327 119 122 LEU HD2 H 0.33 0.05 1 1328 119 122 LEU C C 174.58 0.05 1 1329 119 122 LEU CA C 51.90 0.10 1 1330 119 122 LEU CB C 42.80 0.10 1 1331 119 122 LEU CG C 26.70 0.10 1 1332 119 122 LEU CD1 C 24.80 0.10 1 1333 119 122 LEU CD2 C 24.70 0.10 1 1334 119 122 LEU N N 131.70 0.10 1 1335 120 123 VAL H H 8.85 0.05 1 1336 120 123 VAL HA H 5.30 0.05 1 1337 120 123 VAL HB H 1.90 0.05 1 1338 120 123 VAL HG1 H 0.77 0.05 1 1339 120 123 VAL HG2 H 0.86 0.05 1 1340 120 123 VAL C C 174.23 0.05 1 1341 120 123 VAL CA C 59.50 0.10 1 1342 120 123 VAL CB C 34.30 0.10 1 1343 120 123 VAL CG1 C 21.50 0.10 1 1344 120 123 VAL CG2 C 21.30 0.10 1 1345 120 123 VAL N N 126.00 0.10 1 1346 121 124 ASN H H 8.37 0.05 1 1347 121 124 ASN HA H 5.50 0.05 1 1348 121 124 ASN HB2 H 2.92 0.05 1 1349 121 124 ASN HB3 H 2.22 0.05 1 1350 121 124 ASN HD21 H 7.27 0.05 2 1351 121 124 ASN HD22 H 6.78 0.05 2 1352 121 124 ASN C C 174.10 0.05 1 1353 121 124 ASN CA C 50.50 0.10 1 1354 121 124 ASN CB C 41.20 0.10 1 1355 121 124 ASN CG C 178.11 0.10 1 1356 121 124 ASN N N 123.40 0.10 1 1357 121 124 ASN ND2 N 113.20 0.10 1 1358 122 125 ARG H H 8.53 0.05 1 1359 122 125 ARG HA H 5.26 0.05 1 1360 122 125 ARG HB2 H 1.73 0.05 1 1361 122 125 ARG HB3 H 1.81 0.05 1 1362 122 125 ARG HG2 H 1.53 0.05 1 1363 122 125 ARG HG3 H 1.67 0.05 1 1364 122 125 ARG HD2 H 3.10 0.05 1 1365 122 125 ARG HD3 H 2.94 0.05 1 1366 122 125 ARG C C 176.72 0.05 1 1367 122 125 ARG CA C 55.40 0.10 1 1368 122 125 ARG CB C 32.30 0.10 1 1369 122 125 ARG CG C 27.10 0.10 1 1370 122 125 ARG CD C 41.80 0.10 1 1371 122 125 ARG N N 126.10 0.10 1 1372 123 126 ILE H H 9.20 0.05 1 1373 123 126 ILE HA H 4.84 0.05 1 1374 123 126 ILE HB H 1.87 0.05 1 1375 123 126 ILE HG12 H 1.52 0.05 1 1376 123 126 ILE HG13 H 1.17 0.05 1 1377 123 126 ILE HG2 H 0.80 0.05 1 1378 123 126 ILE HD1 H 0.76 0.05 1 1379 123 126 ILE C C 175.87 0.05 1 1380 123 126 ILE CA C 60.80 0.10 1 1381 123 126 ILE CB C 41.70 0.10 1 1382 123 126 ILE CG1 C 26.80 0.10 1 1383 123 126 ILE CG2 C 19.70 0.10 1 1384 123 126 ILE CD1 C 12.70 0.10 1 1385 123 126 ILE N N 124.70 0.10 1 1386 124 127 GLU H H 8.85 0.05 1 1387 124 127 GLU HA H 5.07 0.05 1 1388 124 127 GLU HB2 H 2.02 0.05 1 1389 124 127 GLU HB3 H 2.04 0.05 1 1390 124 127 GLU HG2 H 2.18 0.05 1 1391 124 127 GLU HG3 H 2.18 0.05 1 1392 124 127 GLU C C 174.55 0.05 1 1393 124 127 GLU CA C 54.90 0.10 1 1394 124 127 GLU CB C 32.40 0.10 1 1395 124 127 GLU CG C 36.20 0.10 1 1396 124 127 GLU N N 127.90 0.10 1 1397 125 128 LEU H H 8.52 0.05 1 1398 125 128 LEU HA H 4.95 0.05 1 1399 125 128 LEU HB2 H 1.25 0.05 1 1400 125 128 LEU HB3 H 1.07 0.05 1 1401 125 128 LEU HG H 1.17 0.05 1 1402 125 128 LEU HD1 H 0.80 0.05 1 1403 125 128 LEU HD2 H 0.54 0.05 1 1404 125 128 LEU C C 174.66 0.05 1 1405 125 128 LEU CA C 53.70 0.10 1 1406 125 128 LEU CB C 45.70 0.10 1 1407 125 128 LEU CG C 26.90 0.10 1 1408 125 128 LEU CD1 C 24.20 0.10 1 1409 125 128 LEU CD2 C 25.50 0.10 1 1410 125 128 LEU N N 127.30 0.10 1 1411 126 129 LYS H H 9.11 0.05 1 1412 126 129 LYS HA H 5.29 0.05 1 1413 126 129 LYS HB2 H 1.84 0.05 1 1414 126 129 LYS HB3 H 1.71 0.05 1 1415 126 129 LYS HG2 H 1.41 0.05 1 1416 126 129 LYS HG3 H 1.41 0.05 1 1417 126 129 LYS HD2 H 1.72 0.05 1 1418 126 129 LYS HD3 H 1.69 0.05 1 1419 126 129 LYS HE2 H 2.93 0.05 1 1420 126 129 LYS HE3 H 2.93 0.05 1 1421 126 129 LYS C C 175.76 0.05 1 1422 126 129 LYS CA C 54.10 0.10 1 1423 126 129 LYS CB C 35.30 0.10 1 1424 126 129 LYS CG C 25.10 0.10 1 1425 126 129 LYS CD C 28.90 0.10 1 1426 126 129 LYS CE C 41.90 0.10 1 1427 126 129 LYS N N 130.10 0.10 1 1428 127 130 GLY H H 10.33 0.05 1 1429 127 130 GLY HA2 H 5.37 0.05 1 1430 127 130 GLY HA3 H 4.98 0.05 1 1431 127 130 GLY C C 172.43 0.05 1 1432 127 130 GLY CA C 45.10 0.10 1 1433 127 130 GLY N N 117.10 0.10 1 1434 128 131 ILE H H 8.92 0.05 1 1435 128 131 ILE HA H 5.20 0.05 1 1436 128 131 ILE HB H 1.88 0.05 1 1437 128 131 ILE HG12 H 1.30 0.05 1 1438 128 131 ILE HG13 H 1.37 0.05 1 1439 128 131 ILE HG2 H 0.95 0.05 1 1440 128 131 ILE HD1 H 0.92 0.05 1 1441 128 131 ILE C C 172.81 0.05 1 1442 128 131 ILE CA C 59.10 0.10 1 1443 128 131 ILE CB C 42.80 0.10 1 1444 128 131 ILE CG1 C 25.60 0.10 1 1445 128 131 ILE CG2 C 17.60 0.10 1 1446 128 131 ILE CD1 C 14.00 0.10 1 1447 128 131 ILE N N 125.50 0.10 1 1448 129 132 ASP H H 8.48 0.05 1 1449 129 132 ASP HA H 4.20 0.05 1 1450 129 132 ASP HB2 H 2.79 0.05 1 1451 129 132 ASP HB3 H 2.87 0.05 1 1452 129 132 ASP C C 175.65 0.05 1 1453 129 132 ASP CA C 55.10 0.10 1 1454 129 132 ASP CB C 40.20 0.10 1 1455 129 132 ASP N N 115.60 0.10 1 1456 130 133 PHE H H 8.49 0.05 1 1457 130 133 PHE HA H 4.52 0.05 1 1458 130 133 PHE HB2 H 3.06 0.05 1 1459 130 133 PHE HB3 H 2.84 0.05 1 1460 130 133 PHE HD1 H 7.02 0.05 1 1461 130 133 PHE HD2 H 7.02 0.05 1 1462 130 133 PHE HE1 H 6.70 0.05 1 1463 130 133 PHE HE2 H 6.70 0.05 1 1464 130 133 PHE HZ H 6.44 0.05 1 1465 130 133 PHE C C 177.91 0.05 1 1466 130 133 PHE CA C 58.80 0.10 1 1467 130 133 PHE CB C 39.80 0.10 1 1468 130 133 PHE CD1 C 132.30 0.10 1 1469 130 133 PHE CD2 C 132.30 0.10 1 1470 130 133 PHE CE1 C 129.80 0.10 1 1471 130 133 PHE CE2 C 129.80 0.10 1 1472 130 133 PHE CZ C 127.10 0.10 1 1473 130 133 PHE N N 116.10 0.10 1 1474 131 134 LYS H H 9.77 0.05 1 1475 131 134 LYS HA H 4.32 0.05 1 1476 131 134 LYS HB2 H 1.79 0.05 1 1477 131 134 LYS HB3 H 1.84 0.05 1 1478 131 134 LYS HG2 H 1.46 0.05 1 1479 131 134 LYS HG3 H 1.57 0.05 1 1480 131 134 LYS HD2 H 1.68 0.05 1 1481 131 134 LYS HD3 H 1.72 0.05 1 1482 131 134 LYS HE2 H 2.95 0.05 1 1483 131 134 LYS HE3 H 2.95 0.05 1 1484 131 134 LYS CA C 55.20 0.10 1 1485 131 134 LYS CB C 32.60 0.10 1 1486 131 134 LYS CG C 25.10 0.10 1 1487 131 134 LYS CD C 29.00 0.10 1 1488 131 134 LYS CE C 41.70 0.10 1 1489 131 134 LYS N N 124.45 0.10 1 1490 132 135 GLU H H 10.35 0.05 1 1491 132 135 GLU HA H 3.83 0.05 1 1492 132 135 GLU HB2 H 2.07 0.05 1 1493 132 135 GLU HB3 H 1.99 0.05 1 1494 132 135 GLU HG2 H 2.18 0.05 1 1495 132 135 GLU HG3 H 2.31 0.05 1 1496 132 135 GLU C C 175.70 0.05 1 1497 132 