data_16195 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of the human AKAP13 PH domain and stabilizing DH helix ; _BMRB_accession_number 16195 _BMRB_flat_file_name bmr16195.str _Entry_type original _Submission_date 2009-03-05 _Accession_date 2009-03-05 _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 Sugawara Masae . . 2 Whittaker Sara B.M. . 3 Bishop Shurene . . 4 Ball Linda . . 5 Overduin Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1056 "13C chemical shifts" 818 "15N chemical shifts" 189 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-25 update BMRB 'complete entry citation' 2009-08-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments of the human AKAP13-PH domain and stabilizing DH helix' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19888694 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sugawara Masae . . 2 Whittaker Sara B.M. . 3 Bishop Shurene . . 4 Ball Linda . . 5 Overduin Michael . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 215 _Page_last 218 _Year 2009 _Details . loop_ _Keyword AKAP13 Brx Lbc 'NMR resonance assignment' 'PH domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AKAP13-PH _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AKAP13-PH $AKAP13-PH 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_AKAP13-PH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AKAP13-PH _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; SMTKDNEVEQEDLAQSLSLV KDVIGAVDSKVASYEKKVRL NEIYTKTDSKSIMRMKSGQM FAKEDLKRKKLVRDGSVFLK NAAGRLKEVQAVLLTDILVF LQEKDQKYIFASLDQKSTVI SLKKLIVREVAHEEKGLFLI SMGMTDPEMVEVHASSKEER NSWIQIIQDTINTLNRDEDE GIPSE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2162 SER 2 2163 MET 3 2164 THR 4 2165 LYS 5 2166 ASP 6 2167 ASN 7 2168 GLU 8 2169 VAL 9 2170 GLU 10 2171 GLN 11 2172 GLU 12 2173 ASP 13 2174 LEU 14 2175 ALA 15 2176 GLN 16 2177 SER 17 2178 LEU 18 2179 SER 19 2180 LEU 20 2181 VAL 21 2182 LYS 22 2183 ASP 23 2184 VAL 24 2185 ILE 25 2186 GLY 26 2187 ALA 27 2188 VAL 28 2189 ASP 29 2190 SER 30 2191 LYS 31 2192 VAL 32 2193 ALA 33 2194 SER 34 2195 TYR 35 2196 GLU 36 2197 LYS 37 2198 LYS 38 2199 VAL 39 2200 ARG 40 2201 LEU 41 2202 ASN 42 2203 GLU 43 2204 ILE 44 2205 TYR 45 2206 THR 46 2207 LYS 47 2208 THR 48 2209 ASP 49 2210 SER 50 2211 LYS 51 2212 SER 52 2213 ILE 53 2214 MET 54 2215 ARG 55 2216 MET 56 2217 LYS 57 2218 SER 58 2219 GLY 59 2220 GLN 60 2221 MET 61 2222 PHE 62 2223 ALA 63 2224 LYS 64 2225 GLU 65 2226 ASP 66 2227 LEU 67 2228 LYS 68 2229 ARG 69 2230 LYS 70 2231 LYS 71 2232 LEU 72 2233 VAL 73 2234 ARG 74 2235 ASP 75 2236 GLY 76 2237 SER 77 2238 VAL 78 2239 PHE 79 2240 LEU 80 2241 LYS 81 2242 ASN 82 2243 ALA 83 2244 ALA 84 2245 GLY 85 2246 ARG 86 2247 LEU 87 2248 LYS 88 2249 GLU 89 2250 VAL 90 2251 GLN 91 2252 ALA 92 2253 VAL 93 2254 LEU 94 2255 LEU 95 2256 THR 96 2257 ASP 97 2258 ILE 98 2259 LEU 99 2260 VAL 100 2261 PHE 101 2262 LEU 102 2263 GLN 103 2264 GLU 104 2265 LYS 105 2266 ASP 106 2267 GLN 107 2268 LYS 108 2269 TYR 109 2270 ILE 110 2271 PHE 111 2272 ALA 112 2273 SER 113 2274 LEU 114 2275 ASP 115 2276 GLN 116 2277 LYS 117 2278 SER 118 2279 THR 119 2280 VAL 120 2281 ILE 121 2282 SER 122 2283 LEU 123 2284 LYS 124 2285 LYS 125 2286 LEU 126 2287 ILE 127 2288 VAL 128 2289 ARG 129 2290 GLU 130 2291 VAL 131 2292 ALA 132 2293 HIS 133 2294 GLU 134 2295 GLU 135 2296 LYS 136 2297 GLY 137 2298 LEU 138 2299 PHE 139 2300 LEU 140 2301 ILE 141 2302 SER 142 2303 MET 143 2304 GLY 144 2305 MET 145 2306 THR 146 2307 ASP 147 2308 PRO 148 2309 GLU 149 2310 MET 150 2311 VAL 151 2312 GLU 152 2313 VAL 153 2314 HIS 154 2315 ALA 155 2316 SER 156 2317 SER 157 2318 LYS 158 2319 GLU 159 2320 GLU 160 2321 ARG 161 2322 ASN 162 2323 SER 163 2324 TRP 164 2325 ILE 165 2326 GLN 166 2327 ILE 167 2328 ILE 168 2329 GLN 169 2330 ASP 170 2331 THR 171 2332 ILE 172 2333 ASN 173 2334 THR 174 2335 LEU 175 2336 ASN 176 2337 ARG 177 2338 ASP 178 2339 GLU 179 2340 ASP 180 2341 GLU 181 2342 GLY 182 2343 ILE 183 2344 PRO 184 2345 SER 185 2346 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2LG1 "Solution Structure Of The Human Akap13 Ph Domain And Stabilizing Dh Helix" 100.00 185 100.00 100.00 3.25e-128 PDB 4D0N "Akap13 (akap-lbc) Rhogef Domain In Complex With Rhoa" 94.59 373 100.00 100.00 2.65e-117 DBJ BAB62913 "guanine nucleotide exchange factor Lbc [Homo sapiens]" 99.46 2813 99.46 99.46 2.70e-115 DBJ BAD92651 "A-kinase anchor protein 13 isoform 2 variant [Homo sapiens]" 99.46 1308 99.46 99.46 3.06e-116 DBJ BAE01465 "unnamed protein product [Macaca fascicularis]" 98.38 229 98.35 99.45 1.56e-122 GB AAC50065 "P47 LBC oncogene [Homo sapiens]" 94.05 424 98.85 99.43 1.86e-113 GB AAD21311 "breast cancer nuclear receptor-binding auxiliary protein [Homo sapiens]" 99.46 1429 99.46 99.46 9.01e-116 GB AAD40799 "non-ocogenic Rho GTPase-specific GTP exchange factor [Homo sapiens]" 99.46 893 99.46 99.46 1.55e-118 GB AAI40863 "AKAP13 protein, partial [Homo sapiens]" 99.46 1085 99.46 99.46 1.80e-117 GB AAI71798 "AKAP13 protein, partial [Homo sapiens]" 99.46 1085 99.46 99.46 1.80e-117 REF NP_001257475 "A-kinase anchor protein 13 isoform 4 [Homo sapiens]" 99.46 1434 99.46 99.46 1.13e-115 REF NP_006729 "A-kinase anchor protein 13 isoform 1 [Homo sapiens]" 99.46 2817 99.46 99.46 3.45e-115 REF NP_009131 "A-kinase anchor protein 13 isoform 2 [Homo sapiens]" 99.46 2813 99.46 99.46 2.86e-115 REF XP_001086697 "PREDICTED: a-kinase anchor protein 13-like [Macaca mulatta]" 99.46 2756 98.37 98.91 5.47e-114 REF XP_001163473 "PREDICTED: A-kinase anchor protein 13 isoform X13 [Pan troglodytes]" 99.46 1434 99.46 99.46 1.26e-115 SP Q12802 "RecName: Full=A-kinase anchor protein 13; Short=AKAP-13; AltName: Full=AKAP-Lbc; AltName: Full=Breast cancer nuclear receptor-b" 99.46 2813 99.46 99.46 2.86e-115 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AKAP13-PH Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $AKAP13-PH 'recombinant technology' . Escherichia coli . pNIC28-Bsa4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '500uM AKAP13 extended PH domain in 50mM phosphate buffer at pH 7.0, 150mM NaCl, 0.02% NaN3, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'Sodium azide' 0.02 % 'natural abundance' D2O 10 % '[U-99% 2H]' $AKAP13-PH 0.5 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version 2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details 'equipped with triple resonance cold probe with enhanced 13C and 1H sensitivity and z-axis gradiant.' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details 'equipped with triple resonance cold probe with enhanced 13C and 1H sensitivity and z-axis gradiant.' 