135 GLU CA C 59.20 0.10 1 1498 132 135 GLU CB C 28.90 0.10 1 1499 132 135 GLU CG C 35.95 0.10 1 1500 132 135 GLU N N 130.70 0.10 1 1501 133 136 ASP H H 8.18 0.05 1 1502 133 136 ASP HA H 4.64 0.05 1 1503 133 136 ASP HB2 H 2.56 0.05 1 1504 133 136 ASP HB3 H 2.79 0.05 1 1505 133 136 ASP C C 176.80 0.05 1 1506 133 136 ASP CA C 51.80 0.10 1 1507 133 136 ASP CB C 39.60 0.10 1 1508 133 136 ASP N N 114.80 0.10 1 1509 134 137 GLY H H 7.08 0.05 1 1510 134 137 GLY HA2 H 3.75 0.05 1 1511 134 137 GLY HA3 H 4.41 0.05 1 1512 134 137 GLY C C 174.57 0.05 1 1513 134 137 GLY CA C 43.80 0.10 1 1514 134 137 GLY N N 105.30 0.10 1 1515 135 138 ASN H H 9.14 0.05 1 1516 135 138 ASN HA H 4.13 0.05 1 1517 135 138 ASN HB2 H 2.85 0.05 1 1518 135 138 ASN HB3 H 3.12 0.05 1 1519 135 138 ASN HD21 H 6.30 0.05 2 1520 135 138 ASN HD22 H 7.51 0.05 2 1521 135 138 ASN C C 175.28 0.05 1 1522 135 138 ASN CA C 55.00 0.10 1 1523 135 138 ASN CB C 38.10 0.10 1 1524 135 138 ASN N N 115.30 0.10 1 1525 135 138 ASN ND2 N 114.50 0.10 1 1526 136 139 ILE H H 7.03 0.05 1 1527 136 139 ILE HA H 3.40 0.05 1 1528 136 139 ILE HB H 1.82 0.05 1 1529 136 139 ILE HG12 H 0.58 0.05 1 1530 136 139 ILE HG13 H 0.75 0.05 1 1531 136 139 ILE HG2 H 0.03 0.05 1 1532 136 139 ILE HD1 H 0.40 0.05 1 1533 136 139 ILE C C 176.50 0.05 1 1534 136 139 ILE CA C 63.60 0.10 1 1535 136 139 ILE CB C 35.50 0.10 1 1536 136 139 ILE CG1 C 29.80 0.10 1 1537 136 139 ILE CG2 C 18.20 0.10 1 1538 136 139 ILE CD1 C 13.60 0.10 1 1539 136 139 ILE N N 116.90 0.10 1 1540 137 140 LEU H H 8.88 0.05 1 1541 137 140 LEU HA H 3.83 0.05 1 1542 137 140 LEU HB2 H 1.87 0.05 1 1543 137 140 LEU HB3 H 1.49 0.05 1 1544 137 140 LEU HG H 1.36 0.05 1 1545 137 140 LEU HD1 H 0.71 0.05 1 1546 137 140 LEU HD2 H 0.52 0.05 1 1547 137 140 LEU C C 178.61 0.05 1 1548 137 140 LEU CA C 55.90 0.10 1 1549 137 140 LEU CB C 41.70 0.10 1 1550 137 140 LEU CG C 27.10 0.10 1 1551 137 140 LEU CD1 C 26.20 0.10 1 1552 137 140 LEU CD2 C 21.60 0.10 1 1553 137 140 LEU N N 118.40 0.10 1 1554 138 141 GLY H H 7.04 0.05 1 1555 138 141 GLY HA2 H 4.22 0.05 1 1556 138 141 GLY HA3 H 3.68 0.05 1 1557 138 141 GLY C C 174.08 0.05 1 1558 138 141 GLY CA C 44.50 0.10 1 1559 138 141 GLY N N 103.90 0.10 1 1560 139 142 HIS H H 7.38 0.05 1 1561 139 142 HIS HA H 3.75 0.05 1 1562 139 142 HIS HB2 H 3.02 0.05 1 1563 139 142 HIS HB3 H 3.42 0.05 1 1564 139 142 HIS HD1 H 10.40 0.05 1 1565 139 142 HIS HD2 H 6.78 0.05 1 1566 139 142 HIS HE1 H 6.80 0.05 1 1567 139 142 HIS C C 175.50 0.05 1 1568 139 142 HIS CA C 57.60 0.10 1 1569 139 142 HIS CB C 28.00 0.10 1 1570 139 142 HIS CD2 C 118.80 0.10 1 1571 139 142 HIS CE1 C 136.00 0.10 1 1572 139 142 HIS N N 117.30 0.10 1 1573 139 142 HIS ND1 N 166.00 0.10 1 1574 140 143 LYS H H 7.85 0.05 1 1575 140 143 LYS HA H 4.56 0.05 1 1576 140 143 LYS HB2 H 1.87 0.05 1 1577 140 143 LYS HB3 H 1.65 0.05 1 1578 140 143 LYS HG2 H 1.62 0.05 1 1579 140 143 LYS HG3 H 1.21 0.05 1 1580 140 143 LYS HD2 H 1.62 0.05 1 1581 140 143 LYS HD3 H 1.58 0.05 1 1582 140 143 LYS HE2 H 2.79 0.05 1 1583 140 143 LYS HE3 H 2.81 0.05 1 1584 140 143 LYS C C 175.80 0.05 1 1585 140 143 LYS CA C 54.40 0.10 1 1586 140 143 LYS CB C 33.70 0.10 1 1587 140 143 LYS CG C 25.30 0.10 1 1588 140 143 LYS CD C 28.20 0.10 1 1589 140 143 LYS CE C 41.70 0.10 1 1590 140 143 LYS N N 115.70 0.10 1 1591 141 144 LEU H H 7.17 0.05 1 1592 141 144 LEU HA H 4.68 0.05 1 1593 141 144 LEU HB2 H 1.31 0.05 1 1594 141 144 LEU HB3 H 1.51 0.05 1 1595 141 144 LEU HG H 1.60 0.05 1 1596 141 144 LEU HD1 H 0.83 0.05 1 1597 141 144 LEU HD2 H 0.45 0.05 1 1598 141 144 LEU CA C 55.00 0.10 1 1599 141 144 LEU CB C 41.90 0.10 1 1600 141 144 LEU CG C 28.30 0.10 1 1601 141 144 LEU CD1 C 24.50 0.10 1 1602 141 144 LEU CD2 C 25.90 0.10 1 1603 141 144 LEU N N 119.90 0.10 1 1604 142 145 GLU HA H 4.28 0.05 1 1605 142 145 GLU HB2 H 2.05 0.05 1 1606 142 145 GLU HB3 H 1.99 0.05 1 1607 142 145 GLU HG2 H 2.32 0.05 1 1608 142 145 GLU HG3 H 2.30 0.05 1 1609 142 145 GLU C C 175.91 0.05 1 1610 142 145 GLU CA C 55.90 0.10 1 1611 142 145 GLU CB C 29.20 0.10 1 1612 142 145 GLU CG C 36.20 0.10 1 1613 143 146 TYR H H 8.54 0.05 1 1614 143 146 TYR HA H 4.64 0.05 1 1615 143 146 TYR HB2 H 2.87 0.05 1 1616 143 146 TYR HB3 H 2.80 0.05 1 1617 143 146 TYR HD1 H 7.18 0.05 1 1618 143 146 TYR HD2 H 7.18 0.05 1 1619 143 146 TYR HE1 H 6.59 0.05 1 1620 143 146 TYR HE2 H 6.59 0.05 1 1621 143 146 TYR C C 175.60 0.05 1 1622 143 146 TYR CA C 56.60 0.10 1 1623 143 146 TYR CB C 38.10 0.10 1 1624 143 146 TYR CD1 C 133.30 0.10 1 1625 143 146 TYR CD2 C 133.30 0.10 1 1626 143 146 TYR CE1 C 118.20 0.10 1 1627 143 146 TYR CE2 C 118.20 0.10 1 1628 143 146 TYR N N 127.20 0.10 1 1629 144 147 ASN H H 7.98 0.05 1 1630 144 147 ASN HA H 4.87 0.05 1 1631 144 147 ASN HB2 H 2.98 0.05 1 1632 144 147 ASN HB3 H 3.31 0.05 1 1633 144 147 ASN HD21 H 7.36 0.05 2 1634 144 147 ASN HD22 H 6.63 0.05 2 1635 144 147 ASN CA C 55.10 0.10 1 1636 144 147 ASN CB C 38.30 0.10 1 1637 144 147 ASN N N 122.20 0.10 1 1638 144 147 ASN ND2 N 112.70 0.10 1 1639 145 148 TYR H H 8.34 0.05 1 1640 145 148 TYR HA H 4.94 0.05 1 1641 145 148 TYR HB2 H 2.55 0.05 1 1642 145 148 TYR HB3 H 2.71 0.05 1 1643 145 148 TYR HD1 H 7.18 0.05 1 1644 145 148 TYR HD2 H 7.18 0.05 1 1645 145 148 TYR HE1 H 6.82 0.05 1 1646 145 148 TYR HE2 H 6.82 0.05 1 1647 145 148 TYR C C 172.64 0.05 1 1648 145 148 TYR CA C 55.20 0.10 1 1649 145 148 TYR CB C 42.10 0.10 1 1650 145 148 TYR CD1 C 133.00 0.10 1 1651 145 148 TYR CD2 C 133.00 0.10 1 1652 145 148 TYR CE1 C 118.70 0.10 1 1653 145 148 TYR CE2 C 118.70 0.10 1 1654 145 148 TYR N N 119.40 0.10 1 1655 146 149 ASN H H 7.78 0.05 1 1656 146 149 ASN HA H 5.04 0.05 1 1657 146 149 ASN HB2 H 2.72 0.05 1 1658 146 149 ASN HB3 H 2.54 0.05 1 1659 146 149 ASN HD21 H 7.32 0.05 2 1660 146 149 ASN HD22 H 6.66 0.05 2 1661 146 149 ASN CA C 52.60 0.10 1 1662 146 149 ASN CB C 42.80 0.10 1 1663 146 149 ASN N N 115.40 0.10 1 1664 146 149 ASN ND2 N 113.70 0.10 1 1665 147 150 SER HA H 4.45 0.05 1 1666 147 150 SER HB2 H 3.70 0.05 1 1667 147 150 SER HB3 H 3.89 0.05 1 1668 147 150 SER C C 175.70 0.05 1 1669 147 150 SER CA C 57.20 0.10 1 1670 147 150 SER CB C 63.70 0.10 1 1671 148 151 HIS H H 8.42 0.05 1 1672 148 151 HIS HA H 5.07 0.05 1 1673 148 151 HIS HB2 H 2.83 0.05 1 1674 148 151 HIS HB3 H 2.94 0.05 1 1675 148 151 HIS HD1 H 12.58 0.05 1 1676 148 151 HIS HD2 H 6.91 0.05 1 1677 148 151 HIS HE1 H 7.63 0.05 1 1678 148 151 HIS C C 172.80 0.05 1 1679 148 151 HIS CA C 55.70 0.10 1 1680 148 151 HIS CB C 31.80 0.10 1 1681 148 151 HIS CD2 C 120.40 0.10 1 1682 148 151 HIS CE1 C 139.00 0.10 1 1683 148 151 HIS N N 118.60 0.10 1 1684 148 151 HIS ND1 N 168.20 0.10 1 1685 149 152 ASN H H 8.54 0.05 1 1686 149 152 ASN HA H 5.45 0.05 1 1687 149 152 ASN HB2 H 2.70 0.05 1 1688 149 152 ASN HB3 H 2.70 0.05 1 1689 149 152 ASN HD21 H 6.58 0.05 2 1690 149 152 ASN HD22 H 7.43 0.05 2 1691 149 152 ASN CA C 52.60 0.10 1 1692 149 152 ASN CB C 39.80 0.10 1 1693 149 152 ASN N N 126.90 0.10 1 1694 149 152 ASN ND2 N 111.20 0.10 1 1695 150 153 VAL HA H 3.80 0.05 1 1696 150 153 VAL HB H 1.36 0.05 1 1697 150 153 VAL HG1 H 0.52 0.05 1 1698 150 153 VAL HG2 H 0.33 0.05 1 1699 150 153 VAL C C 174.70 0.05 1 1700 150 153 VAL CA C 60.90 0.10 1 1701 150 153 VAL CB C 31.90 0.10 1 1702 150 153 VAL CG1 C 21.60 0.10 1 1703 150 153 VAL CG2 C 21.60 0.10 1 1704 151 154 TYR H H 7.81 0.05 1 1705 151 154 TYR HA H 4.23 0.05 1 1706 151 154 TYR HB2 H 3.15 0.05 1 1707 151 154 TYR HB3 H 3.00 0.05 1 1708 151 154 TYR HD1 H 7.19 0.05 1 1709 151 154 TYR HD2 H 7.19 0.05 1 1710 151 154 TYR HE1 H 6.58 0.05 1 1711 151 154 TYR HE2 H 6.58 0.05 1 1712 151 154 TYR C C 174.74 0.05 1 1713 151 154 TYR CA C 60.30 0.10 1 1714 151 154 TYR CB C 38.30 0.10 1 1715 151 154 TYR CD1 C 133.50 0.10 1 1716 151 154 TYR CD2 C 133.50 0.10 1 1717 151 154 TYR CE1 C 118.00 0.10 1 1718 151 154 TYR CE2 C 118.00 0.10 1 1719 151 154 TYR N N 127.10 0.10 1 1720 152 155 ILE H H 8.63 0.05 1 1721 152 155 ILE HA H 4.40 0.05 1 1722 152 155 ILE HB H 1.58 0.05 1 1723 152 155 ILE HG12 H 1.18 0.05 1 1724 152 155 ILE HG13 H 1.42 0.05 1 1725 152 155 ILE HG2 H 0.66 0.05 1 1726 152 155 ILE HD1 H -0.04 0.05 1 1727 152 155 ILE C C 174.70 0.05 1 1728 152 155 ILE CA C 61.00 0.10 1 1729 152 155 ILE CB C 41.90 0.10 1 1730 152 155 ILE CG1 C 27.40 0.10 1 1731 152 155 ILE CG2 C 18.10 0.10 1 1732 152 155 ILE CD1 C 14.70 0.10 1 1733 152 155 ILE N N 124.30 0.10 1 1734 153 156 MET H H 8.63 0.05 1 1735 153 156 MET HA H 4.75 0.05 1 1736 153 156 MET HB2 H 2.03 0.05 1 1737 153 156 MET HB3 H 2.04 0.05 1 1738 153 156 MET HG2 H 2.42 0.05 1 1739 153 156 MET HG3 H 2.66 0.05 1 1740 153 156 MET HE H 2.10 0.05 1 1741 153 156 MET C C 174.38 0.05 1 1742 153 156 MET CA C 53.60 0.10 1 1743 153 156 MET CB C 36.95 0.10 1 1744 153 156 MET CG C 30.70 0.10 1 1745 153 156 MET CE C 16.90 0.10 1 1746 153 156 MET N N 124.20 0.10 1 1747 154 157 ALA H H 9.24 0.05 1 1748 154 157 ALA HA H 4.30 0.05 1 1749 154 157 ALA HB H 1.57 0.05 1 1750 154 157 ALA C C 176.86 0.05 1 1751 154 157 ALA CA C 52.60 0.10 1 1752 154 157 ALA CB C 19.50 0.10 1 1753 154 157 ALA N N 124.20 0.10 1 1754 155 158 ASP H H 8.77 0.05 1 1755 155 158 ASP HA H 4.77 0.05 1 1756 155 158 ASP HB2 H 2.04 0.05 1 1757 155 158 ASP HB3 H 2.52 0.05 1 1758 155 158 ASP C C 176.64 0.05 1 1759 155 158 ASP CA C 52.00 0.10 1 1760 155 158 ASP CB C 40.90 0.10 1 1761 155 158 ASP N N 123.10 0.10 1 1762 156 159 LYS H H 8.80 0.05 1 1763 156 159 LYS HA H 4.30 0.05 1 1764 156 159 LYS HB2 H 1.90 0.05 1 1765 156 159 LYS HB3 H 1.89 0.05 1 1766 156 159 LYS HG2 H 1.62 0.05 1 1767 156 159 LYS HG3 H 1.62 0.05 1 1768 156 159 LYS HD2 H 1.70 0.05 1 1769 156 159 LYS HD3 H 1.70 0.05 1 1770 156 159 LYS HE2 H 3.00 0.05 1 1771 156 159 LYS HE3 H 3.03 0.05 1 1772 156 159 LYS C C 179.25 0.05 1 1773 156 159 LYS CA C 59.00 0.10 1 1774 156 159 LYS CB C 32.00 0.10 1 1775 156 159 LYS CG C 25.30 0.10 1 1776 156 159 LYS CD C 28.90 0.10 1 1777 156 159 LYS CE C 42.10 0.10 1 1778 156 159 LYS N N 124.30 0.10 1 1779 157 160 GLN H H 7.86 0.05 1 1780 157 160 GLN HA H 4.13 0.05 1 1781 157 160 GLN HB2 H 2.10 0.05 1 1782 157 160 GLN HB3 H 2.13 0.05 1 1783 157 160 GLN HG2 H 2.41 0.05 1 1784 157 160 GLN HG3 H 2.41 0.05 1 1785 157 160 GLN HE21 H 7.35 0.05 1 1786 157 160 GLN HE22 H 6.64 0.05 1 1787 157 160 GLN C C 177.31 0.05 1 1788 157 160 GLN CA C 57.80 0.10 1 1789 157 160 GLN CB C 28.30 0.10 1 1790 157 160 GLN CG C 34.00 0.10 1 1791 157 160 GLN N N 119.40 0.10 1 1792 157 160 GLN NE2 N 112.60 0.10 1 1793 158 161 LYS H H 7.15 0.05 1 1794 158 161 LYS HA H 4.30 0.05 1 1795 158 161 LYS HB2 H 1.92 0.05 1 1796 158 161 LYS HB3 H 1.92 0.05 1 1797 158 161 LYS HG2 H 1.40 0.05 1 1798 158 161 LYS HG3 H 1.23 0.05 1 1799 158 161 LYS HD2 H 1.60 0.05 1 1800 158 161 LYS HD3 H 1.60 0.05 1 1801 158 161 LYS C C 175.73 0.05 1 1802 158 161 LYS CA C 54.48 0.10 1 1803 158 161 LYS CB C 32.50 0.10 1 1804 158 161 LYS CG C 25.00 0.10 1 1805 158 161 LYS CD C 28.30 0.10 1 1806 158 161 LYS N N 116.70 0.10 1 1807 159 162 ASN H H 7.87 0.05 1 1808 159 162 ASN HA H 4.25 0.05 1 1809 159 162 ASN HB2 H 2.50 0.05 1 1810 159 162 ASN HB3 H 3.30 0.05 1 1811 159 162 ASN HD21 H 6.60 0.05 2 1812 159 162 ASN HD22 H 7.46 0.05 2 1813 159 162 ASN C C 172.30 0.05 1 1814 159 162 ASN CA C 53.65 0.10 1 1815 159 162 ASN CB C 37.80 0.10 1 1816 159 162 ASN N N 119.40 0.10 1 1817 159 162 ASN ND2 N 112.00 0.10 1 1818 160 163 GLY H H 7.16 0.05 1 1819 160 163 GLY HA2 H 4.06 0.05 1 1820 160 163 GLY HA3 H 3.97 0.05 1 1821 160 163 GLY C C 172.85 0.05 1 1822 160 163 GLY CA C 44.60 0.10 1 1823 160 163 GLY N N 100.40 0.10 1 1824 161 164 ILE H H 7.61 0.05 1 1825 161 164 ILE HA H 4.91 0.05 1 1826 161 164 ILE HB H 1.55 0.05 1 1827 161 164 ILE HG12 H 1.03 0.05 1 1828 161 164 ILE HG13 H 0.83 0.05 1 1829 161 164 ILE HG2 H 0.09 0.05 1 1830 161 164 ILE HD1 H 0.34 0.05 1 1831 161 164 ILE C C 174.43 0.05 1 1832 161 164 ILE CA C 58.50 0.10 1 1833 161 164 ILE CB C 42.10 0.10 1 1834 161 164 ILE CG1 C 24.20 0.10 1 1835 161 164 ILE CG2 C 17.90 0.10 1 1836 161 164 ILE CD1 C 12.20 0.10 1 1837 161 