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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 150 . mM pH 7 . pH pressure 1 . atm temperature 298 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $NMRPipe $Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HN(CO)CA' '3D HNCA' '3D HNCACB' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AKAP13-PH _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 2162 1 SER HA H 3.868 0.000 1 2 2162 1 SER HB2 H 3.852 0.000 2 3 2162 1 SER HB3 H 4.051 0.000 2 4 2162 1 SER CA C 57.274 0.031 1 5 2162 1 SER CB C 66.031 0.038 1 6 2163 2 MET HB2 H 2.044 0.003 2 7 2163 2 MET HB3 H 2.131 0.003 2 8 2163 2 MET HG2 H 2.566 0.001 2 9 2163 2 MET HG3 H 2.615 0.003 2 10 2163 2 MET C C 176.488 0.000 1 11 2163 2 MET CA C 55.712 0.000 1 12 2163 2 MET CB C 33.012 0.040 1 13 2163 2 MET CG C 31.901 0.010 1 14 2164 3 THR H H 8.286 0.002 1 15 2164 3 THR HA H 4.326 0.023 1 16 2164 3 THR HB H 4.196 0.001 1 17 2164 3 THR HG2 H 1.197 0.002 1 18 2164 3 THR C C 174.511 0.000 1 19 2164 3 THR CA C 61.857 0.097 1 20 2164 3 THR CB C 69.864 0.076 1 21 2164 3 THR CG2 C 21.683 0.000 1 22 2164 3 THR N N 115.894 0.026 1 23 2165 4 LYS H H 8.410 0.003 1 24 2165 4 LYS HA H 4.338 0.036 1 25 2165 4 LYS HB2 H 1.738 0.010 2 26 2165 4 LYS HB3 H 1.822 0.020 2 27 2165 4 LYS HD2 H 1.415 0.019 2 28 2165 4 LYS HD3 H 1.438 0.007 2 29 2165 4 LYS HE2 H 2.991 0.005 1 30 2165 4 LYS HE3 H 2.991 0.005 1 31 2165 4 LYS HG2 H 1.669 0.015 1 32 2165 4 LYS HG3 H 1.667 0.016 1 33 2165 4 LYS C C 176.294 0.000 1 34 2165 4 LYS CA C 56.259 0.149 1 35 2165 4 LYS CB C 33.138 0.041 1 36 2165 4 LYS CD C 28.916 0.041 1 37 2165 4 LYS CE C 41.889 0.031 1 38 2165 4 LYS CG C 24.704 0.030 1 39 2165 4 LYS N N 123.739 0.028 1 40 2166 5 ASP H H 8.358 0.001 1 41 2166 5 ASP HA H 4.582 0.018 1 42 2166 5 ASP HB2 H 2.584 0.009 2 43 2166 5 ASP HB3 H 2.671 0.005 2 44 2166 5 ASP C C 176.048 0.000 1 45 2166 5 ASP CA C 54.688 0.058 1 46 2166 5 ASP CB C 41.077 0.074 1 47 2166 5 ASP N N 121.418 0.041 1 48 2167 6 ASN H H 8.340 0.002 1 49 2167 6 ASN HA H 4.659 0.004 1 50 2167 6 ASN HB2 H 2.757 0.004 2 51 2167 6 ASN HB3 H 2.816 0.005 2 52 2167 6 ASN HD21 H 6.890 0.001 1 53 2167 6 ASN HD22 H 7.598 0.001 1 54 2167 6 ASN C C 175.169 0.000 1 55 2167 6 ASN CA C 53.402 0.089 1 56 2167 6 ASN CB C 38.919 0.136 1 57 2167 6 ASN N N 118.283 0.029 1 58 2167 6 ASN ND2 N 112.485 0.032 1 59 2168 7 GLU H H 8.311 0.001 1 60 2168 7 GLU HA H 4.216 0.014 1 61 2168 7 GLU HB2 H 1.937 0.005 2 62 2168 7 GLU HB3 H 2.010 0.005 2 63 2168 7 GLU HG2 H 2.247 0.000 1 64 2168 7 GLU HG3 H 2.247 0.000 1 65 2168 7 GLU C C 176.488 0.000 1 66 2168 7 GLU CA C 56.860 0.098 1 67 2168 7 GLU CB C 30.386 0.042 1 68 2168 7 GLU CG C 36.341 0.006 1 69 2168 7 GLU N N 121.011 0.110 1 70 2169 8 VAL H H 8.071 0.006 1 71 2169 8 VAL HA H 4.097 0.014 1 72 2169 8 VAL HB H 2.074 0.013 1 73 2169 8 VAL HG1 H 0.922 0.007 1 74 2169 8 VAL HG2 H 0.919 0.008 1 75 2169 8 VAL C C 176.195 0.000 1 76 2169 8 VAL CA C 62.247 0.043 1 77 2169 8 VAL CB C 32.774 0.082 1 78 2169 8 VAL CG1 C 20.506 0.053 2 79 2169 8 VAL CG2 C 21.225 0.015 2 80 2169 8 VAL N N 120.649 0.018 1 81 2170 9 GLU H H 8.467 0.007 1 82 2170 9 GLU HA H 4.335 0.016 1 83 2170 9 GLU HB2 H 1.942 0.003 2 84 2170 9 GLU HB3 H 2.055 0.008 2 85 2170 9 GLU HG2 H 2.269 0.006 1 86 2170 9 GLU HG3 H 2.269 0.006 1 87 2170 9 GLU C C 176.560 0.000 1 88 2170 9 GLU CA C 56.602 0.098 1 89 2170 9 GLU CB C 30.395 0.004 1 90 2170 9 GLU CG C 36.293 0.013 1 91 2170 9 GLU N N 124.795 0.022 1 92 2171 10 GLN H H 8.418 0.000 1 93 2171 10 GLN HA H 4.297 0.012 1 94 2171 10 GLN HB2 H 1.994 0.006 2 95 2171 10 GLN HB3 H 2.104 0.005 2 96 2171 10 GLN HE21 H 6.842 0.002 1 97 2171 10 GLN HE22 H 7.604 0.002 1 98 2171 10 GLN HG2 H 2.366 0.004 1 99 2171 10 GLN C C 176.195 0.000 1 100 2171 10 GLN CA C 55.775 0.108 1 101 2171 10 GLN CB C 29.546 0.078 1 102 2171 10 GLN CG C 33.701 0.068 1 103 2171 10 GLN N N 121.822 0.022 1 104 2171 10 GLN NE2 N 112.548 0.276 1 105 2172 11 GLU H H 8.528 0.002 1 106 2172 11 GLU HA H 4.282 0.007 1 107 2172 11 GLU HB2 H 1.950 0.009 2 108 2172 11 GLU HB3 H 2.046 0.006 2 109 2172 11 GLU HG2 H 2.245 0.000 1 110 2172 11 GLU C C 176.341 0.000 1 111 2172 11 GLU CA C 57.110 0.002 1 112 2172 11 GLU CB C 30.303 0.094 1 113 2172 11 GLU CG C 36.302 0.000 1 114 2172 11 GLU N N 122.804 0.029 1 115 2173 12 ASP H H 8.438 0.002 1 116 2173 12 ASP HA H 4.567 0.024 1 117 2173 12 ASP HB2 H 2.610 0.014 2 118 2173 12 ASP HB3 H 2.721 0.018 2 119 2173 12 ASP C C 175.096 0.000 1 120 2173 12 ASP CA C 54.500 0.092 1 121 2173 12 ASP CB C 41.033 0.014 1 122 2173 12 ASP N N 121.634 0.067 1 123 2174 13 LEU H H 8.197 0.006 1 124 2174 13 LEU HA H 3.720 0.000 1 125 2174 13 LEU C C 177.879 0.000 1 126 2174 13 LEU CA C 56.045 0.129 1 127 2174 13 LEU CB C 42.376 0.202 1 128 2174 13 LEU N N 123.525 0.063 1 129 2175 14 ALA H H 8.237 0.002 1 130 2175 14 ALA HA H 4.220 0.011 1 131 2175 14 ALA HB H 1.417 0.006 1 132 2175 14 ALA C C 178.611 0.000 1 133 2175 14 ALA CA C 53.366 0.124 1 134 2175 14 ALA CB C 18.837 0.002 1 135 2175 14 ALA N N 123.450 0.023 1 136 2176 15 GLN H H 8.152 0.001 1 137 2176 15 GLN HA H 4.270 0.004 1 138 2176 15 GLN HB2 H 2.018 0.004 2 139 2176 15 GLN HB3 H 2.142 0.002 2 140 2176 15 GLN HE21 H 6.856 0.011 1 141 2176 15 GLN HE22 H 7.573 0.007 1 142 2176 15 GLN HG2 H 2.379 0.006 1 143 2176 15 GLN HG3 H 2.379 0.006 1 144 2176 15 GLN C C 176.707 0.000 1 145 2176 15 GLN CA C 56.461 0.029 1 146 2176 15 GLN CB C 29.102 0.040 1 147 2176 15 GLN CG C 33.690 0.087 1 148 2176 15 GLN N N 118.355 0.034 1 149 2176 15 GLN NE2 N 112.571 0.009 1 150 2177 16 SER H H 8.218 0.001 1 151 2177 16 SER HA H 4.351 0.000 1 152 2177 16 SER HB2 H 3.887 0.010 2 153 2177 16 SER HB3 H 3.967 0.005 2 154 2177 16 SER C C 176.780 0.000 1 155 2177 16 SER CA C 58.996 0.002 1 156 2177 16 SER CB C 63.492 0.058 1 157 2177 16 SER N N 116.353 0.012 1 158 2178 17 LEU H H 8.193 0.003 1 159 2178 17 LEU HA H 4.333 0.000 1 160 2178 17 LEU C C 177.659 0.000 1 161 2178 17 LEU CA C 54.915 0.039 1 162 2178 17 LEU CB C 42.300 0.030 1 163 2178 17 LEU N N 123.653 0.092 1 164 2179 18 SER H H 8.144 0.001 1 165 2179 18 SER HA H 4.375 0.007 1 166 2179 18 SER HB2 H 3.872 0.015 1 167 2179 18 SER HB3 H 3.872 0.015 1 168 2179 18 SER C C 174.584 0.000 1 169 2179 18 SER CA C 58.783 0.122 1 170 2179 18 SER CB C 63.545 0.012 1 171 2179 18 SER N N 115.789 0.026 1 172 2180 19 LEU H H 8.099 0.003 1 173 2180 19 LEU HA H 4.400 0.000 1 174 2180 19 LEU C C 177.366 0.000 1 175 2180 19 LEU CA C 55.298 0.081 1 176 2180 19 LEU CB C 42.390 0.082 1 177 2180 19 LEU N N 123.784 0.023 1 178 2181 20 VAL H H 7.965 0.003 1 179 2181 20 VAL HA H 4.072 0.012 1 180 2181 20 VAL HB H 2.061 0.017 1 181 2181 20 VAL HG1 H 0.925 0.009 1 182 2181 20 VAL HG2 H 0.929 0.008 1 183 2181 20 VAL C C 176.121 0.000 1 184 2181 20 VAL CA C 62.361 0.083 1 185 2181 20 VAL CB C 32.691 0.076 1 186 2181 20 VAL CG1 C 20.602 0.035 2 187 2181 20 VAL CG2 C 21.196 0.018 2 188 2181 20 VAL N N 120.670 0.024 1 189 2182 21 LYS H H 8.283 0.002 1 190 2182 21 LYS HA H 4.352 0.016 1 191 2182 21 LYS HB2 H 1.747 0.005 2 192 2182 21 LYS HB3 H 1.855 0.019 2 193 2182 21 LYS HD2 H 1.655 0.019 1 194 2182 21 LYS HD3 H 1.655 0.019 1 195 2182 21 LYS HE2 H 2.990 0.004 1 196 2182 21 LYS HE3 H 2.990 0.004 1 197 2182 21 LYS HG2 H 1.420 0.010 1 198 2182 21 LYS HG3 H 1.420 0.010 1 199 2182 21 LYS C C 176.634 0.000 1 200 2182 21 LYS CA C 56.156 0.129 1 201 2182 21 LYS CB C 33.150 0.115 1 202 2182 21 LYS CD C 28.901 0.045 1 203 2182 21 LYS CE C 41.890 0.023 1 204 2182 21 LYS CG C 24.424 0.131 1 205 2182 21 LYS N N 125.071 0.027 1 206 2183 22 ASP H H 8.280 0.002 1 207 2183 22 ASP HA H 4.586 0.006 1 208 2183 22 ASP HB2 H 2.577 0.008 2 209 2183 22 ASP HB3 H 2.673 0.009 2 210 2183 22 ASP C C 176.048 0.000 1 211 2183 22 ASP CA C 54.410 0.036 1 212 2183 22 ASP CB C 41.238 0.076 1 213 2183 22 ASP N N 121.496 0.031 1 214 2184 23 VAL H H 8.068 0.006 1 215 2184 23 VAL HA H 3.594 0.001 1 216 2184 23 VAL HB H 2.255 0.001 1 217 2184 23 VAL HG1 H 0.977 0.005 2 218 2184 23 VAL HG2 H 1.014 0.019 2 219 2184 23 VAL C C 176.341 0.000 1 220 2184 23 VAL CA C 63.040 0.000 1 221 2184 23 VAL CB C 31.764 0.025 1 222 2184 23 VAL CG1 C 19.445 0.108 2 223 2184 23 VAL CG2 C 20.669 0.023 2 224 2184 23 VAL N N 120.206 0.013 1 225 2185 24 ILE H H 8.224 0.002 1 226 2185 24 ILE HA H 4.127 0.029 1 227 2185 24 ILE HB H 1.865 0.007 1 228 2185 24 ILE HD1 H 0.877 0.023 1 229 2185 24 ILE HG12 H 1.213 0.010 2 230 2185 24 ILE HG13 H 1.504 0.021 2 231 2185 24 ILE HG2 H 0.924 0.033 1 232 2185 24 ILE C C 176.927 0.000 1 233 2185 24 ILE CA C 61.400 0.065 1 234 2185 24 ILE CB C 38.385 0.073 1 235 2185 24 ILE CD1 C 12.731 0.051 1 236 2185 24 ILE CG1 C 27.477 