164 ILE N N 111.10 0.10 1 1838 162 165 LYS H H 9.03 0.05 1 1839 162 165 LYS HA H 5.08 0.05 1 1840 162 165 LYS HB2 H 1.72 0.05 1 1841 162 165 LYS HB3 H 1.84 0.05 1 1842 162 165 LYS HG2 H 1.42 0.05 1 1843 162 165 LYS HG3 H 1.42 0.05 1 1844 162 165 LYS HD2 H 1.43 0.05 1 1845 162 165 LYS HD3 H 1.43 0.05 1 1846 162 165 LYS HE2 H 2.90 0.05 1 1847 162 165 LYS HE3 H 3.04 0.05 1 1848 162 165 LYS C C 174.84 0.05 1 1849 162 165 LYS CA C 54.70 0.10 1 1850 162 165 LYS CB C 35.10 0.10 1 1851 162 165 LYS CG C 25.00 0.10 1 1852 162 165 LYS CD C 29.60 0.10 1 1853 162 165 LYS CE C 41.80 0.10 1 1854 162 165 LYS N N 123.30 0.10 1 1855 163 166 VAL H H 8.81 0.05 1 1856 163 166 VAL HA H 5.47 0.05 1 1857 163 166 VAL HB H 1.83 0.05 1 1858 163 166 VAL HG1 H 1.06 0.05 1 1859 163 166 VAL HG2 H 0.86 0.05 1 1860 163 166 VAL C C 174.71 0.05 1 1861 163 166 VAL CA C 59.30 0.10 1 1862 163 166 VAL CB C 35.10 0.10 1 1863 163 166 VAL CG1 C 21.50 0.10 1 1864 163 166 VAL CG2 C 21.65 0.10 1 1865 163 166 VAL N N 124.96 0.10 1 1866 164 167 ASN H H 8.91 0.05 1 1867 164 167 ASN HA H 5.45 0.05 1 1868 164 167 ASN HB2 H 2.52 0.05 1 1869 164 167 ASN HB3 H 2.69 0.05 1 1870 164 167 ASN HD21 H 7.31 0.05 2 1871 164 167 ASN HD22 H 6.67 0.05 2 1872 164 167 ASN C C 173.55 0.05 1 1873 164 167 ASN CA C 52.60 0.10 1 1874 164 167 ASN CB C 42.10 0.10 1 1875 164 167 ASN N N 125.20 0.10 1 1876 164 167 ASN ND2 N 113.65 0.10 1 1877 165 168 PHE H H 7.80 0.05 1 1878 165 168 PHE HA H 5.07 0.05 1 1879 165 168 PHE HB2 H 2.85 0.05 1 1880 165 168 PHE HB3 H 3.24 0.05 1 1881 165 168 PHE HD1 H 7.20 0.05 1 1882 165 168 PHE HD2 H 7.20 0.05 1 1883 165 168 PHE HE1 H 6.98 0.05 1 1884 165 168 PHE HE2 H 6.98 0.05 1 1885 165 168 PHE HZ H 6.42 0.05 1 1886 165 168 PHE C C 172.47 0.05 1 1887 165 168 PHE CA C 56.50 0.10 1 1888 165 168 PHE CB C 39.30 0.10 1 1889 165 168 PHE CD1 C 133.20 0.10 1 1890 165 168 PHE CD2 C 133.20 0.10 1 1891 165 168 PHE CE1 C 130.70 0.10 1 1892 165 168 PHE CE2 C 130.70 0.10 1 1893 165 168 PHE CZ C 127.10 0.10 1 1894 165 168 PHE N N 115.50 0.10 1 1895 166 169 LYS H H 8.63 0.05 1 1896 166 169 LYS HA H 4.90 0.05 1 1897 166 169 LYS HB2 H 1.71 0.05 1 1898 166 169 LYS HB3 H 1.67 0.05 1 1899 166 169 LYS HG2 H 1.42 0.05 1 1900 166 169 LYS HG3 H 1.52 0.05 1 1901 166 169 LYS HD2 H 1.60 0.05 1 1902 166 169 LYS HD3 H 1.65 0.05 1 1903 166 169 LYS HE2 H 2.93 0.05 1 1904 166 169 LYS HE3 H 2.93 0.05 1 1905 166 169 LYS C C 174.80 0.05 1 1906 166 169 LYS CA C 54.60 0.10 1 1907 166 169 LYS CB C 34.30 0.10 1 1908 166 169 LYS CG C 24.80 0.10 1 1909 166 169 LYS CD C 28.90 0.10 1 1910 166 169 LYS CE C 42.20 0.10 1 1911 166 169 LYS N N 120.50 0.10 1 1912 167 170 ILE H H 7.98 0.05 1 1913 167 170 ILE HA H 4.43 0.05 1 1914 167 170 ILE HB H 1.65 0.05 1 1915 167 170 ILE HG12 H 1.17 0.05 1 1916 167 170 ILE HG13 H 1.50 0.05 1 1917 167 170 ILE HG2 H 0.97 0.05 1 1918 167 170 ILE HD1 H 0.78 0.05 1 1919 167 170 ILE CA C 59.70 0.10 1 1920 167 170 ILE CB C 39.40 0.10 1 1921 167 170 ILE CG1 C 26.90 0.10 1 1922 167 170 ILE CG2 C 16.90 0.10 1 1923 167 170 ILE CD1 C 14.45 0.10 1 1924 167 170 ILE N N 124.60 0.10 1 1925 168 171 ARG H H 8.62 0.05 1 1926 168 171 ARG HA H 4.43 0.05 1 1927 168 171 ARG HB2 H 2.06 0.05 1 1928 168 171 ARG HB3 H 1.89 0.05 1 1929 168 171 ARG HG2 H 1.66 0.05 1 1930 168 171 ARG HG3 H 1.50 0.05 1 1931 168 171 ARG HD2 H 3.00 0.05 1 1932 168 171 ARG HD3 H 2.47 0.05 1 1933 168 171 ARG CA C 54.80 0.10 1 1934 168 171 ARG CB C 32.60 0.10 1 1935 168 171 ARG CG C 26.50 0.10 1 1936 168 171 ARG CD C 42.10 0.10 1 1937 168 171 ARG N N 124.30 0.10 1 1938 169 172 HIS H H 8.60 0.05 1 1939 169 172 HIS HA H 4.94 0.05 1 1940 169 172 HIS HB2 H 2.83 0.05 1 1941 169 172 HIS HB3 H 3.06 0.05 1 1942 169 172 HIS HD1 H 11.46 0.05 1 1943 169 172 HIS HD2 H 6.75 0.05 1 1944 169 172 HIS HE1 H 7.75 0.05 1 1945 169 172 HIS C C 174.22 0.05 1 1946 169 172 HIS CA C 54.10 0.10 1 1947 169 172 HIS CB C 31.60 0.10 1 1948 169 172 HIS CD2 C 118.20 0.10 1 1949 169 172 HIS CE1 C 139.90 0.10 1 1950 169 172 HIS N N 124.60 0.10 1 1951 169 172 HIS ND1 N 166.00 0.10 1 1952 170 173 ASN H H 9.14 0.05 1 1953 170 173 ASN HA H 4.80 0.05 1 1954 170 173 ASN HB2 H 2.85 0.05 1 1955 170 173 ASN HB3 H 3.05 0.05 1 1956 170 173 ASN HD21 H 7.50 0.05 2 1957 170 173 ASN HD22 H 6.30 0.05 2 1958 170 173 ASN CA C 54.50 0.10 1 1959 170 173 ASN CB C 38.60 0.10 1 1960 170 173 ASN N N 126.10 0.10 1 1961 170 173 ASN ND2 N 114.40 0.10 1 1962 171 174 ILE HA H 4.98 0.05 1 1963 171 174 ILE HB H 1.63 0.05 1 1964 171 174 ILE HG12 H 1.18 0.05 1 1965 171 174 ILE HG13 H 1.32 0.05 1 1966 171 174 ILE HG2 H 0.94 0.05 1 1967 171 174 ILE HD1 H 0.65 0.05 1 1968 171 174 ILE C C 177.35 0.05 1 1969 171 174 ILE CA C 58.70 0.10 1 1970 171 174 ILE CB C 39.40 0.10 1 1971 171 174 ILE CG1 C 27.30 0.10 1 1972 171 174 ILE CG2 C 19.10 0.10 1 1973 171 174 ILE CD1 C 12.20 0.10 1 1974 172 175 GLU H H 8.45 0.05 1 1975 172 175 GLU HA H 4.28 0.05 1 1976 172 175 GLU HB2 H 2.05 0.05 1 1977 172 175 GLU HB3 H 2.06 0.05 1 1978 172 175 GLU HG2 H 2.16 0.05 1 1979 172 175 GLU HG3 H 2.29 0.05 1 1980 172 175 GLU C C 175.78 0.05 1 1981 172 175 GLU CA C 58.50 0.10 1 1982 172 175 GLU CB C 29.20 0.10 1 1983 172 175 GLU CG C 35.20 0.10 1 1984 172 175 GLU N N 125.30 0.10 1 1985 173 176 ASP H H 7.32 0.05 1 1986 173 176 ASP HA H 4.53 0.05 1 1987 173 176 ASP HB2 H 2.82 0.05 1 1988 173 176 ASP HB3 H 2.64 0.05 1 1989 173 176 ASP C C 177.25 0.05 1 1990 173 176 ASP CA C 53.30 0.10 1 1991 173 176 ASP CB C 39.90 0.10 1 1992 173 176 ASP N N 118.90 0.10 1 1993 174 177 GLY H H 8.22 0.05 1 1994 174 177 GLY HA2 H 3.81 0.05 1 1995 174 177 GLY HA3 H 4.32 0.05 1 1996 174 177 GLY C C 174.64 0.05 1 1997 174 177 GLY CA C 44.90 0.10 1 1998 174 177 GLY N N 109.70 0.10 1 1999 175 178 SER H H 8.01 0.05 1 2000 175 178 SER HA H 4.52 0.05 1 2001 175 178 SER HB2 H 3.88 0.05 1 2002 175 178 SER HB3 H 3.71 0.05 1 2003 175 178 SER C C 172.87 0.05 1 2004 175 178 SER CA C 57.40 0.10 1 2005 175 178 SER CB C 63.80 0.10 1 2006 175 178 SER N N 118.25 0.10 1 2007 176 179 