0.026 1 237 2185 24 ILE CG2 C 17.331 0.066 1 238 2185 24 ILE N N 124.739 0.021 1 239 2186 25 GLY H H 8.464 0.002 1 240 2186 25 GLY HA2 H 3.921 0.003 1 241 2186 25 GLY HA3 H 3.921 0.003 1 242 2186 25 GLY C C 173.778 0.000 1 243 2186 25 GLY CA C 45.081 0.039 1 244 2186 25 GLY N N 112.980 0.018 1 245 2187 26 ALA H H 8.091 0.003 1 246 2187 26 ALA HA H 4.338 0.004 1 247 2187 26 ALA HB H 1.373 0.005 1 248 2187 26 ALA C C 178.025 0.000 1 249 2187 26 ALA CA C 52.387 0.039 1 250 2187 26 ALA CB C 19.372 0.051 1 251 2187 26 ALA N N 123.889 0.043 1 252 2188 27 VAL H H 8.158 0.003 1 253 2188 27 VAL HA H 4.142 0.004 1 254 2188 27 VAL HB H 2.079 0.009 1 255 2188 27 VAL HG1 H 0.913 0.009 2 256 2188 27 VAL HG2 H 0.933 0.006 2 257 2188 27 VAL C C 176.048 0.000 1 258 2188 27 VAL CA C 62.422 0.052 1 259 2188 27 VAL CB C 32.947 0.043 1 260 2188 27 VAL CG1 C 20.384 0.006 2 261 2188 27 VAL CG2 C 21.215 0.021 2 262 2188 27 VAL N N 119.389 0.014 1 263 2189 28 ASP H H 8.383 0.002 1 264 2189 28 ASP HA H 4.605 0.007 1 265 2189 28 ASP HB2 H 2.651 0.007 2 266 2189 28 ASP HB3 H 2.731 0.007 2 267 2189 28 ASP CA C 54.329 0.073 1 268 2189 28 ASP CB C 41.406 0.116 1 269 2189 28 ASP N N 124.096 0.029 1 270 2190 29 SER H H 8.379 0.001 1 271 2190 29 SER HA H 4.318 0.003 1 272 2190 29 SER HB2 H 3.880 0.003 2 273 2190 29 SER HB3 H 3.962 0.004 2 274 2190 29 SER C C 175.532 0.000 1 275 2190 29 SER CA C 59.328 0.067 1 276 2190 29 SER CB C 63.330 0.029 1 277 2190 29 SER N N 117.722 0.030 1 278 2191 30 LYS H H 8.410 0.002 1 279 2191 30 LYS HA H 4.273 0.003 1 280 2191 30 LYS HB2 H 1.878 0.005 1 281 2191 30 LYS HB3 H 1.878 0.005 1 282 2191 30 LYS HD2 H 1.686 0.007 1 283 2191 30 LYS HD3 H 1.686 0.007 1 284 2191 30 LYS HE2 H 2.986 0.003 1 285 2191 30 LYS HE3 H 2.986 0.003 1 286 2191 30 LYS HG2 H 1.419 0.003 2 287 2191 30 LYS HG3 H 1.513 0.013 2 288 2191 30 LYS C C 177.952 0.000 1 289 2191 30 LYS CA C 57.630 0.086 1 290 2191 30 LYS CB C 32.245 0.038 1 291 2191 30 LYS CD C 28.871 0.025 1 292 2191 30 LYS CE C 41.795 0.005 1 293 2191 30 LYS CG C 24.970 0.043 1 294 2191 30 LYS N N 123.161 0.043 1 295 2192 31 VAL H H 7.915 0.002 1 296 2192 31 VAL HA H 3.954 0.006 1 297 2192 31 VAL HB H 2.114 0.004 1 298 2192 31 VAL HG1 H 0.974 0.011 2 299 2192 31 VAL HG2 H 0.999 0.008 2 300 2192 31 VAL C C 177.000 0.000 1 301 2192 31 VAL CA C 64.034 0.068 1 302 2192 31 VAL CB C 32.308 0.054 1 303 2192 31 VAL CG1 C 21.471 0.138 2 304 2192 31 VAL CG2 C 21.145 0.056 2 305 2192 31 VAL N N 120.699 0.022 1 306 2193 32 ALA H H 8.303 0.003 1 307 2193 32 ALA HA H 4.291 0.005 1 308 2193 32 ALA HB H 1.430 0.002 1 309 2193 32 ALA C C 179.197 0.000 1 310 2193 32 ALA CA C 53.836 0.041 1 311 2193 32 ALA CB C 18.650 0.071 1 312 2193 32 ALA N N 125.246 0.047 1 313 2194 33 SER H H 8.177 0.002 1 314 2194 33 SER HA H 4.302 0.003 1 315 2194 33 SER HB2 H 3.951 0.006 2 316 2194 33 SER HB3 H 4.023 0.009 2 317 2194 33 SER C C 176.463 0.000 1 318 2194 33 SER CA C 60.092 0.074 1 319 2194 33 SER CB C 63.074 0.074 1 320 2194 33 SER N N 113.551 0.019 1 321 2195 34 TYR H H 8.187 0.003 1 322 2195 34 TYR HA H 4.355 0.006 1 323 2195 34 TYR HB2 H 3.153 0.005 2 324 2195 34 TYR HB3 H 3.221 0.007 2 325 2195 34 TYR HD1 H 7.134 0.003 3 326 2195 34 TYR HD2 H 7.134 0.003 3 327 2195 34 TYR HE1 H 6.805 0.004 3 328 2195 34 TYR HE2 H 6.805 0.004 3 329 2195 34 TYR C C 176.902 0.000 1 330 2195 34 TYR CA C 60.701 0.044 1 331 2195 34 TYR CB C 38.143 0.068 1 332 2195 34 TYR CD1 C 136.477 0.038 3 333 2195 34 TYR CD2 C 136.477 0.038 3 334 2195 34 TYR CE1 C 99.752 0.007 3 335 2195 34 TYR CE2 C 99.752 0.007 3 336 2195 34 TYR N N 124.262 0.019 1 337 2196 35 GLU H H 8.522 0.003 1 338 2196 35 GLU HB2 H 2.050 0.010 2 339 2196 35 GLU HB3 H 2.153 0.009 2 340 2196 35 GLU HG2 H 2.320 0.009 2 341 2196 35 GLU HG3 H 2.473 0.005 2 342 2196 35 GLU C C 179.636 0.000 1 343 2196 35 GLU CA C 59.298 0.041 1 344 2196 35 GLU CB C 29.321 0.106 1 345 2196 35 GLU CG C 36.741 0.048 1 346 2196 35 GLU N N 119.616 0.042 1 347 2197 36 LYS H H 7.911 0.004 1 348 2197 36 LYS HA H 4.070 0.008 1 349 2197 36 LYS HB2 H 1.931 0.006 2 350 2197 36 LYS HB3 H 1.983 0.006 2 351 2197 36 LYS HD2 H 1.523 0.004 2 352 2197 36 LYS HD3 H 1.724 0.020 2 353 2197 36 LYS HE2 H 2.985 0.019 2 354 2197 36 LYS HE3 H 2.988 0.018 2 355 2197 36 LYS HG2 H 1.417 0.007 2 356 2197 36 LYS HG3 H 1.637 0.007 2 357 2197 36 LYS C C 178.611 0.000 1 358 2197 36 LYS CA C 59.016 0.052 1 359 2197 36 LYS CB C 32.374 0.146 1 360 2197 36 LYS CD C 28.540 0.035 1 361 2197 36 LYS CE C 42.367 0.038 1 362 2197 36 LYS CG C 25.946 0.000 1 363 2197 36 LYS N N 119.410 0.036 1 364 2198 37 LYS H H 7.869 0.003 1 365 2198 37 LYS HA H 4.061 0.006 1 366 2198 37 LYS HB2 H 1.951 0.006 1 367 2198 37 LYS HB3 H 1.952 0.006 1 368 2198 37 LYS HD2 H 1.713 0.008 1 369 2198 37 LYS HD3 H 1.713 0.008 1 370 2198 37 LYS HE2 H 2.983 0.009 1 371 2198 37 LYS HE3 H 2.983 0.009 1 372 2198 37 LYS HG2 H 1.376 0.012 2 373 2198 37 LYS HG3 H 1.584 0.012 2 374 2198 37 LYS C C 179.416 0.000 1 375 2198 37 LYS CA C 59.724 0.064 1 376 2198 37 LYS CB C 32.143 0.041 1 377 2198 37 LYS CD C 29.492 0.030 1 378 2198 37 LYS CE C 41.813 0.014 1 379 2198 37 LYS CG C 25.029 0.023 1 380 2198 37 LYS N N 122.517 0.040 1 381 2199 38 VAL H H 7.989 0.006 1 382 2199 38 VAL HB H 1.991 0.006 1 383 2199 38 VAL HG1 H 0.748 0.007 2 384 2199 38 VAL HG2 H 0.896 0.002 2 385 2199 38 VAL C C 179.050 0.000 1 386 2199 38 VAL CA C 66.106 0.055 1 387 2199 38 VAL CB C 31.792 0.030 1 388 2199 38 VAL CG1 C 22.302 0.088 2 389 2199 38 VAL CG2 C 20.954 0.000 2 390 2199 38 VAL N N 120.848 0.052 1 391 2200 39 ARG H H 8.013 0.006 1 392 2200 39 ARG HA H 4.225 0.004 1 393 2200 39 ARG HB2 H 1.941 0.015 1 394 2200 39 ARG HB3 H 1.941 0.015 1 395 2200 39 ARG HD2 H 3.030 0.014 2 396 2200 39 ARG HD3 H 3.574 0.005 2 397 2200 39 ARG HG2 H 1.313 0.011 1 398 2200 39 ARG HG3 H 1.313 0.011 1 399 2200 39 ARG C C 178.245 0.000 1 400 2200 39 ARG CA C 57.709 0.081 1 401 2200 39 ARG CB C 28.765 0.000 1 402 2200 39 ARG CD C 42.392 0.025 1 403 2200 39 ARG CG C 26.539 0.072 1 404 2200 39 ARG N N 120.856 0.046 1 405 2201 40 LEU H H 8.270 0.002 1 406 2201 40 LEU HA H 4.106 0.011 1 407 2201 40 LEU HB2 H 1.587 0.004 2 408 2201 40 LEU HB3 H 2.011 0.012 2 409 2201 40 LEU HD1 H 0.919 0.015 1 410 2201 40 LEU HG H 0.900 0.006 1 411 2201 40 LEU C C 178.318 0.000 1 412 2201 40 LEU CA C 57.686 0.099 1 413 2201 40 LEU CB C 40.439 0.034 1 414 2201 40 LEU CD1 C 22.700 0.050 1 415 2201 40 LEU CD2 C 22.687 0.032 1 416 2201 40 LEU CG C 26.184 0.025 1 417 2201 40 LEU N N 119.695 0.037 1 418 2202 41 ASN H H 8.019 0.002 1 419 2202 41 ASN HA H 4.545 0.004 1 420 2202 41 ASN HB2 H 2.870 0.006 2 421 2202 41 ASN HB3 H 2.952 0.004 2 422 2202 41 ASN HD21 H 6.935 0.003 1 423 2202 41 ASN HD22 H 7.826 0.001 1 424 2202 41 ASN C C 178.244 0.000 1 425 2202 41 ASN CA C 57.102 0.073 1 426 2202 41 ASN CB C 38.424 0.055 1 427 2202 41 ASN N N 117.077 0.036 1 428 2202 41 ASN ND2 N 112.549 0.058 1 429 2203 42 GLU H H 8.296 0.004 1 430 2203 42 GLU HA H 4.050 0.004 1 431 2203 42 GLU HB2 H 2.227 0.010 2 432 2203 42 GLU HB3 H 2.416 0.005 2 433 2203 42 GLU HG2 H 2.185 0.003 2 434 2203 42 GLU HG3 H 2.496 0.007 2 435 2203 42 GLU C C 178.977 0.000 1 436 2203 42 GLU CA C 59.851 0.055 1 437 2203 42 GLU CB C 29.629 0.078 1 438 2203 42 GLU CG C 36.284 0.031 1 439 2203 42 GLU N N 123.416 0.032 1 440 2204 43 ILE H H 8.178 0.005 1 441 2204 43 ILE HA H 3.576 0.005 1 442 2204 43 ILE HB H 1.971 0.006 1 443 2204 43 ILE HD1 H 0.729 0.005 1 444 2204 43 ILE HG12 H 1.807 0.048 2 445 2204 43 ILE HG13 H 1.866 0.006 2 446 2204 43 ILE HG2 H 0.645 0.003 1 447 2204 43 ILE C C 178.423 0.000 1 448 2204 43 ILE CA C 66.177 0.029 1 449 2204 43 ILE CB C 38.547 0.032 1 450 2204 43 ILE CD1 C 14.189 0.035 1 451 2204 43 ILE CG1 C 29.199 0.017 1 452 2204 43 ILE CG2 C 17.115 0.018 1 453 2204 43 ILE N N 120.770 0.046 1 454 2205 44 TYR H H 9.115 0.007 1 455 2205 44 TYR HA H 3.995 0.007 1 456 2205 44 TYR HB2 H 2.959 0.007 2 457 2205 44 TYR HB3 H 3.304 0.006 2 458 2205 44 TYR HD1 H 7.100 0.007 3 459 2205 44 TYR HD2 H 7.100 0.007 3 460 2205 44 TYR HE1 H 6.792 0.006 3 461 2205 44 TYR HE2 H 6.792 0.006 3 462 2205 44 TYR C C 177.731 0.000 1 463 2205 44 TYR CA C 61.804 0.103 1 464 2205 44 TYR CB C 38.363 0.091 1 465 2205 44 TYR CD1 C 137.713 0.156 3 466 2205 44 TYR CD2 C 137.713 0.156 3 467 2205 44 TYR CE1 C 100.430 0.001 3 468 2205 44 TYR CE2 C 100.430 0.001 3 469 2205 44 TYR N N 120.944 0.057 1 470 2206 45 THR H H 8.633 0.006 1 471 2206 45 THR HA H 3.604 0.006 1 472 2206 45 THR HB H 4.285 0.004 1 473 2206 45 THR HG2 H 1.285 0.004 1 474 2206 45 THR C C 175.299 0.000 1 475 2206 45 THR CA C 66.219 0.103 1 476 2206 45 THR CB C 69.090 0.039 1 477 2206 45 THR CG2 C 21.182 0.045 1 478 2206 45 THR N N 115.745 0.041 1 479 2207 46 LYS H H 7.467 0.004 1 480 2207 46 LYS HA H 4.177 0.006 1 481 2207 46 LYS HB2 H 1.755 0.014 2 482 2207 46 LYS HB3 H 1.782 0.011 2 483 2207 46 LYS HD2 H 1.140 0.006 2 484 2207 46 LYS HD3 H 1.363 0.006 2 485 2207 46 LYS HE2 H 2.045 0.010 2 486 2207 46 LYS HE3 H 2.240 0.003 2 487 2207 46 LYS HG2 H 1.141 0.005 2 488 2207 46 LYS HG3 H 1.525 0.014 2 489 2207 46 LYS C C 176.268 0.000 1 490 2207 46 LYS CA C 56.672 0.079 1 491 2207 46 LYS CB C 34.202 0.037 1 492 2207 46 LYS CD C 29.478 0.023 1 493 2207 46 LYS CE C 41.273 0.029 1 494 2207 46 LYS CG C 25.888 0.054 1 495 2207 46 LYS N N 119.342 0.046 1 496 2208 47 THR H H 7.563 0.004 1 497 2208 47 THR HA H 4.444 0.005 1 498 2208 47 THR HB H 3.956 0.004 1 499 2208 47 THR HG2 H 0.843 0.005 1 500 2208 47 THR C C 174.370 0.000 1 501 2208 47 THR CA C 64.817 0.076 1 502 2208 47 THR CB C 67.880 0.037 1 503 2208 47 THR CG2 C 20.154 0.034 1 504 2208 47 THR N N 119.274 0.023 1 505 2209 48 ASP H H 9.380 0.006 1 506 2209 48 ASP HA H 4.435 0.006 1 507 2209 48 ASP HB2 H 2.496 0.004 2 508 2209 48 ASP HB3 H 2.839 0.006 2 509 2209 48 ASP CA C 54.780 0.024 1 510 2209 48 ASP CB C 43.746 0.049 1 511 2209 48 ASP N N 129.109 0.043 1 512 2210 49 SER HA H 4.118 0.005 1 513 2210 49 SER HB2 H 4.040 0.006 1 514 2210 49 SER HB3 H 4.040 0.006 1 515 2210 49 SER C C 175.244 0.000 1 516 2210 49 SER CA C 61.320 0.075 1 517 2210 49 SER CB C 63.133 0.046 1 518 2211 50 LYS H H 8.799 0.003 1 519 2211 50 LYS HA H 4.439 0.002 1 520 2211 50 LYS HB2 H 1.840 0.007 2 521 2211 50 LYS HB3 H 1.967 0.006 2 522 2211 50 LYS HD2 H 1.709 0.013 2 523 2211 50 LYS HD3 H 1.724 0.010 2 524 2211 50 LYS HE2 H 3.008 0.011 1 525 2211 50 LYS HE3 H 3.009 0.011 1 526 2211 50 LYS HG2 H 1.426 0.005 2 527 2211 50 LYS HG3 H 1.512 0.010 2 528 2211 50 LYS C C 176.927 0.000 1 529 2211 50 LYS CA C 56.080 0.105 1 530 2211 50 LYS CB C 32.190 0.055 1 531 2211 50 LYS CD C 28.555 0.054 1 532 2211 50 LYS CE C 41.576 0.018 1 533 2211 50 LYS CG C 24.983 0.018 1 534 2211 50 LYS N N 120.767 0.026 1 535 2212 51 SER H H 7.505 0.003 1 536 2212 51 SER HA H 4.544 0.002 1 537 2212 51 SER HB2 H 3.922 0.010 1 538 2212 51 SER HB3 H 3.922 0.009 1 539 2212 51 SER C C 173.852 0.000 1 540 2212 51 SER CA C 58.991 0.102 1 541 2212 51 SER CB C 63.932 0.077 1 542 2212 51 SER N N 114.828 0.041 1 543 2213 52 ILE H H 8.331 0.002 1 544 2213 52 ILE HA H 5.152 0.012 1 545 2213 52 ILE HB H 1.827 0.002 1 546 2213 52 ILE HD1 H 0.891 0.009 1 547 2213 52 ILE HG12 H 1.146 0.009 2 548 2213 52 ILE HG13 H 1.485 0.014 2 549 2213 52 ILE HG2 H 0.927 0.004 1 550 2213 52 ILE C C 174.365 0.000 1 551 2213 52 ILE CA C 60.166 0.044 1 552 2213 52 ILE CB C 42.766 0.064 1 553 2213 52 ILE CD1 C 14.005 0.015 1 554 2213 52 ILE CG1 C 27.060 0.018 1 555 2213 52 ILE CG2 C 17.695 0.040 1 556 2213 52 ILE N N 125.411 0.042 1 557 2214 53 MET H H 8.736 0.005 1 558 2214 53 MET HA H 4.883 0.007 1 559 2214 53 MET HB2 H 1.402 0.008 2 560 2214 53 MET HB3 H 1.709 0.008 2 561 2214 53 MET HE H 2.153 0.002 1 562 2214 53 MET HG2 H 2.059 0.008 2 563 2214 53 MET HG3 H 2.691 0.005 2 564 2214 53 MET C C 173.294 0.000 1 565 2214 53 MET CA C 52.938 0.063 1 566 2214 53 MET CB C 32.664 0.065 1 567 2214 53 MET CE C 15.123 0.030 1 568 2214 53 MET CG C 30.304 0.046 1 569 2214 53 MET N N 123.628 0.046 1 570 2215 54 ARG H H 8.406 0.004 1 571 2215 54 ARG HA H 4.761 0.007 1 572 2215 54 ARG HB2 H 1.624 0.011 2 573 2215 54 ARG HB3 H 1.764 0.007 2 574 2215 54 ARG HD2 H 3.169 0.002 1 575 2215 54 ARG HD3 H 3.171 0.004 1 576 2215 54 ARG HG2 H 1.481 0.002 2 577 2215 54 ARG HG3 H 1.627 0.011 2 578 2215 54 ARG C C 177.146 0.000 1 579 2215 54 ARG CA C 56.109 0.075 1 580 2215 54 ARG CB C 31.118 0.048 1 581 2215 54 ARG CD C 43.370 0.012 1 582 2215 54 ARG CG C 27.300 0.000 1 583 2215 54 ARG N N 128.202 0.047 1 584 2216 55 MET H H 9.010 0.006 1 585 2216 55 MET HA H 4.498 0.008 1 586 2216 55 MET HB2 H 2.043 0.009 2 587 2216 55 MET HB3 H 2.411 0.006 2 588 2216 55 MET HE H 1.877 0.004 1 589 2216 55 MET HG2 H 2.311 0.007 2 590 2216 55 MET HG3 H 2.418 0.011 2 591 2216 55 MET C C 178.126 0.000 1 592 2216 55 MET CA C 55.896 0.035 1 593 2216 55 MET CB C 35.060 0.032 1 594 2216 55 MET CE C 16.726 0.013 1 595 2216 55 MET CG C 32.233 0.001 1 596 2216 55 MET N N 126.355 0.029 1 597 2217 56 LYS H H 9.252 0.006 1 598 2217 56 LYS HA H 4.106 0.008 1 599 2217 56 LYS HB2 H 1.938 0.006 2 600 2217 56 LYS HB3 H 1.961 0.015 2 601 2217 56 LYS HD2 H 1.736 0.003 1 602 2217 56 LYS HE2 H 2.995 0.005 1 603 2217 56 LYS HG2 H 1.582 0.005 2 604 2217 56 LYS HG3 H 1.597 0.000 2 605 2217 56 LYS C C 177.513 0.000 1 606 2217 56 LYS CA C 58.751 0.068 1 607 2217 56 LYS CB C 31.647 0.079 1 608 2217 56 LYS CD C 28.545 0.023 1 609 2217 56 LYS CE C 41.978 0.010 1 610 2217 56 LYS CG C 24.669 0.046 1 611 2217 56 LYS N N 123.616 0.046 1 612 2218 57 SER H H 7.852 0.006 1 613 2218 57 SER HA H 4.301 0.003 1 614 2218 57 SER HB2 H 3.972 0.006 1 615 2218 57 SER HB3 H 3.972 0.006 1 616 2218 57 SER C C 175.592 0.000 1 617 2218 57 SER CA C 58.663 0.189 1 618 2218 57 SER CB C 63.908 0.065 1 619 2218 57 SER N N 110.530 0.044 1 620 2219 58 GLY H H 8.223 0.003 1 621 2219 58 GLY HA2 H 3.483 0.005 2 622 2219 58 GLY HA3 H 4.527 0.005 2 623 2219 58 GLY C C 173.778 0.000 1 624 2219 58 GLY CA C 44.567 0.073 1 625 2219 58 GLY N N 110.904 0.038 1 626 2220 59 GLN H H 7.580 0.002 1 627 2220 59 GLN HA H 4.156 0.007 1 628 2220 59 GLN HB2 H 1.988 0.010 2 629 2220 59 GLN HB3 H 2.002 0.008 2 630 2220 59 GLN HE21 H 6.796 0.001 1 631 2220 59 GLN HE22 H 7.750 0.002 1 632 2220 59 GLN HG2 H 2.306 0.009 2 633 2220 59 GLN HG3 H 2.390 0.008 2 634 2220 59 GLN C C 174.670 0.000 1 635 2220 59 GLN CA C 56.042 0.088 1 636 2220 59 GLN CB C 29.244 0.089 1 637 2220 59 GLN CG C 33.276 0.049 1 638 2220 59 GLN N N 120.908 0.032 1 639 2220 59 GLN NE2 N 111.926 0.216 1 640 2221 60 MET H H 8.701 0.002 1 641 2221 60 MET HA H 4.918 0.007 1 642 2221 60 MET HB2 H 1.808 0.009 2 643 2221 60 MET HB3 H 2.037 0.007 2 644 2221 60 MET HE H 2.028 0.004 1 645 2221 60 MET HG2 H 2.568 0.008 2 646 2221 60 MET HG3 H 2.638 0.004 2 647 2221 60 MET C C 175.023 0.000 1 648 2221 60 MET CA C 53.734 0.065 1 649 2221 60 MET CB C 32.188 0.058 1 650 2221 60 MET CE C 16.837 0.033 1 651 2221 60 MET CG C 32.053 0.065 1 652 2221 60 MET N N 123.370 0.021 1 653 2222 61 PHE H H 8.966 0.004 1 654 2222 61 PHE HA H 4.462 0.004 1 655 2222 61 PHE HB2 H 2.562 0.008 2 656 2222 61 PHE HB3 H 2.752 0.007 2 657 2222 61 PHE HD1 H 6.851 0.006 3 658 2222 61 PHE HD2 H 6.851 0.006 3 659 2222 61 PHE HE1 H 7.038 0.009 3 660 2222 61 PHE HE2 H 7.038 0.009 3 661 2222 61 PHE HZ H 6.661 0.007 1 662 