VAL H H 8.15 0.05 1 2008 176 179 VAL HA H 4.82 0.05 1 2009 176 179 VAL HB H 1.80 0.05 1 2010 176 179 VAL HG1 H 0.85 0.05 1 2011 176 179 VAL HG2 H 0.77 0.05 1 2012 176 179 VAL C C 175.13 0.05 1 2013 176 179 VAL CA C 60.40 0.10 1 2014 176 179 VAL CB C 35.40 0.10 1 2015 176 179 VAL CG1 C 20.90 0.10 1 2016 176 179 VAL CG2 C 21.30 0.10 1 2017 176 179 VAL N N 117.40 0.10 1 2018 177 180 GLN H H 9.32 0.05 1 2019 177 180 GLN HA H 4.85 0.05 1 2020 177 180 GLN HB2 H 2.03 0.05 1 2021 177 180 GLN HB3 H 2.20 0.05 1 2022 177 180 GLN HG2 H 2.40 0.05 1 2023 177 180 GLN HG3 H 2.40 0.05 1 2024 177 180 GLN HE21 H 7.32 0.05 1 2025 177 180 GLN HE22 H 6.67 0.05 1 2026 177 180 GLN C C 174.60 0.05 1 2027 177 180 GLN CA C 52.40 0.10 1 2028 177 180 GLN CB C 33.80 0.10 1 2029 177 180 GLN N N 128.40 0.10 1 2030 177 180 GLN NE2 N 113.65 0.10 1 2031 178 181 LEU H H 8.94 0.05 1 2032 178 181 LEU HA H 5.12 0.05 1 2033 178 181 LEU HB2 H 1.52 0.05 1 2034 178 181 LEU HB3 H 1.53 0.05 1 2035 178 181 LEU HG H 1.67 0.05 1 2036 178 181 LEU HD1 H 0.84 0.05 1 2037 178 181 LEU HD2 H 0.91 0.05 1 2038 178 181 LEU C C 178.63 0.05 1 2039 178 181 LEU CA C 53.90 0.10 1 2040 178 181 LEU CB C 44.80 0.10 1 2041 178 181 LEU CG C 27.50 0.10 1 2042 178 181 LEU CD1 C 24.20 0.10 1 2043 178 181 LEU CD2 C 25.10 0.10 1 2044 178 181 LEU N N 131.60 0.10 1 2045 179 182 ALA H H 9.05 0.05 1 2046 179 182 ALA HA H 4.88 0.05 1 2047 179 182 ALA HB H 0.77 0.05 1 2048 179 182 ALA C C 177.31 0.05 1 2049 179 182 ALA CA C 49.90 0.10 1 2050 179 182 ALA CB C 21.70 0.10 1 2051 179 182 ALA N N 126.25 0.10 1 2052 180 183 ASP H H 8.92 0.05 1 2053 180 183 ASP HA H 4.66 0.05 1 2054 180 183 ASP HB2 H 2.87 0.05 1 2055 180 183 ASP HB3 H 3.01 0.05 1 2056 180 183 ASP C C 175.11 0.05 1 2057 180 183 ASP CA C 55.10 0.10 1 2058 180 183 ASP CB C 42.10 0.10 1 2059 180 183 ASP N N 132.90 0.10 1 2060 181 184 HIS H H 9.06 0.05 1 2061 181 184 HIS HA H 4.41 0.05 1 2062 181 184 HIS HB2 H 2.39 0.05 1 2063 181 184 HIS HB3 H 2.05 0.05 1 2064 181 184 HIS HD1 H 9.67 0.05 1 2065 181 184 HIS HD2 H 6.78 0.05 1 2066 181 184 HIS HE1 H 7.21 0.05 1 2067 181 184 HIS C C 173.50 0.05 1 2068 181 184 HIS CA C 55.80 0.10 1 2069 181 184 HIS CB C 32.10 0.10 1 2070 181 184 HIS CD2 C 118.80 0.10 1 2071 181 184 HIS CE1 C 138.40 0.10 1 2072 181 184 HIS N N 123.85 0.10 1 2073 181 184 HIS ND1 N 160.60 0.10 1 2074 182 185 TYR H H 8.49 0.05 1 2075 182 185 TYR HA H 4.72 0.05 1 2076 182 185 TYR HB2 H 3.05 0.05 1 2077 182 185 TYR HB3 H 3.02 0.05 1 2078 182 185 TYR HD1 H 7.19 0.05 1 2079 182 185 TYR HD2 H 7.19 0.05 1 2080 182 185 TYR HE1 H 6.75 0.05 1 2081 182 185 TYR HE2 H 6.75 0.05 1 2082 182 185 TYR C C 174.90 0.05 1 2083 182 185 TYR CA C 57.60 0.10 1 2084 182 185 TYR CB C 39.30 0.10 1 2085 182 185 TYR CD1 C 133.20 0.10 1 2086 182 185 TYR CD2 C 133.20 0.10 1 2087 182 185 TYR CE1 C 118.30 0.10 1 2088 182 185 TYR CE2 C 118.30 0.10 1 2089 182 185 TYR N N 123.50 0.10 1 2090 183 186 GLN H H 8.68 0.05 1 2091 183 186 GLN HA H 5.73 0.05 1 2092 183 186 GLN HB2 H 1.66 0.05 1 2093 183 186 GLN HB3 H 1.92 0.05 1 2094 183 186 GLN HG2 H 2.38 0.05 1 2095 183 186 GLN HG3 H 2.38 0.05 1 2096 183 186 GLN HE21 H 7.35 0.05 1 2097 183 186 GLN HE22 H 6.63 0.05 1 2098 183 186 GLN C C 173.60 0.05 1 2099 183 186 GLN CA C 52.60 0.10 1 2100 183 186 GLN CB C 33.50 0.10 1 2101 183 186 GLN CG C 33.70 0.10 1 2102 183 186 GLN N N 126.75 0.10 1 2103 183 186 GLN NE2 N 112.30 0.10 1 2104 184 187 GLN H H 9.11 0.05 1 2105 184 187 GLN HA H 5.24 0.05 1 2106 184 187 GLN HB2 H 2.14 0.05 1 2107 184 187 GLN HB3 H 2.10 0.05 1 2108 184 187 GLN HG2 H 2.40 0.05 1 2109 184 187 GLN HG3 H 2.40 0.05 1 2110 184 187 GLN HE21 H 7.34 0.05 1 2111 184 187 GLN HE22 H 6.72 0.05 1 2112 184 187 GLN C C 174.82 0.05 1 2113 184 187 GLN CA C 54.40 0.10 1 2114 184 187 GLN CB C 33.00 0.10 1 2115 184 187 GLN CG C 33.90 0.10 1 2116 184 187 GLN N N 126.50 0.10 1 2117 184 187 GLN NE2 N 112.65 0.10 1 2118 185 188 ASN H H 8.40 0.05 1 2119 185 188 ASN HA H 6.38 0.05 1 2120 185 188 ASN HB2 H 2.37 0.05 1 2121 185 188 ASN HB3 H 2.95 0.05 1 2122 185 188 ASN HD21 H 7.61 0.05 2 2123 185 188 ASN HD22 H 6.83 0.05 2 2124 185 188 ASN C C 174.04 0.05 1 2125 185 188 ASN CA C 51.40 0.10 1 2126 185 188 ASN CB C 41.50 0.10 1 2127 185 188 ASN N N 121.35 0.10 1 2128 185 188 ASN ND2 N 111.40 0.10 1 2129 186 189 THR H H 8.53 0.05 1 2130 186 189 THR HA H 5.00 0.05 1 2131 186 189 THR HB H 4.22 0.05 1 2132 186 189 THR HG2 H 1.36 0.05 1 2133 186 189 THR C C 171.60 0.05 1 2134 186 189 THR CA C 57.90 0.10 1 2135 186 189 THR CB C 70.90 0.10 1 2136 186 189 THR CG2 C 22.30 0.10 1 2137 186 189 THR N N 114.50 0.10 1 2138 187 190 PRO HA H 4.82 0.05 1 2139 187 190 PRO HB2 H 2.43 0.05 1 2140 187 190 PRO HB3 H 2.07 0.05 1 2141 187 190 PRO HG2 H 2.00 0.05 1 2142 187 190 PRO HG3 H 2.00 0.05 1 2143 187 190 PRO HD2 H 3.83 0.05 2 2144 187 190 PRO HD3 H 3.83 0.05 2 2145 187 190 PRO C C 177.20 0.05 1 2146 187 190 PRO CA C 63.00 0.10 1 2147 187 190 PRO CB C 32.20 0.10 1 2148 187 190 PRO CG C 27.00 0.10 1 2149 187 190 PRO CD C 50.69 0.10 1 2150 188 191 ILE H H 8.77 0.05 1 2151 188 191 ILE HA H 3.86 0.05 1 2152 188 191 ILE HB H 1.96 0.05 1 2153 188 191 ILE HG12 H 1.53 0.05 1 2154 188 191 ILE HG13 H 1.08 0.05 1 2155 188 191 ILE HG2 H 0.84 0.05 1 2156 188 191 ILE HD1 H 0.89 0.05 1 2157 188 191 ILE C C 177.85 0.05 1 2158 188 191 ILE CA C 63.60 0.10 1 2159 188 191 ILE CB C 36.90 0.10 1 2160 188 191 ILE CG1 C 26.70 0.10 1 2161 188 191 ILE CG2 C 16.90 0.10 1 2162 188 191 ILE CD1 C 12.90 0.10 1 2163 188 191 ILE N N 125.25 0.10 1 2164 189 192 GLY H H 9.30 0.05 1 2165 189 192 GLY HA2 H 3.84 0.05 1 2166 189 192 GLY HA3 H 4.25 0.05 1 2167 189 192 GLY C C 173.75 0.05 1 2168 189 192 GLY CA C 43.70 0.10 1 2169 189 192 GLY N N 110.76 0.10 1 2170 190 193 ASP H H 8.32 0.05 1 2171 190 193 ASP HA H 4.76 0.05 1 2172 190 193 ASP HB2 H 2.76 0.05 1 2173 190 193 ASP HB3 H 2.65 0.05 1 2174 190 193 ASP C C 177.40 0.05 1 2175 190 193 ASP CA C 53.26 0.10 1 2176 190 193 ASP CB C 41.35 0.10 1 2177 190 193 ASP N N 117.85 0.10 1 2178 191 194 GLY H H 8.33 0.05 1 2179 191 194 GLY HA2 H 4.24 0.05 1 2180 191 194 GLY HA3 H 3.83 0.05 1 2181 191 194 GLY C C 171.70 0.05 1 2182 191 194 GLY CA C 44.30 0.10 1 2183 191 194 GLY N N 110.60 0.10 1 2184 192 195 PRO HA H 4.47 0.05 1 2185 192 195 PRO HB2 H 1.85 0.05 1 2186 192 195 PRO HB3 H 2.23 0.05 1 2187 192 195 PRO HG2 H 2.02 0.05 1 2188 192 195 PRO HG3 H 2.17 0.05 1 2189 192 195 PRO HD2 H 3.63 0.05 2 2190 192 195 PRO HD3 H 3.62 0.05 2 2191 192 195 PRO C C 177.04 0.05 1 2192 192 195 PRO CA C 62.60 0.10 1 2193 192 195 PRO CB C 31.70 0.10 1 2194 192 195 PRO CG C 27.20 0.10 1 2195 192 195 PRO CD C 50.90 0.10 1 2196 193 196 VAL H H 7.97 0.05 1 2197 193 196 VAL HA H 4.31 0.05 1 2198 193 196 VAL HB H 1.89 0.05 1 2199 193 196 VAL HG1 H 0.73 0.05 1 2200 193 196 VAL HG2 H 0.95 0.05 1 2201 193 196 VAL C C 175.40 0.05 1 2202 193 196 VAL CA C 58.40 0.10 1 2203 193 196 VAL CB C 32.60 0.10 1 2204 193 196 VAL CG1 C 21.70 0.10 1 2205 193 196 VAL CG2 C 21.80 0.10 1 2206 193 196 VAL N N 116.30 0.10 1 2207 194 197 LEU H H 7.95 0.05 1 2208 194 197 LEU HA H 4.23 0.05 1 2209 194 197 LEU HB2 H 1.61 0.05 1 2210 194 197 LEU HB3 H 1.07 0.05 1 2211 194 197 LEU HG H 1.52 0.05 1 2212 194 197 LEU HD1 H 0.83 0.05 1 2213 194 197 LEU HD2 H 0.68 0.05 1 2214 194 197 LEU C C 174.80 0.05 1 2215 194 197 LEU CA C 53.20 0.10 1 2216 194 197 LEU CB C 40.70 0.10 1 2217 194 197 LEU CG C 26.70 0.10 1 2218 194 197 LEU CD1 C 24.30 0.10 1 2219 194 197 LEU CD2 C 25.40 0.10 1 2220 194 197 LEU N N 122.60 0.10 1 2221 195 198 LEU H H 7.97 0.05 1 2222 195 198 LEU HA H 4.87 0.05 1 2223 195 198 LEU HB2 H 1.52 0.05 1 2224 195 198 LEU HB3 H 1.68 0.05 1 2225 195 198 LEU HG H 1.66 0.05 1 2226 195 198 LEU HD1 H 0.98 0.05 1 2227 195 198 LEU HD2 H 0.75 0.05 1 2228 195 198 LEU C C 176.18 0.05 1 2229 195 198 LEU CA C 49.50 0.10 1 2230 195 198 LEU CB C 41.90 0.10 1 2231 195 198 LEU CG C 26.50 0.10 1 2232 195 198 LEU CD1 C 25.70 0.10 1 2233 195 198 LEU CD2 C 23.10 0.10 1 2234 195 198 LEU N N 122.50 0.10 1 2235 196 199 PRO HA H 5.00 0.05 1 2236 196 199 PRO HB2 H 2.68 0.05 1 2237 196 199 PRO HB3 H 2.41 0.05 1 2238 196 199 PRO HG2 H 1.88 0.05 1 2239 196 199 PRO HG3 H 2.13 0.05 1 2240 196 199 PRO C C 178.39 0.05 1 2241 196 199 PRO CA C 61.85 0.10 1 2242 196 199 PRO CB C 33.30 0.10 1 2243 196 199 PRO CG C 28.35 0.10 1 2244 197 200 ASP H H 9.37 0.05 1 2245 197 200 ASP HA H 4.83 0.05 1 2246 197 200 ASP HB2 H 2.20 0.05 1 2247 197 200 ASP HB3 H 2.70 0.05 1 2248 197 200 ASP C C 175.88 0.05 1 2249 197 200 ASP CA C 53.30 0.10 1 2250 197 200 ASP CB C 40.95 0.10 1 2251 197 200 ASP N N 121.70 0.10 1 2252 198 201 ASN H H 8.86 0.05 1 2253 198 201 ASN HA H 5.04 0.05 1 2254 198 201 ASN HB2 H 2.67 0.05 1 2255 198 201 ASN HB3 H 3.07 0.05 1 2256 198 201 ASN HD21 H 6.64 0.05 2 2257 198 201 ASN HD22 H 7.31 0.05 2 2258 198 201 ASN C C 175.60 0.05 1 2259 198 201 ASN CA C 53.66 0.10 1 2260 198 201 ASN CB C 38.80 0.10 1 2261 198 201 ASN N N 121.90 0.10 1 2262 198 201 ASN ND2 N 113.20 0.10 1 2263 199 202 HIS H H 8.37 0.05 1 2264 199 202 HIS HA H 4.91 0.05 1 2265 199 202 HIS HB2 H 2.84 0.05 1 2266 199 202 HIS HB3 H 3.05 0.05 1 2267 199 202 HIS HD1 H 11.68 0.05 1 2268 199 202 HIS HD2 H 6.46 0.05 1 2269 199 202 HIS HE1 H 7.76 0.05 1 2270 199 202 HIS C C 171.11 0.05 1 2271 199 202 HIS CA C 55.90 0.10 1 2272 199 202 HIS CB C 31.60 0.10 1 2273 199 202 HIS CD2 C 117.10 0.10 1 2274 199 202 HIS CE1 C 138.40 0.10 1 2275 199 202 HIS N N 118.40 0.10 1 2276 199 202 HIS ND1 N 167.80 0.10 1 2277 200 203 TYR H H 8.26 0.05 1 2278 200 203 TYR HA H 5.66 0.05 1 2279 200 203 TYR HB2 H 2.78 0.05 1 2280 200 203 TYR HB3 H 2.64 0.05 1 2281 200 203 TYR HD1 H 7.18 0.05 1 2282 200 203 TYR HD2 H 7.18 0.05 1 2283 200 203 TYR HE1 H 6.81 0.05 1 2284 200 203 TYR HE2 H 6.81 0.05 1 2285 200 203 TYR C C 173.05 0.05 1 2286 200 203 TYR CA C 54.70 0.10 1 2287 200 203 TYR CB C 41.54 0.10 1 2288 200 203 TYR CD1 C 133.30 0.10 1 2289 200 203 TYR CD2 C 133.30 0.10 1 2290 200 203 TYR CE1 C 118.30 0.10 1 2291 200 203 TYR CE2 C 118.30 0.10 1 2292 200 203 TYR N N 115.65 0.10 1 2293 201 204 LEU H H 8.75 0.05 1 2294 201 204 LEU HA H 4.75 0.05 1 2295 201 204 LEU HB2 H 1.27 0.05 1 2296 201 204 LEU HB3 H 1.46 0.05 1 2297 201 204 LEU HG H 1.55 0.05 1 2298 201 204 LEU HD1 H 0.78 0.05 1 2299 201 204 LEU HD2 H 0.79 0.05 1 2300 201 204 LEU CA C 51.80 0.10 1 2301 201 204 LEU CB C 42.60 0.10 1 2302 201 204 LEU CG C 27.10 0.10 1 2303 201 204 LEU CD1 C 23.90 0.10 1 2304 201 204 LEU CD2 C 23.90 0.10 1 2305 201 204 LEU N N 116.30 0.10 1 2306 202 205 SER H H 9.05 0.05 1 2307 202 205 SER HA H 5.46 0.05 1 2308 202 205 SER HB2 H 3.97 0.05 1 2309 202 205 SER HB3 H 3.85 0.05 1 2310 202 205 SER CA C 56.80 0.10 1 2311 202 205 SER CB C 65.50 0.10 1 2312 202 205 SER N N 120.70 0.10 1 2313 203 206 THR H H 8.59 0.05 1 2314 203 206 THR HA H 5.31 0.05 1 2315 203 206 THR HB H 4.04 0.05 1 2316 203 206 THR HG2 H 0.99 0.05 1 2317 203 206 THR CA C 59.50 0.10 1 2318 203 206 THR CB C 70.90 0.10 1 2319 203 206 THR CG2 C 20.20 0.10 1 2320 203 206 THR N N 124.30 0.10 1 2321 204 207 GLN H H 8.47 0.05 1 2322 204 207 GLN HA H 4.40 0.05 1 2323 204 207 GLN HB2 H 2.06 0.05 1 2324 204 207 GLN HB3 H 1.97 0.05 1 2325 204 207 GLN HG2 H 2.32 0.05 1 2326 204 207 GLN HG3 H 2.11 0.05 1 2327 204 207 GLN HE21 H 7.27 0.05 1 2328 204 207 GLN HE22 H 6.64 0.05 1 2329 204 207 GLN CA C 54.10 0.10 1 2330 204 207 GLN CB C 32.50 0.10 1 2331 204 207 GLN CG C 33.50 0.10 1 2332 204 207 GLN N N 115.80 0.10 1 2333 204 207 GLN NE2 N 113.30 0.10 1 2334 205 208 SER HA H 5.40 0.05 1 2335 205 208 SER HB2 H 3.75 0.05 1 2336 205 208 SER HB3 H 3.62 0.05 1 2337 205 208 SER C C 174.30 0.05 1 2338 205 208 SER CA C 57.80 0.10 1 2339 205 208 SER CB C 65.50 0.10 1 2340 206 209 ALA HA H 4.70 0.05 1 2341 206 209 ALA HB H 1.34 0.05 1 2342 206 209 ALA CA C 50.97 0.10 1 2343 206 209 ALA CB C 22.40 0.10 1 2344 207 210 LEU HA H 5.10 0.05 1 2345 207 210 LEU HB2 H 0.97 0.05 1 2346 207 210 LEU HB3 H 0.85 0.05 1 2347 207 210 LEU HG H 1.12 0.05 