2222 61 PHE C C 171.948 0.000 1 663 2222 61 PHE CA C 57.911 0.072 1 664 2222 61 PHE CB C 42.857 0.093 1 665 2222 61 PHE CD1 C 136.453 0.078 3 666 2222 61 PHE CD2 C 136.453 0.078 3 667 2222 61 PHE CE1 C 130.401 0.124 3 668 2222 61 PHE CE2 C 130.401 0.124 3 669 2222 61 PHE CZ C 123.199 0.068 1 670 2222 61 PHE N N 129.156 0.044 1 671 2223 62 ALA H H 8.942 0.004 1 672 2223 62 ALA HA H 5.125 0.010 1 673 2223 62 ALA HB H 1.530 0.003 1 674 2223 62 ALA CA C 50.299 0.057 1 675 2223 62 ALA CB C 23.444 0.030 1 676 2223 62 ALA N N 131.133 0.033 1 677 2224 63 LYS H H 8.969 0.012 1 678 2224 63 LYS HA H 3.969 0.003 1 679 2224 63 LYS HB2 H 1.805 0.005 2 680 2224 63 LYS HB3 H 1.987 0.006 2 681 2224 63 LYS HD2 H 1.260 0.003 2 682 2224 63 LYS HD3 H 1.556 0.005 2 683 2224 63 LYS HE2 H 2.239 0.002 2 684 2224 63 LYS HE3 H 2.387 0.002 2 685 2224 63 LYS HG2 H 1.164 0.011 2 686 2224 63 LYS HG3 H 1.317 0.009 2 687 2224 63 LYS C C 178.392 0.000 1 688 2224 63 LYS CA C 60.911 0.040 1 689 2224 63 LYS CB C 32.950 0.067 1 690 2224 63 LYS CD C 29.953 0.047 1 691 2224 63 LYS CE C 41.289 0.019 1 692 2224 63 LYS CG C 24.745 0.044 1 693 2224 63 LYS N N 119.955 0.036 1 694 2225 64 GLU H H 8.465 0.002 1 695 2225 64 GLU HA H 4.329 0.003 1 696 2225 64 GLU HB2 H 1.970 0.001 2 697 2225 64 GLU HB3 H 2.048 0.004 2 698 2225 64 GLU HG2 H 2.400 0.006 1 699 2225 64 GLU HG3 H 2.400 0.006 1 700 2225 64 GLU C C 178.464 0.000 1 701 2225 64 GLU CA C 58.546 0.059 1 702 2225 64 GLU CB C 28.946 0.077 1 703 2225 64 GLU CG C 35.813 0.036 1 704 2225 64 GLU N N 113.771 0.032 1 705 2226 65 ASP H H 7.654 0.004 1 706 2226 65 ASP HA H 4.197 0.017 1 707 2226 65 ASP HB2 H 1.508 0.015 2 708 2226 65 ASP HB3 H 1.938 0.008 2 709 2226 65 ASP C C 177.513 0.000 1 710 2226 65 ASP CA C 56.921 0.064 1 711 2226 65 ASP CB C 41.119 0.039 1 712 2226 65 ASP N N 117.013 0.040 1 713 2227 66 LEU H H 7.661 0.003 1 714 2227 66 LEU HA H 4.078 0.007 1 715 2227 66 LEU HB2 H 1.729 0.008 2 716 2227 66 LEU HB3 H 2.250 0.008 2 717 2227 66 LEU HD1 H 1.055 0.005 2 718 2227 66 LEU HD2 H 1.060 0.009 2 719 2227 66 LEU HG H 1.123 0.004 1 720 2227 66 LEU C C 177.512 0.000 1 721 2227 66 LEU CA C 57.004 0.050 1 722 2227 66 LEU CB C 43.527 0.040 1 723 2227 66 LEU CD1 C 24.011 0.018 2 724 2227 66 LEU CD2 C 24.015 0.023 2 725 2227 66 LEU CG C 25.839 0.017 1 726 2227 66 LEU N N 116.609 0.030 1 727 2228 67 LYS H H 6.825 0.010 1 728 2228 67 LYS HA H 3.390 0.009 1 729 2228 67 LYS HB2 H 1.472 0.002 1 730 2228 67 LYS HD2 H 1.341 0.024 1 731 2228 67 LYS HE2 H 2.755 0.002 1 732 2228 67 LYS HE3 H 2.755 0.002 1 733 2228 67 LYS HG2 H 0.741 0.006 2 734 2228 67 LYS HG3 H 1.056 0.002 2 735 2228 67 LYS C C 177.147 0.000 1 736 2228 67 LYS CA C 59.118 0.040 1 737 2228 67 LYS CB C 33.307 0.036 1 738 2228 67 LYS CD C 28.982 0.026 1 739 2228 67 LYS CE C 41.724 0.016 1 740 2228 67 LYS CG C 24.765 0.028 1 741 2228 67 LYS N N 113.584 0.022 1 742 2229 68 ARG H H 7.632 0.005 1 743 2229 68 ARG HA H 4.442 0.007 1 744 2229 68 ARG HB2 H 1.718 0.008 2 745 2229 68 ARG HB3 H 2.093 0.014 2 746 2229 68 ARG HD2 H 3.180 0.005 1 747 2229 68 ARG HG2 H 1.566 0.006 1 748 2229 68 ARG C C 176.268 0.000 1 749 2229 68 ARG CA C 55.389 0.125 1 750 2229 68 ARG CB C 29.526 0.044 1 751 2229 68 ARG CD C 43.123 0.019 1 752 2229 68 ARG CG C 27.721 0.006 1 753 2229 68 ARG N N 113.978 0.047 1 754 2230 69 LYS H H 6.987 0.003 1 755 2230 69 LYS HA H 4.511 0.010 1 756 2230 69 LYS HB2 H 2.004 0.016 1 757 2230 69 LYS HB3 H 2.003 0.018 1 758 2230 69 LYS HD2 H 1.818 0.006 2 759 2230 69 LYS HD3 H 2.015 0.009 2 760 2230 69 LYS HE2 H 2.989 0.003 2 761 2230 69 LYS HE3 H 3.101 0.005 2 762 2230 69 LYS C C 173.559 0.000 1 763 2230 69 LYS CA C 53.825 0.055 1 764 2230 69 LYS CB C 34.766 0.021 1 765 2230 69 LYS CD C 27.926 0.012 1 766 2230 69 LYS CE C 42.259 0.037 1 767 2230 69 LYS CG C 25.236 0.047 1 768 2230 69 LYS N N 118.210 0.028 1 769 2231 70 LYS H H 8.284 0.004 1 770 2231 70 LYS HA H 4.490 0.006 1 771 2231 70 LYS HB2 H 1.724 0.008 1 772 2231 70 LYS HB3 H 1.724 0.008 1 773 2231 70 LYS HD2 H 1.649 0.016 1 774 2231 70 LYS HD3 H 1.649 0.016 1 775 2231 70 LYS HG2 H 1.257 0.004 2 776 2231 70 LYS HG3 H 1.376 0.007 2 777 2231 70 LYS CA C 55.359 0.080 1 778 2231 70 LYS CB C 34.807 0.041 1 779 2231 70 LYS CD C 29.194 0.007 1 780 2231 70 LYS CE C 41.957 0.001 1 781 2231 70 LYS CG C 24.839 0.082 1 782 2231 70 LYS N N 118.423 0.043 1 783 2232 71 LEU H H 8.815 0.002 1 784 2232 71 LEU HA H 4.300 0.004 1 785 2232 71 LEU HB2 H 1.306 0.007 2 786 2232 71 LEU HB3 H 1.881 0.008 2 787 2232 71 LEU HD1 H 0.848 0.003 1 788 2232 71 LEU HD2 H 0.848 0.003 1 789 2232 71 LEU HG H 0.895 0.004 1 790 2232 71 LEU C C 175.098 0.000 1 791 2232 71 LEU CA C 55.727 0.026 1 792 2232 71 LEU CB C 44.756 0.044 1 793 2232 71 LEU CD1 C 25.704 0.008 1 794 2232 71 LEU CD2 C 25.706 0.016 1 795 2232 71 LEU CG C 26.971 0.039 1 796 2232 71 LEU N N 125.846 0.033 1 797 2233 72 VAL H H 9.427 0.020 1 798 2233 72 VAL HA H 3.969 0.003 1 799 2233 72 VAL HB H 1.835 0.008 1 800 2233 72 VAL HG1 H 0.764 0.005 2 801 2233 72 VAL HG2 H 0.843 0.009 2 802 2233 72 VAL C C 176.341 0.000 1 803 2233 72 VAL CA C 64.583 0.040 1 804 2233 72 VAL CB C 33.117 0.076 1 805 2233 72 VAL CG1 C 21.110 0.041 1 806 2233 72 VAL CG2 C 21.110 0.042 1 807 2233 72 VAL N N 125.864 0.034 1 808 2234 73 ARG H H 8.054 0.004 1 809 2234 73 ARG HA H 4.467 0.005 1 810 2234 73 ARG HB2 H 1.320 0.007 2 811 2234 73 ARG HB3 H 1.798 0.006 2 812 2234 73 ARG HD2 H 1.845 0.007 2 813 2234 73 ARG HD3 H 2.240 0.001 2 814 2234 73 ARG HG2 H 1.170 0.004 2 815 2234 73 ARG HG3 H 1.474 0.003 2 816 2234 73 ARG C C 172.021 0.000 1 817 2234 73 ARG CA C 56.497 0.087 1 818 2234 73 ARG CB C 33.640 0.071 1 819 2234 73 ARG CD C 42.836 0.027 1 820 2234 73 ARG CG C 26.673 0.035 1 821 2234 73 ARG N N 117.037 0.025 1 822 2235 74 ASP H H 8.512 0.004 1 823 2235 74 ASP HA H 6.212 0.005 1 824 2235 74 ASP HB2 H 2.472 0.005 2 825 2235 74 ASP HB3 H 2.906 0.005 2 826 2235 74 ASP C C 174.511 0.000 1 827 2235 74 ASP CA C 52.272 0.029 1 828 2235 74 ASP CB C 46.590 0.038 1 829 2235 74 ASP N N 124.018 0.029 1 830 2236 75 GLY H H 8.865 0.003 1 831 2236 75 GLY HA2 H 4.322 0.005 2 832 2236 75 GLY HA3 H 4.492 0.005 2 833 2236 75 GLY C C 171.069 0.000 1 834 2236 75 GLY CA C 46.041 0.063 1 835 2236 75 GLY N N 107.222 0.032 1 836 2237 76 SER H H 8.812 0.002 1 837 2237 76 SER HA H 5.112 0.004 1 838 2237 76 SER HB2 H 3.812 0.005 1 839 2237 76 SER C C 175.463 0.000 1 840 2237 76 SER CA C 58.324 0.075 1 841 2237 76 SER CB C 63.333 0.063 1 842 2237 76 SER N N 117.165 0.041 1 843 2238 77 VAL H H 8.856 0.003 1 844 2238 77 VAL HA H 4.541 0.005 1 845 2238 77 VAL HB H 2.091 0.009 1 846 2238 77 VAL HG1 H 0.398 0.004 1 847 2238 77 VAL HG2 H 0.398 0.005 1 848 2238 77 VAL C C 172.533 0.000 1 849 2238 77 VAL CA C 59.475 0.032 1 850 2238 77 VAL CB C 36.107 0.039 1 851 2238 77 VAL CG1 C 19.840 0.014 2 852 2238 77 VAL CG2 C 21.649 0.052 2 853 2238 77 VAL N N 119.957 0.024 1 854 2239 78 PHE H H 9.034 0.020 1 855 2239 78 PHE HA H 5.505 0.009 1 856 2239 78 PHE HB2 H 2.620 0.014 2 857 2239 78 PHE HB3 H 2.781 0.009 2 858 2239 78 PHE HD1 H 6.919 0.013 3 859 2239 78 PHE HD2 H 6.919 0.013 3 860 2239 78 PHE HE1 H 7.268 0.007 3 861 2239 78 PHE HE2 H 7.268 0.007 3 862 2239 78 PHE HZ H 7.269 0.003 1 863 2239 78 PHE C C 175.902 0.000 1 864 2239 78 PHE CA C 55.711 0.047 1 865 2239 78 PHE CB C 42.929 0.023 1 866 2239 78 PHE CD1 C 132.682 0.168 3 867 2239 78 PHE CD2 C 132.682 0.168 3 868 2239 78 PHE CE1 C 132.399 0.060 3 869 2239 78 PHE CE2 C 132.399 0.060 3 870 2239 78 PHE CZ C 134.196 0.000 1 871 2239 78 PHE N N 115.150 0.044 1 872 2240 79 LEU H H 8.928 0.016 1 873 2240 79 LEU HA H 4.928 0.008 1 874 2240 79 LEU HB2 H 