1 2348 207 210 LEU HD1 H 0.32 0.05 1 2349 207 210 LEU HD2 H 0.91 0.05 1 2350 207 210 LEU CA C 53.30 0.10 1 2351 207 210 LEU CB C 44.20 0.10 1 2352 207 210 LEU CG C 27.50 0.10 1 2353 207 210 LEU CD1 C 24.70 0.10 1 2354 207 210 LEU CD2 C 25.10 0.10 1 2355 208 211 SER HA H 5.07 0.05 1 2356 208 211 SER HB2 H 3.65 0.05 1 2357 208 211 SER HB3 H 3.98 0.05 1 2358 208 211 SER CA C 56.40 0.10 1 2359 208 211 SER CB C 65.40 0.10 1 2360 209 212 LYS HA H 4.86 0.05 1 2361 209 212 LYS HB2 H 1.44 0.05 1 2362 209 212 LYS HB3 H 1.82 0.05 1 2363 209 212 LYS HG2 H 0.82 0.05 1 2364 209 212 LYS HG3 H 1.40 0.05 1 2365 209 212 LYS HD2 H 0.97 0.05 1 2366 209 212 LYS HD3 H 0.95 0.05 1 2367 209 212 LYS HE2 H 2.48 0.05 1 2368 209 212 LYS HE3 H 2.48 0.05 1 2369 209 212 LYS C C 175.52 0.05 1 2370 209 212 LYS CA C 52.70 0.10 1 2371 209 212 LYS CB C 32.90 0.10 1 2372 209 212 LYS CG C 24.50 0.10 1 2373 209 212 LYS CD C 26.10 0.10 1 2374 209 212 LYS CE C 41.60 0.10 1 2375 210 213 ASP H H 12.71 0.05 1 2376 210 213 ASP HA H 4.97 0.05 1 2377 210 213 ASP HB2 H 2.52 0.05 1 2378 210 213 ASP HB3 H 2.36 0.05 1 2379 210 213 ASP CA C 49.90 0.10 1 2380 210 213 ASP CB C 40.70 0.10 1 2381 210 213 ASP N N 129.40 0.10 1 2382 211 214 PRO HA H 4.32 0.05 1 2383 211 214 PRO HB2 H 1.99 0.05 1 2384 211 214 PRO HB3 H 1.89 0.05 1 2385 211 214 PRO HG2 H 2.03 0.05 1 2386 211 214 PRO HG3 H 2.20 0.05 1 2387 211 214 PRO HD2 H 3.87 0.05 2 2388 211 214 PRO HD3 H 3.87 0.05 2 2389 211 214 PRO C C 177.00 0.05 1 2390 211 214 PRO CA C 63.50 0.10 1 2391 211 214 PRO CB C 32.50 0.10 1 2392 211 214 PRO CG C 27.20 0.10 1 2393 211 214 PRO CD C 50.60 0.10 1 2394 212 215 ASN H H 8.12 0.05 1 2395 212 215 ASN HA H 4.69 0.05 1 2396 212 215 ASN HB2 H 2.80 0.05 1 2397 212 215 ASN HB3 H 2.61 0.05 1 2398 212 215 ASN HD21 H 7.53 0.05 2 2399 212 215 ASN HD22 H 6.30 0.05 2 2400 212 215 ASN C C 174.36 0.05 1 2401 212 215 ASN CA C 52.50 0.10 1 2402 212 215 ASN CB C 39.10 0.10 1 2403 212 215 ASN N N 115.00 0.10 1 2404 212 215 ASN ND2 N 114.76 0.10 1 2405 213 216 GLU H H 7.43 0.05 1 2406 213 216 GLU HA H 4.07 0.05 1 2407 213 216 GLU HB2 H 1.95 0.05 1 2408 213 216 GLU HB3 H 1.65 0.05 1 2409 213 216 GLU HG2 H 2.02 0.05 1 2410 213 216 GLU HG3 H 1.87 0.05 1 2411 213 216 GLU CA C 54.30 0.10 1 2412 213 216 GLU CB C 29.30 0.10 1 2413 213 216 GLU CG C 34.80 0.10 1 2414 213 216 GLU N N 123.20 0.10 1 2415 214 217 LYS H H 9.05 0.05 1 2416 214 217 LYS HA H 4.30 0.05 1 2417 214 217 LYS HB2 H 2.03 0.05 1 2418 214 217 LYS HB3 H 1.90 0.05 1 2419 214 217 LYS HG2 H 1.41 0.05 1 2420 214 217 LYS HG3 H 1.42 0.05 1 2421 214 217 LYS HD2 H 1.59 0.05 1 2422 214 217 LYS HD3 H 1.63 0.05 1 2423 214 217 LYS HE2 H 2.98 0.05 1 2424 214 217 LYS HE3 H 3.04 0.05 1 2425 214 217 LYS C C 178.72 0.05 1 2426 214 217 LYS CA C 56.20 0.10 1 2427 214 217 LYS CB C 32.46 0.10 1 2428 214 217 LYS CG C 24.70 0.10 1 2429 214 217 LYS CD C 28.40 0.10 1 2430 214 217 LYS CE C 42.20 0.10 1 2431 214 217 LYS N N 123.20 0.10 1 2432 215 218 ARG H H 8.98 0.05 1 2433 215 218 ARG HA H 4.30 0.05 1 2434 215 218 ARG HB2 H 1.89 0.05 1 2435 215 218 ARG HB3 H 1.96 0.05 1 2436 215 218 ARG HG2 H 1.75 0.05 1 2437 215 218 ARG HG3 H 1.77 0.05 1 2438 215 218 ARG HD2 H 3.29 0.05 1 2439 215 218 ARG HD3 H 3.27 0.05 1 2440 215 218 ARG HE H 7.47 0.05 1 2441 215 218 ARG C C 175.93 0.05 1 2442 215 218 ARG CA C 55.80 0.10 1 2443 215 218 ARG CB C 32.50 0.10 1 2444 215 218 ARG CG C 29.00 0.10 1 2445 215 218 ARG CD C 43.45 0.10 1 2446 215 218 ARG N N 121.40 0.10 1 2447 215 218 ARG NE N 85.50 0.10 1 2448 216 219 ASP H H 9.23 0.05 1 2449 216 219 ASP HA H 4.92 0.05 1 2450 216 219 ASP HB2 H 3.03 0.05 1 2451 216 219 ASP HB3 H 2.92 0.05 1 2452 216 219 ASP C C 177.05 0.05 1 2453 216 219 ASP CA C 54.90 0.10 1 2454 216 219 ASP CB C 41.90 0.10 1 2455 216 219 ASP N N 126.25 0.10 1 2456 217 220 HIS H H 8.41 0.05 1 2457 217 220 HIS HA H 5.32 0.05 1 2458 217 220 HIS HB2 H 3.24 0.05 1 2459 217 220 HIS HB3 H 3.24 0.05 1 2460 217 220 HIS HD1 H 11.50 0.05 1 2461 217 220 HIS HD2 H 6.34 0.05 1 2462 217 220 HIS HE1 H 7.95 0.05 1 2463 217 220 HIS C C 169.50 0.05 1 2464 217 220 HIS CA C 56.00 0.10 1 2465 217 220 HIS CB C 32.20 0.10 1 2466 217 220 HIS CD2 C 125.86 0.10 1 2467 217 220 HIS CE1 C 139.80 0.10 1 2468 217 220 HIS N N 125.40 0.10 1 2469 217 220 HIS ND1 N 168.90 0.10 1 2470 218 221 MET H H 7.84 0.05 1 2471 218 221 MET HA H 4.71 0.05 1 2472 218 221 MET HB2 H 2.63 0.05 1 2473 218 221 MET HB3 H 2.55 0.05 1 2474 218 221 MET HG2 H 2.12 0.05 1 2475 218 221 MET HG3 H 2.30 0.05 1 2476 218 221 MET HE H 1.62 0.05 1 2477 218 221 MET C C 174.20 0.05 1 2478 218 221 MET CA C 54.30 0.10 1 2479 218 221 MET CB C 36.50 0.10 1 2480 218 221 MET CG C 32.50 0.10 1 2481 218 221 MET CE C 17.40 0.10 1 2482 218 221 MET N N 117.40 0.10 1 2483 219 222 VAL H H 7.56 0.05 1 2484 219 222 VAL HA H 4.41 0.05 1 2485 219 222 VAL HB H 1.71 0.05 1 2486 219 222 VAL HG1 H 0.78 0.05 1 2487 219 222 VAL HG2 H 0.94 0.05 1 2488 219 222 VAL CA C 61.70 0.10 1 2489 219 222 VAL CB C 32.70 0.10 1 2490 219 222 VAL CG1 C 21.60 0.10 1 2491 219 222 VAL CG2 C 21.40 0.10 1 2492 219 222 VAL N N 128.65 0.10 1 2493 220 223 LEU H H 8.63 0.05 1 2494 220 223 LEU HA H 5.07 0.05 1 2495 220 223 LEU HB2 H 1.65 0.05 1 2496 220 223 LEU HB3 H 1.52 0.05 1 2497 220 223 LEU HG H 1.50 0.05 1 2498 220 223 LEU HD1 H 0.83 0.05 1 2499 220 223 LEU HD2 H 0.33 0.05 1 2500 220 223 LEU C C 173.40 0.05 1 2501 220 223 LEU CA C 53.30 0.10 1 2502 220 223 LEU CB C 46.20 0.10 1 2503 220 223 LEU CG C 27.20 0.10 1 2504 220 223 LEU CD1 C 24.35 0.10 1 2505 220 223 LEU CD2 C 24.60 0.10 1 2506 220 223 LEU N N 129.80 0.10 1 2507 221 224 LEU H H 8.33 0.05 1 2508 221 224 LEU HA H 5.13 0.05 1 2509 221 224 LEU HB2 H 1.45 0.05 1 2510 221 224 LEU HB3 H 1.56 0.05 1 2511 221 224 LEU HG H 1.52 0.05 1 2512 221 224 LEU HD1 H 1.04 0.05 1 2513 221 224 LEU HD2 H 0.91 0.05 1 2514 221 224 LEU CA C 53.30 0.10 1 2515 221 224 LEU CB C 42.60 0.10 1 2516 221 224 LEU CG C 27.00 0.10 1 2517 221 224 LEU CD1 C 24.50 0.10 1 2518 221 224 LEU CD2 