1.131 0.011 2 875 2240 79 LEU HB3 H 1.430 0.011 2 876 2240 79 LEU HD1 H -0.218 0.004 1 877 2240 79 LEU HD2 H -0.218 0.004 1 878 2240 79 LEU HG H 0.262 0.005 1 879 2240 79 LEU C C 176.195 0.000 1 880 2240 79 LEU CA C 52.856 0.029 1 881 2240 79 LEU CB C 44.441 0.070 1 882 2240 79 LEU CD1 C 22.100 0.023 1 883 2240 79 LEU CD2 C 22.100 0.023 1 884 2240 79 LEU CG C 25.356 0.027 1 885 2240 79 LEU N N 119.918 0.109 1 886 2241 80 LYS H H 7.919 0.006 1 887 2241 80 LYS HA H 4.891 0.013 1 888 2241 80 LYS HB2 H 0.804 0.012 2 889 2241 80 LYS HB3 H 1.587 0.007 2 890 2241 80 LYS HD2 H 1.271 0.005 2 891 2241 80 LYS HD3 H 1.487 0.011 2 892 2241 80 LYS HE2 H 2.643 0.001 2 893 2241 80 LYS HE3 H 2.781 0.003 2 894 2241 80 LYS C C 175.609 0.000 1 895 2241 80 LYS CA C 54.787 0.029 1 896 2241 80 LYS CB C 34.399 0.041 1 897 2241 80 LYS CD C 29.303 0.051 1 898 2241 80 LYS CE C 41.624 0.035 1 899 2241 80 LYS CG C 24.752 0.046 1 900 2241 80 LYS N N 123.464 0.025 1 901 2242 81 ASN H H 8.568 0.003 1 902 2242 81 ASN HA H 4.732 0.007 1 903 2242 81 ASN HB2 H 2.677 0.009 2 904 2242 81 ASN HB3 H 3.900 0.009 2 905 2242 81 ASN C C 177.221 0.001 1 906 2242 81 ASN CA C 50.875 0.069 1 907 2242 81 ASN CB C 39.476 0.043 1 908 2242 81 ASN N N 126.199 0.033 1 909 2243 82 ALA H H 9.776 0.018 1 910 2243 82 ALA HA H 4.089 0.003 1 911 2243 82 ALA HB H 1.404 0.002 1 912 2243 82 ALA C C 178.904 0.000 1 913 2243 82 ALA CA C 54.897 0.126 1 914 2243 82 ALA CB C 17.718 0.088 1 915 2243 82 ALA N N 124.244 0.029 1 916 2244 83 ALA H H 7.741 0.003 1 917 2244 83 ALA HA H 4.313 0.004 1 918 2244 83 ALA HB H 1.420 0.004 1 919 2244 83 ALA C C 177.732 0.000 1 920 2244 83 ALA CA C 52.029 0.046 1 921 2244 83 ALA CB C 18.239 0.107 1 922 2244 83 ALA N N 119.717 0.041 1 923 2245 84 GLY H H 8.272 0.002 1 924 2245 84 GLY HA2 H 3.386 0.006 2 925 2245 84 GLY HA3 H 4.205 0.005 2 926 2245 84 GLY C C 173.755 0.000 1 927 2245 84 GLY CA C 45.083 0.034 1 928 2245 84 GLY N N 107.444 0.024 1 929 2246 85 ARG H H 8.040 0.004 1 930 2246 85 ARG HA H 4.301 0.005 1 931 2246 85 ARG HB2 H 1.672 0.008 2 932 2246 85 ARG HB3 H 1.779 0.004 2 933 2246 85 ARG HD2 H 3.163 0.003 1 934 2246 85 ARG HD3 H 3.164 0.003 1 935 2246 85 ARG HG2 H 1.491 0.004 2 936 2246 85 ARG HG3 H 1.628 0.009 2 937 2246 85 ARG C C 175.024 0.000 1 938 2246 85 ARG CA C 54.727 0.056 1 939 2246 85 ARG CB C 31.235 0.049 1 940 2246 85 ARG CD C 42.952 0.025 1 941 2246 85 ARG CG C 27.580 0.053 1 942 2246 85 ARG N N 121.286 0.026 1 943 2247 86 LEU H H 8.340 0.008 1 944 2247 86 LEU HA H 4.951 0.007 1 945 2247 86 LEU HB2 H 0.974 0.006 2 946 2247 86 LEU HB3 H 1.534 0.012 2 947 2247 86 LEU HD1 H 0.142 0.003 2 948 2247 86 LEU HD2 H 0.401 0.003 2 949 2247 86 LEU HG H 1.318 0.013 1 950 2247 86 LEU C C 177.151 0.000 1 951 2247 86 LEU CA C 53.495 0.076 1 952 2247 86 LEU CB C 42.778 0.051 1 953 2247 86 LEU CD1 C 22.476 0.042 2 954 2247 86 LEU CD2 C 24.757 0.024 2 955 2247 86 LEU CG C 27.029 0.017 1 956 2247 86 LEU N N 122.224 0.031 1 957 2248 87 LYS H H 9.073 0.004 1 958 2248 87 LYS HA H 4.748 0.006 1 959 2248 87 LYS HB2 H 1.747 0.005 1 960 2248 87 LYS HB3 H 1.746 0.005 1 961 2248 87 LYS HD2 H 1.647 0.006 1 962 2248 87 LYS HD3 H 1.647 0.006 1 963 2248 87 LYS HE2 H 2.859 0.008 2 964 2248 87 LYS HE3 H 2.918 0.012 2 965 2248 87 LYS HG2 H 1.369 0.015 2 966 2248 87 LYS HG3 H 1.422 0.012 2 967 2248 87 LYS C C 175.030 0.000 1 968 2248 87 LYS CA C 54.184 0.057 1 969 2248 87 LYS CB C 34.272 0.051 1 970 2248 87 LYS CD C 29.189 0.019 1 971 2248 87 LYS CE C 41.336 0.024 1 972 2248 87 LYS CG C 23.749 0.040 1 973 2248 87 LYS N N 123.329 0.026 1 974 2249 88 GLU H H 9.074 0.003 1 975 2249 88 GLU HA H 4.158 0.005 1 976 2249 88 GLU HB2 H 1.915 0.005 2 977 2249 88 GLU HB3 H 1.953 0.017 2 978 2249 88 GLU HG2 H 1.773 0.008 2 979 2249 88 GLU HG3 H 2.024 0.007 2 980 2249 88 GLU C C 176.340 0.000 1 981 2249 88 GLU CA C 57.326 0.053 1 982 2249 88 GLU CB C 29.997 0.056 1 983 2249 88 GLU CG C 36.104 0.050 1 984 2249 88 GLU N N 128.303 0.042 1 985 2250 89 VAL H H 8.946 0.021 1 986 2250 89 VAL HA H 4.953 0.005 1 987 2250 89 VAL HB H 2.211 0.006 1 988 2250 89 VAL HG1 H 0.512 0.006 2 989 2250 89 VAL HG2 H 0.695 0.005 2 990 2250 89 VAL C C 173.192 0.000 1 991 2250 89 VAL CA C 59.201 0.033 1 992 2250 89 VAL CB C 36.382 0.041 1 993 2250 89 VAL CG1 C 20.323 0.023 2 994 2250 89 VAL CG2 C 21.798 0.038 2 995 2250 89 VAL N N 120.286 0.033 1 996 2251 90 GLN H H 9.446 0.017 1 997 2251 90 GLN HA H 4.744 0.008 1 998 2251 90 GLN HE21 H 6.779 0.004 1 999 2251 90 GLN HE22 H 7.749 0.006 1 1000 2251 90 GLN HG2 H 2.002 0.014 2 1001 2251 90 GLN HG3 H 2.033 0.003 2 1002 2251 90 GLN C C 176.200 0.000 1 1003 2251 90 GLN CA C 54.037 0.065 1 1004 2251 90 GLN CB C 29.134 0.019 1 1005 2251 90 GLN CG C 31.615 0.023 1 1006 2251 90 GLN N N 120.816 0.049 1 1007 2251 90 GLN NE2 N 109.544 0.105 1 1008 2252 91 ALA H H 9.361 0.011 1 1009 2252 91 ALA HA H 4.436 0.006 1 1010 2252 91 ALA HB H 0.827 0.007 1 1011 2252 91 ALA C C 176.268 0.000 1 1012 2252 91 ALA CA C 51.359 0.027 1 1013 2252 91 ALA CB C 19.963 0.104 1 1014 2252 91 ALA N N 129.980 0.036 1 1015 2253 92 VAL H H 8.958 0.017 1 1016 2253 92 VAL HA H 4.091 0.007 1 1017 2253 92 VAL HB H 2.053 0.010 1 1018 2253 92 VAL HG1 H 0.709 0.014 2 1019 2253 92 VAL HG2 H 0.655 0.015 2 1020 2253 92 VAL C C 173.268 0.000 1 1021 2253 92 VAL CA C 62.086 0.048 1 1022 2253 92 VAL CB C 32.432 0.096 1 1023 2253 92 VAL CG1 C 20.295 0.046 2 1024 2253 92 VAL CG2 C 21.709 0.040 2 1025 2253 92 VAL N N 123.385 0.040 1 1026 2254 93 LEU H H 9.312 0.021 1 1027 2254 93 LEU HA H 4.723 0.000 1 1028 2254 93 LEU HB2 H 2.469 0.002 1 1029 2254 93 LEU HB3 H 2.469 0.002 1 1030 2254 93 LEU HD1 H 0.958 0.005 2 1031 2254 93 LEU HD2 H 1.148 0.003 2 1032 2254 93 LEU HG H 1.748 0.008 1 1033 2254 93 LEU C C 174.364 0.000 1 1034 2254 93 LEU CA C 54.551 0.118 1 1035 2254 93 LEU CB C 43.384 0.080 1 1036 2254 93 LEU CD1 C 29.203 0.033 2 1037 2254 93 LEU CD2 C 25.425 0.024 2 1038 2254 93 LEU CG C 27.517 0.029 1 1039 2254 93 LEU N N 128.697 0.030 1 1040 2255 94 LEU H H 8.926 0.013 1 1041 2255 94 LEU HA H 5.406 0.006 1 1042 2255 94 LEU HB2 H 2.119 0.003 2 1043 2255 94 LEU HB3 H 2.225 0.012 2 1044 2255 94 LEU HD1 H 0.816 0.009 2 1045 2255 94 LEU HD2 H 0.870 0.004 2 1046 2255 94 LEU C C 175.316 0.000 1 1047 2255 94 LEU CA C 53.444 0.055 1 1048 2255 94 LEU CB C 41.088 0.020 1 1049 2255 94 LEU CD1 C 24.514 0.044 2 1050 2255 94 LEU CD2 C 25.163 0.020 2 1051 2255 94 LEU N N 130.570 0.040 1 1052 2256 95 THR H H 7.823 0.002 1 1053 2256 95 THR HA H 3.772 0.004 1 1054 2256 95 THR HB H 4.261 0.011 1 1055 2256 95 THR HG2 H 1.208 0.002 1 1056 2256 95 THR C C 175.316 0.000 1 1057 2256 95 THR CA C 64.747 0.056 1 1058 2256 95 THR CB C 69.209 0.109 1 1059 2256 95 THR CG2 C 23.559 0.007 1 1060 2256 95 THR N N 103.862 0.061 1 1061 2257 96 ASP H H 8.743 0.005 1 1062 2257 96 ASP HA H 4.809 0.011 1 1063 2257 96 ASP HB2 H 2.608 0.002 2 1064 2257 96 ASP HB3 H 2.728 0.005 2 1065 2257 96 ASP C C 176.268 0.000 1 1066 2257 96 ASP CA C 53.075 0.038 1 1067 2257 96 ASP CB C 41.322 0.065 1 1068 2257 96 ASP N N 110.536 0.036 1 1069 2258 97 ILE H H 7.065 0.009 1 1070 2258 97 ILE HA H 4.810 0.008 1 1071 2258 97 ILE HB H 1.405 0.005 1 1072 2258 97 ILE HD1 H 0.539 0.006 1 1073 2258 97 ILE HG12 H 0.947 0.005 2 1074 2258 97 ILE HG13 H 1.292 0.010 2 1075 2258 97 ILE HG2 H 0.527 0.006 1 1076 2258 97 ILE C C 171.289 0.000 1 1077 2258 97 ILE CA C 59.826 0.048 1 1078 2258 97 ILE CB C 44.849 0.061 1 1079 2258 97 ILE CD1 C 15.005 0.023 1 1080 2258 97 ILE CG1 C 27.400 0.026 1 1081 2258 97 ILE CG2 C 18.670 0.028 1 1082 2258 97 ILE N N 120.792 0.045 1 1083 2259 98 LEU H H 8.862 0.017 1 1084 2259 98 LEU HA H 4.939 0.007 1 1085 2259 98 LEU HB2 H 1.146 0.006 2 1086 2259 98 LEU HB3 H 1.391 0.010 2 1087 2259 98 LEU HD1 H 0.415 0.010 2 1088 2259 98 LEU HD2 H 0.471 0.015 2 1089 2259 98 LEU HG H 0.800 0.006 1 1090 2259 98 LEU C C 173.193 0.000 1 1091 2259 98 LEU CA C 53.483 0.063 1 1092 2259 98 LEU CB C 45.459 0.035 1 1093 2259 98 LEU CD1 C 22.711 0.031 2 1094 2259 98 LEU CD2 C 27.411 0.029 2 1095 2259 98 LEU CG C 26.930 0.072 1 1096 2259 98 LEU N N 125.799 0.037 1 1097 2260 99 VAL H H 8.558 0.013 1 1098 2260 99 VAL HA H 4.725 0.004 1 1099 2260 99 VAL HB H 1.946 0.006 1 1100 2260 99 VAL HG1 H 0.747 0.007 2 1101 2260 99 VAL HG2 H 0.872 0.006 2 1102 2260 99 VAL C C 173.486 0.000 1 1103 2260 99 VAL CA C 59.436 0.032 1 1104 2260 99 VAL CB C 35.239 0.024 1 1105 2260 99 VAL CG1 C 22.192 0.036 2 1106 2260 99 VAL CG2 C 22.116 0.075 2 1107 2260 99 VAL N N 123.683 0.027 1 1108 2261 100 PHE H H 7.989 0.003 1 1109 2261 100 PHE HA H 5.528 0.005 1 1110 2261 100 PHE HB2 H 2.541 0.009 2 1111 2261 100 PHE HB3 H 2.862 0.008 2 1112 2261 100 PHE HD1 H 6.977 0.007 3 1113 2261 100 PHE HD2 H 6.977 0.007 3 1114 2261 100 PHE HE1 H 6.975 0.006 3 1115 2261 100 PHE HE2 H 6.975 0.006 3 1116 2261 100 PHE HZ H 6.726 0.012 1 1117 2261 100 PHE C C 174.876 0.000 1 1118 2261 100 PHE CA C 56.092 0.044 1 1119 2261 100 PHE CB C 41.334 0.008 1 1120 2261 100 PHE CD1 C 133.568 0.064 3 1121 2261 100 PHE CD2 C 133.568 0.064 3 1122 2261 100 PHE CE1 C 133.568 0.064 3 1123 2261 100 PHE CE2 C 133.568 0.064 3 1124 2261 100 PHE CZ C 128.108 0.050 1 1125 2261 100 PHE N N 120.374 0.044 1 1126 2262 101 LEU H H 9.055 0.012 1 1127 2262 101 LEU HA H 5.205 0.005 1 1128 2262 101 LEU HB2 H 0.969 0.010 2 1129 2262 101 LEU HB3 H 1.049 0.004 2 1130 2262 101 LEU HD1 H 0.213 0.008 1 1131 2262 101 LEU HD2 H 0.213 0.008 1 1132 2262 101 LEU HG H 0.080 0.003 1 1133 2262 101 LEU C C 176.121 0.000 1 1134 2262 101 LEU CA C 52.727 0.054 1 1135 2262 101 LEU CB C 44.411 0.057 1 1136 2262 101 LEU CD1 C 23.307 0.040 1 1137 2262 101 LEU CD2 C 23.307 0.041 1 1138 2262 101 LEU CG C 26.219 0.016 1 1139 2262 101 LEU N N 122.718 0.044 1 1140 2263 102 GLN H H 9.390 0.005 1 1141 2263 102 GLN HA H 4.995 0.003 1 1142 2263 102 GLN HB2 H 1.912 0.011 2 1143 2263 102 GLN HB3 H 2.018 0.007 2 1144 2263 102 GLN HG2 H 2.316 0.011 2 1145 2263 102 GLN HG3 H 2.363 0.007 2 1146 2263 102 GLN C C 174.487 0.000 1 1147 2263 102 GLN CA C 53.664 0.047 1 1148 2263 102 GLN CB C 32.969 0.063 1 1149 2263 102 GLN CG C 34.747 0.027 1 1150 2263 102 GLN N N 120.597 0.053 1 1151 2264 103 GLU H H 9.025 0.008 1 1152 2264 103 GLU HA H 4.962 0.013 1 1153 2264 103 GLU HB2 H 1.856 0.008 2 1154 2264 103 GLU HB3 H 2.022 0.006 2 1155 2264 103 GLU HG2 H 1.947 0.005 1 1156 2264 103 GLU HG3 H 1.949 0.008 1 1157 2264 103 GLU C C 176.124 0.000 1 1158 2264 103 GLU CA C 56.115 0.063 1 1159 2264 103 GLU CB C 30.846 0.069 1 1160 2264 103 GLU CG C 37.026 0.025 1 1161 2264 103 GLU N N 125.640 0.029 1 1162 2265 104 LYS H H 9.217 0.004 1 1163 2265 104 LYS HA H 4.430 0.004 1 1164 2265 104 LYS HB2 H 1.574 0.005 2 1165 2265 104 LYS HB3 H 1.664 0.005 2 1166 2265 104 LYS HD2 H 1.682 0.007 1 1167 2265 104 LYS HG2 H 1.258 0.007 2 1168 2265 104 LYS HG3 H 1.346 0.042 2 1169 2265 104 LYS C C 175.381 0.000 1 1170 2265 104 LYS CA C 55.855 0.069 1 1171 2265 104 LYS CB C 35.127 0.046 1 1172 2265 104 LYS CD C 29.218 0.019 1 1173 2265 104 LYS CE C 41.940 0.035 1 1174 2265 104 LYS CG C 24.853 0.032 1 1175 2265 104 LYS N N 128.486 0.034 1 1176 2266 105 ASP H H 9.397 0.006 1 1177 2266 105 ASP HA H 4.210 0.005 1 1178 2266 105 ASP HB2 H 2.650 0.007 2 1179 2266 105 ASP HB3 H 2.847 0.004 2 1180 2266 105 ASP C C 174.876 0.000 1 1181 2266 105 ASP CA C 56.067 0.137 1 1182 2266 105 ASP CB C 39.419 0.045 1 1183 2266 105 ASP N N 128.353 0.047 1 1184 2267 106 GLN H H 8.667 0.005 1 1185 2267 106 GLN HA H 3.830 0.004 1 1186 2267 106 GLN HB2 H 2.243 0.002 2 1187 2267 106 GLN HB3 H 2.296 0.016 2 1188 2267 106 GLN HE21 H 6.814 0.001 1 1189 2267 106 GLN HE22 H 7.524 0.001 1 1190 2267 106 GLN HG2 H 2.247 0.005 1 1191 2267 106 GLN HG3 H 2.248 0.006 1 1192 2267 106 GLN C C 174.657 0.000 1 1193 2267 106 GLN CA C 57.473 0.077 1 1194 2267 106 GLN CB C 26.963 0.055 1 1195 2267 106 GLN CG C 34.716 0.050 1 1196 2267 106 GLN N N 109.268 0.025 1 1197 2267 106 GLN NE2 N 112.690 0.050 1 1198 2268 107 LYS H H 7.814 0.003 1 1199 2268 107 LYS HA H 4.871 0.006 1 1200 2268 107 LYS HB2 H 1.761 0.004 2 1201 2268 107 LYS HB3 H 1.883 0.010 2 1202 2268 107 LYS HD2 H 1.607 0.026 1 1203 2268 107 LYS HG2 H 1.438 0.004 1 1204 2268 107 LYS C C 175.682 0.000 1 1205 2268 107 LYS CA C 53.942 0.058 1 1206 2268 107 LYS CB C 36.182 0.048 1 1207 2268 107 LYS CD C 28.999 0.047 1 1208 2268 107 LYS CE C 41.944 0.031 1 1209 2268 107 LYS CG C 24.778 0.023 1 1210 2268 107 LYS N N 119.759 0.026 1 1211 2269 108 TYR H H 8.408 0.005 1 1212 2269 108 TYR HA H 5.612 0.008 1 1213 2269 108 TYR HB2 H 2.738 0.012 1 1214 2269 108 TYR HB3 H 2.746 0.016 1 1215 2269 108 TYR HD1 H 6.815 0.007 3 1216 2269 108 TYR HD2 H 6.815 0.007 3 1217 2269 108 TYR HE1 H 6.600 0.004 3 1218 2269 108 TYR HE2 H 6.600 0.004 3 1219 2269 108 TYR C C 175.536 0.000 1 1220 2269 108 TYR CA C 55.476 0.084 1 1221 2269 108 TYR CB C 41.039 0.021 1 1222 2269 108 TYR CD1 C 134.472 0.087 3 1223 2269 108 TYR CD2 C 134.472 0.087 3 1224 2269 108 TYR CE1 C 97.436 0.079 3 1225 2269 108 TYR CE2 C 97.436 0.079 3 1226 2269 108 TYR N N 117.782 0.032 1 1227 2270 109 ILE H H 8.970 0.009 1 1228 2270 109 ILE HA H 4.551 0.008 1 1229 2270 109 ILE HB H 2.021 0.004 1 1230 2270 109 ILE HD1 H 0.844 0.004 1 1231 2270 109 ILE HG12 H 0.943 0.016 2 1232 2270 109 ILE HG13 H 1.245 0.010 2 1233 2270 109 ILE HG2 H 0.993 0.005 1 1234 2270 109 ILE C C 175.755 0.000 1 1235 2270 109 ILE CA C 58.654 0.065 1 1236 2270 109 ILE CB C 41.336 0.049 1 1237 2270 109 ILE CD1 C 13.783 0.036 1 1238 2270 109 ILE CG1 C 25.998 0.048 1 1239 2270 109 ILE CG2 C 18.722 0.017 1 1240 2270 109 ILE N N 113.862 0.055 1 1241 2271 110 PHE H H 8.107 0.003 1 1242 2271 110 PHE HA H 4.486 0.023 1 1243 2271 110 PHE HB2 H 2.620 0.006 2 1244 2271 110 PHE HB3 H 3.044 0.005 2 1245 2271 110 PHE HD1 H 7.150 0.013 3 1246 2271 110 PHE HD2 H 7.150 0.013 3 1247 2271 110 PHE HE1 H 7.231 0.006 3 1248 2271 110 PHE HE2 H 7.231 0.006 3 1249 2271 110 PHE HZ H 6.927 0.010 1 1250 2271 110 PHE C C 176.195 0.000 1 1251 2271 110 PHE CA C 59.980 0.059 1 1252 2271 110 PHE CB C 38.447 0.075 1 1253 2271 110 PHE CD1 C 133.583 0.091 3 1254 2271 110 PHE CD2 C 133.583 0.091 3 1255 2271 110 PHE CE1 C 130.699 0.111 3 1256 2271 110 PHE CE2 C 130.699 0.111 3 1257 2271 110 PHE CZ C 123.806 0.062 1 1258 2271 110 PHE N N 121.565 0.033 1 1259 2272 111 ALA H H 8.595 0.006 1 1260 2272 111 ALA HA H 4.189 0.006 1 1261 2272 111 ALA HB H 1.108 0.004 1 1262 2272 111 ALA C C 176.341 0.000 1 1263 2272 111 ALA CA C 52.116 0.059 1 1264 2272 111 ALA CB C 19.589 0.070 1 1265 2272 111 ALA N N 124.531 0.031 1 1266 2273 112 SER H H 8.164 0.002 1 1267 2273 112 SER HA H 4.585 0.008 1 1268 2273 112 SER HB2 H 3.881 0.003 1 1269 2273 112 SER HB3 H 3.881 0.003 1 1270 2273 112 SER C C 173.821 0.000 1 1271 2273 112 SER CA C 56.519 0.125 1 1272 2273 112 SER CB C 64.108 0.048 1 1273 2273 112 SER N N 115.484 0.042 1 1274 2274 113 LEU H H 9.243 0.009 1 1275 2274 113 LEU HA H 4.438 0.006 1 1276 2274 113 LEU HB2 H 0.862 0.015 2 1277 2274 113 LEU HB3 H 1.694 0.009 2 1278 2274 113 LEU HD1 H 0.743 0.008 2 1279 2274 113 LEU HD2 H 0.827 0.016 2 1280 2274 113 LEU HG H 1.455 0.004 1 1281 2274 113 LEU C C 173.593 0.000 1 1282 2274 113 LEU CA C 53.276 0.057 1 1283 2274 113 LEU CB C 43.209 0.083 1 1284 2274 113 LEU CD1 C 23.632 0.072 2 1285 2274 113 LEU CD2 C 26.844 0.016 2 1286 2274 113 LEU CG