C 25.00 0.10 1 2519 221 224 LEU N N 129.80 0.10 1 2520 222 225 GLU H H 8.11 0.05 1 2521 222 225 GLU HA H 5.25 0.05 1 2522 222 225 GLU HB2 H 2.01 0.05 1 2523 222 225 GLU HB3 H 1.86 0.05 1 2524 222 225 GLU HG2 H 2.24 0.05 1 2525 222 225 GLU HG3 H 2.23 0.05 1 2526 222 225 GLU C C 174.59 0.05 1 2527 222 225 GLU CA C 53.40 0.10 1 2528 222 225 GLU CB C 34.40 0.10 1 2529 222 225 GLU CG C 35.70 0.10 1 2530 222 225 GLU N N 128.70 0.10 1 2531 223 226 PHE H H 8.74 0.05 1 2532 223 226 PHE HA H 5.84 0.05 1 2533 223 226 PHE HB2 H 3.07 0.05 1 2534 223 226 PHE HB3 H 3.07 0.05 1 2535 223 226 PHE HD1 H 6.69 0.05 1 2536 223 226 PHE HD2 H 6.69 0.05 1 2537 223 226 PHE HE1 H 7.08 0.05 1 2538 223 226 PHE HE2 H 7.08 0.05 1 2539 223 226 PHE HZ H 7.12 0.05 1 2540 223 226 PHE CA C 55.60 0.10 1 2541 223 226 PHE CB C 41.70 0.10 1 2542 223 226 PHE CD1 C 133.30 0.10 1 2543 223 226 PHE CD2 C 133.30 0.10 1 2544 223 226 PHE CE1 C 131.40 0.10 1 2545 223 226 PHE CE2 C 131.40 0.10 1 2546 223 226 PHE CZ C 130.20 0.10 1 2547 223 226 PHE N N 123.70 0.10 1 2548 224 227 VAL H H 9.23 0.05 1 2549 224 227 VAL HA H 5.01 0.05 1 2550 224 227 VAL HB H 1.73 0.05 1 2551 224 227 VAL HG1 H 0.70 0.05 1 2552 224 227 VAL HG2 H 0.97 0.05 1 2553 224 227 VAL C C 175.17 0.05 1 2554 224 227 VAL CA C 60.70 0.10 1 2555 224 227 VAL CB C 35.30 0.10 1 2556 224 227 VAL CG1 C 21.90 0.10 1 2557 224 227 VAL CG2 C 21.75 0.10 1 2558 224 227 VAL N N 123.20 0.10 1 2559 225 228 THR H H 8.16 0.05 1 2560 225 228 THR HA H 4.99 0.05 1 2561 225 228 THR HB H 3.92 0.05 1 2562 225 228 THR HG2 H 1.27 0.05 1 2563 225 228 THR C C 172.45 0.05 1 2564 225 228 THR CA C 59.70 0.10 1 2565 225 228 THR CB C 71.40 0.10 1 2566 225 228 THR CG2 C 20.90 0.10 1 2567 225 228 THR N N 122.15 0.10 1 2568 226 229 ALA H H 8.36 0.05 1 2569 226 229 ALA HA H 4.62 0.05 1 2570 226 229 ALA HB H 0.34 0.05 1 2571 226 229 ALA C C 175.51 0.05 1 2572 226 229 ALA CA C 51.00 0.10 1 2573 226 229 ALA CB C 18.70 0.10 1 2574 226 229 ALA N N 129.67 0.10 1 2575 227 230 ALA H H 8.69 0.05 1 2576 227 230 ALA HA H 4.27 0.05 1 2577 227 230 ALA HB H 0.92 0.05 1 2578 227 230 ALA C C 175.61 0.05 1 2579 227 230 ALA CA C 51.10 0.10 1 2580 227 230 ALA CB C 21.70 0.10 1 2581 227 230 ALA N N 122.73 0.10 1 2582 228 231 GLY H H 8.05 0.05 1 2583 228 231 GLY HA2 H 3.56 0.05 1 2584 228 231 GLY HA3 H 3.81 0.05 1 2585 228 231 GLY C C 174.10 0.05 1 2586 228 231 GLY CA C 44.90 0.10 1 2587 228 231 GLY N N 104.40 0.10 1 2588 229 232 ILE H H 7.06 0.05 1 2589 229 232 ILE HA H 4.43 0.05 1 2590 229 232 ILE HB H 1.65 0.05 1 2591 229 232 ILE HG12 H 1.29 0.05 1 2592 229 232 ILE HG13 H 1.13 0.05 1 2593 229 232 ILE HG2 H 0.96 0.05 1 2594 229 232 ILE HD1 H 0.35 0.05 1 2595 229 232 ILE C C 176.13 0.05 1 2596 229 232 ILE CA C 59.90 0.10 1 2597 229 232 ILE CB C 39.40 0.10 1 2598 229 232 ILE CG1 C 27.50 0.10 1 2599 229 232 ILE CG2 C 16.90 0.10 1 2600 229 232 ILE CD1 C 12.20 0.10 1 2601 229 232 ILE N N 119.95 0.10 1 2602 230 233 THR H H 8.54 0.05 1 2603 230 233 THR HA H 4.33 0.05 1 2604 230 233 THR HB H 4.16 0.05 1 2605 230 233 THR HG2 H 1.20 0.05 1 2606 230 233 THR C C 174.11 0.05 1 2607 230 233 THR CA C 61.20 0.10 1 2608 230 233 THR CB C 69.30 0.10 1 2609 230 233 THR CG2 C 21.50 0.10 1 2610 230 233 THR N N 120.80 0.10 1 2611 231 234 LEU H H 8.13 0.05 1 2612 231 234 LEU HA H 4.10 0.05 1 2613 231 234 LEU HB2 H 1.50 0.05 1 2614 231 234 LEU HB3 H 1.30 0.05 1 2615 231 234 LEU HG H 1.16 0.05 1 2616 231 234 LEU HD1 H 0.85 0.05 1 2617 231 234 LEU HD2 H 0.31 0.05 1 2618 231 234 LEU C C 177.70 0.05 1 2619 231 234 LEU CA C 55.20 0.10 1 2620 231 234 LEU CB C 41.80 0.10 1 2621 231 234 LEU CG C 27.10 0.10 1 2622 231 234 LEU CD1 C 25.40 0.10 1 2623 231 234 LEU CD2 C 24.90 0.10 1 2624 231 234 LEU N N 126.40 0.10 1 2625 232 235 GLY H H 8.48 0.05 1 2626 232 235 GLY HA2 H 3.40 0.05 1 2627 232 235 GLY HA3 H 4.02 0.05 1 2628 232 235 GLY CA C 43.50 0.10 1 2629 232 235 GLY N N 109.40 0.10 1 2630 233 236 MET H H 8.08 0.05 1 2631 233 236 MET HA H 4.36 0.05 1 2632 233 236 MET HB2 H 1.89 0.05 1 2633 233 236 MET HB3 H 2.02 0.05 1 2634 233 236 MET HG2 H 2.39 0.05 1 2635 233 236 MET HG3 H 2.14 0.05 1 2636 233 236 MET HE H 2.13 0.05 1 2637 233 236 MET CA C 55.50 0.10 1 2638 233 236 MET CB C 33.20 0.10 1 2639 233 236 MET CG C 34.20 0.10 1 2640 233 236 MET CE C 16.60 0.10 1 2641 233 236 MET N N 121.00 0.10 1 2642 234 237 ASP H H 8.30 0.05 1 2643 234 237 ASP HA H 4.42 0.05 1 2644 234 237 ASP HB2 H 2.53 0.05 1 2645 234 237 ASP HB3 H 2.65 0.05 1 2646 234 237 ASP CA C 54.60 0.10 1 2647 234 237 ASP CB C 41.50 0.10 1 2648 234 237 ASP N N 121.00 0.10 1 2649 235 238 GLU H H 8.13 0.05 1 2650 235 238 GLU HA H 4.09 0.05 1 2651 235 238 GLU HB2 H 2.14 0.05 1 2652 235 238 GLU CA C 57.80 0.10 1 2653 235 238 GLU N N 121.20 0.10 1 2654 236 239 LEU H H 7.87 0.05 1 2655 236 239 LEU HA H 4.11 0.05 1 2656 236 239 LEU HB2 H 1.20 0.05 1 2657 236 239 LEU HB3 H 1.40 0.05 1 2658 236 239 LEU HG H 1.20 0.05 1 2659 236 239 LEU HD1 H 0.85 0.05 1 2660 236 239 LEU HD2 H 0.76 0.05 1 2661 236 239 LEU CA C 55.20 0.10 1 2662 236 239 LEU CB C 42.80 0.10 1 2663 236 239 LEU CG C 27.00 0.10 1 2664 236 239 LEU CD1 C 25.10 0.10 1 2665 236 239 LEU CD2 C 23.40 0.10 1 2666 236 239 LEU N N 122.10 0.10 1 2667 237 240 TYR H H 7.80 0.05 1 2668 237 240 TYR HA H 4.52 0.05 1 2669 237 240 TYR HB2 H 3.11 0.05 1 2670 237 240 TYR HB3 H 2.85 0.05 1 2671 237 240 TYR HD1 H 7.06 0.05 1 2672 237 240 TYR HD2 H 7.06 0.05 1 2673 237 240 TYR HE1 H 6.76 0.05 1 2674 237 240 TYR HE2 H 6.76 0.05 1 2675 237 240 TYR C C 174.80 0.05 1 2676 237 240 TYR CA C 57.20 0.10 1 2677 237 240 TYR CB C 38.40 0.10 1 2678 237 240 TYR CD1 C 133.20 0.10 1 2679 237 240 TYR CD2 C 133.20 0.10 1 2680 237 240 TYR CE1 C 118.30 0.10 1 2681 237 240 TYR CE2 C 118.30 0.10 1 2682 237 240 TYR N N 120.10 0.10 1 2683 238 241 LYS H H 7.47 0.05 1 2684 238 241 LYS HA H 4.06 0.05 1 2685 238 241 LYS HB2 H 1.72 0.05 1 2686 238 241 LYS HB3 H 1.72 0.05 1 2687 238 241 LYS CA C 57.00 0.10 1 2688 238 241 LYS N N 127.90 0.10 1 stop_ save_