C 27.372 0.013 1 1287 2274 113 LEU N N 128.126 0.025 1 1288 2275 114 ASP H H 9.061 0.013 1 1289 2275 114 ASP HA H 4.240 0.002 1 1290 2275 114 ASP HB2 H 2.823 0.012 2 1291 2275 114 ASP HB3 H 2.828 0.008 2 1292 2275 114 ASP CA C 56.391 0.092 1 1293 2275 114 ASP CB C 40.487 0.052 1 1294 2275 114 ASP N N 124.549 0.030 1 1295 2276 115 GLN HA H 4.382 0.001 1 1296 2276 115 GLN HB2 H 2.134 0.003 2 1297 2276 115 GLN HB3 H 2.396 0.006 2 1298 2276 115 GLN HE21 H 6.878 0.001 1 1299 2276 115 GLN HE22 H 7.594 0.001 1 1300 2276 115 GLN HG2 H 2.372 0.007 1 1301 2276 115 GLN C C 175.902 0.000 1 1302 2276 115 GLN CA C 56.227 0.009 1 1303 2276 115 GLN CB C 27.522 0.065 1 1304 2276 115 GLN CG C 34.438 0.054 1 1305 2276 115 GLN NE2 N 112.665 0.220 1 1306 2277 116 LYS H H 8.406 0.019 1 1307 2277 116 LYS HA H 4.390 0.010 1 1308 2277 116 LYS HB2 H 1.821 0.000 2 1309 2277 116 LYS HB3 H 1.863 0.001 2 1310 2277 116 LYS HD2 H 1.696 0.009 1 1311 2277 116 LYS HD3 H 1.696 0.009 1 1312 2277 116 LYS HG2 H 1.428 0.000 2 1313 2277 116 LYS HG3 H 1.491 0.003 2 1314 2277 116 LYS C C 176.784 0.000 1 1315 2277 116 LYS CA C 55.915 0.027 1 1316 2277 116 LYS CB C 33.867 0.038 1 1317 22776 116 LYS CD C 29.007 0.013 1 1318 2277 116 LYS CE C 41.784 0.019 1 1319 2277 116 LYS CG C 23.969 0.003 1 1320 2277 116 LYS N N 120.785 0.041 1 1321 2278 117 SER H H 9.066 0.010 1 1322 2278 117 SER HA H 4.730 0.008 1 1323 2278 117 SER HB2 H 3.875 0.008 2 1324 2278 117 SER HB3 H 3.887 0.007 2 1325 2278 117 SER C C 176.048 0.000 1 1326 2278 117 SER CA C 59.349 0.078 1 1327 2278 117 SER CB C 63.791 0.078 1 1328 2278 117 SER N N 116.987 0.058 1 1329 2279 118 THR H H 7.619 0.003 1 1330 2279 118 THR HA H 4.368 0.007 1 1331 2279 118 THR HB H 5.042 0.003 1 1332 2279 118 THR HG2 H 0.935 0.007 1 1333 2279 118 THR C C 172.168 0.000 1 1334 2279 118 THR CA C 60.674 0.043 1 1335 2279 118 THR CB C 67.491 0.081 1 1336 2279 118 THR CG2 C 21.818 0.017 1 1337 2279 118 THR N N 112.116 0.088 1 1338 2280 119 VAL H H 7.003 0.012 1 1339 2280 119 VAL HA H 4.280 0.005 1 1340 2280 119 VAL HB H 1.316 0.007 1 1341 2280 119 VAL HG1 H -0.077 0.005 2 1342 2280 119 VAL HG2 H 0.421 0.007 2 1343 2280 119 VAL C C 175.024 0.000 1 1344 2280 119 VAL CA C 63.024 0.045 1 1345 2280 119 VAL CB C 32.755 0.055 1 1346 2280 119 VAL CG1 C 20.686 0.022 2 1347 2280 119 VAL CG2 C 21.581 0.034 2 1348 2280 119 VAL N N 119.384 0.037 1 1349 2281 120 ILE H H 9.048 0.009 1 1350 2281 120 ILE HA H 4.033 0.005 1 1351 2281 120 ILE HB H 1.596 0.002 1 1352 2281 120 ILE HD1 H 0.862 0.006 1 1353 2281 120 ILE HG12 H 0.909 0.004 2 1354 2281 120 ILE HG13 H 1.248 0.006 2 1355 2281 120 ILE HG2 H 0.845 0.006 1 1356 2281 120 ILE C C 175.316 0.000 1 1357 2281 120 ILE CA C 60.699 0.046 1 1358 2281 120 ILE CB C 42.460 0.022 1 1359 2281 120 ILE CD1 C 14.618 0.046 1 1360 2281 120 ILE CG1 C 27.410 0.025 1 1361 2281 120 ILE CG2 C 18.377 0.020 1 1362 2281 120 ILE N N 127.289 0.037 1 1363 2282 121 SER H H 8.740 0.016 1 1364 2282 121 SER HA H 4.382 0.006 1 1365 2282 121 SER HB2 H 3.848 0.017 2 1366 2282 121 SER HB3 H 3.974 0.027 2 1367 2282 121 SER C C 175.536 0.000 1 1368 2282 121 SER CA C 58.590 0.072 1 1369 2282 121 SER CB C 63.347 0.092 1 1370 2282 121 SER N N 120.705 0.041 1 1371 2283 122 LEU H H 7.622 0.007 1 1372 2283 122 LEU HA H 3.852 0.017 1 1373 2283 122 LEU HB2 H 1.578 0.001 1 1374 2283 122 LEU HD2 H 0.900 0.014 1 1375 2283 122 LEU HG H 1.574 0.001 1 1376 2283 122 LEU C C 177.037 0.000 1 1377 2283 122 LEU CA C 56.585 0.106 1 1378 2283 122 LEU CB C 43.465 0.017 1 1379 2283 122 LEU CD1 C 23.492 0.011 2 1380 2283 122 LEU CD2 C 25.130 0.056 2 1381 2283 122 LEU CG C 27.224 0.016 1 1382 2283 122 LEU N N 124.933 0.047 1 1383 2284 123 LYS H H 7.770 0.003 1 1384 2284 123 LYS HA H 4.030 0.011 1 1385 2284 123 LYS HB2 H 1.741 0.006 2 1386 2284 123 LYS HB3 H 1.818 0.005 2 1387 2284 123 LYS HD2 H 1.726 0.003 1 1388 2284 123 LYS HE2 H 2.991 0.001 1 1389 2284 123 LYS HG2 H 1.419 0.013 2 1390 2284 123 LYS HG3 H 1.519 0.005 2 1391 2284 123 LYS CA C 58.296 0.089 1 1392 2284 123 LYS CB C 32.202 0.069 1 1393 2284 123 LYS CD C 29.072 0.014 1 1394 2284 123 LYS CE C 41.840 0.008 1 1395 2284 123 LYS CG C 25.351 0.003 1 1396 2284 123 LYS N N 117.516 0.043 1 1397 2285 124 LYS HA H 4.398 0.002 1 1398 2285 124 LYS HE2 H 2.968 0.000 1 1399 2285 124 LYS HE3 H 2.968 0.000 1 1400 2285 124 LYS HG2 H 1.305 0.001 2 1401 2285 124 LYS HG3 H 1.392 0.002 2 1402 2285 124 LYS C C 174.438 0.000 1 1403 2285 124 LYS CA C 56.116 0.032 1 1404 2285 124 LYS CG C 25.350 0.000 1 1405 2286 125 LEU H H 7.293 0.003 1 1406 2286 125 LEU HA H 4.590 0.004 1 1407 2286 125 LEU HB2 H 1.539 0.009 2 1408 2286 125 LEU HB3 H 1.739 0.012 2 1409 2286 125 LEU HD1 H 0.603 0.009 2 1410 2286 125 LEU HD2 H 0.709 0.007 2 1411 2286 125 LEU HG H 0.755 0.010 1 1412 2286 125 LEU C C 175.316 0.000 1 1413 2286 125 LEU CA C 54.953 0.052 1 1414 2286 125 LEU CB C 44.235 0.040 1 1415 2286 125 LEU CD1 C 23.208 0.023 2 1416 2286 125 LEU CD2 C 26.804 0.021 2 1417 2286 125 LEU CG C 27.061 0.010 1 1418 2286 125 LEU N N 122.493 0.042 1 1419 2287 126 ILE H H 8.533 0.020 1 1420 2287 126 ILE HA H 4.435 0.006 1 1421 2287 126 ILE HB H 1.892 0.009 1 1422 2287 126 ILE HD1 H 0.860 0.011 1 1423 2287 126 ILE HG12 H 1.206 0.004 2 1424 2287 126 ILE HG13 H 1.554 0.005 2 1425 2287 126 ILE C C 174.145 0.000 1 1426 2287 126 ILE CA C 59.656 0.083 1 1427 2287 126 ILE CB C 40.255 0.073 1 1428 2287 126 ILE CD1 C 12.746 0.106 1 1429 2287 126 ILE CG1 C 27.617 0.072 1 1430 2287 126 ILE CG2 C 17.373 0.045 1 1431 2287 126 ILE N N 125.774 0.025 1 1432 2288 127 VAL H H 8.575 0.011 1 1433 2288 127 VAL HA H 5.469 0.005 1 1434 2288 127 VAL HB H 1.876 0.014 1 1435 2288 127 VAL HG1 H 0.964 0.009 2 1436 2288 127 VAL HG2 H 1.019 0.011 2 1437 2288 127 VAL C C 174.657 0.000 1 1438 2288 127 VAL CA C 58.774 0.054 1 1439 2288 127 VAL CB C 34.577 0.061 1 1440 2288 127 VAL CG1 C 22.814 0.030 2 1441 2288 127 VAL CG2 C 21.059 0.035 2 1442 2288 127 VAL N N 124.663 0.043 1 1443 2289 128 ARG H H 8.638 0.002 1 1444 2289 128 ARG HA H 4.860 0.014 1 1445 2289 128 ARG HB2 H 1.647 0.004 2 1446 2289 128 ARG HB3 H 2.015 0.003 2 1447 2289 128 ARG HD2 H 3.189 0.005 2 1448 2289 128 ARG HD3 H 3.291 0.004 2 1449 2289 128 ARG HG2 H 1.646 0.004 1 1450 2289 128 ARG HG3 H 1.646 0.004 1 1451 2289 128 ARG C C 174.684 0.000 1 1452 2289 128 ARG CA C 53.893 0.062 1 1453 2289 128 ARG CB C 35.353 0.039 1 1454 2289 128 ARG CD C 43.434 0.057 1 1455 2289 128 ARG CG C 26.798 0.064 1 1456 2289 128 ARG N N 123.813 0.021 1 1457 2290 129 GLU H H 9.084 0.005 1 1458 2290 129 GLU HA H 4.047 0.006 1 1459 2290 129 GLU HB2 H 1.876 0.007 1 1460 2290 129 GLU HB3 H 1.876 0.007 1 1461 2290 129 GLU HG2 H 2.095 0.004 2 1462 2290 129 GLU HG3 H 2.134 0.011 2 1463 2290 129 GLU C C 175.682 0.000 1 1464 2290 129 GLU CA C 57.223 0.103 1 1465 2290 129 GLU CB C 30.039 0.049 1 1466 2290 129 GLU CG C 36.139 0.019 1 1467 2290 129 GLU N N 120.807 0.032 1 1468 2291 130 VAL H H 6.962 0.006 1 1469 2291 130 VAL HA H 3.721 0.004 1 1470 2291 130 VAL HB H 1.642 0.006 1 1471 2291 130 VAL HG1 H -0.394 0.009 2 1472 2291 130 VAL HG2 H 0.350 0.010 2 1473 2291 130 VAL C C 176.780 0.000 1 1474 2291 130 VAL CA C 61.803 0.097 1 1475 2291 130 VAL CB C 30.929 0.053 1 1476 2291 130 VAL CG1 C 18.860 0.004 2 1477 2291 130 VAL CG2 C 21.233 0.059 2 1478 2291 130 VAL N N 122.417 0.022 1 1479 2292 131 ALA H H 8.750 0.010 1 1480 2292 131 ALA HA H 3.923 0.003 1 1481 2292 131 ALA HB H 1.351 0.011 1 1482 2292 131 ALA CA C 55.215 0.066 1 1483 2292 131 ALA CB C 18.233 0.034 1 1484 2292 131 ALA N N 132.358 0.040 1 1485 2293 132 HIS H H 8.151 0.000 1 1486 2293 132 HIS HA H 4.543 0.007 1 1487 2293 132 HIS HB2 H 3.043 0.002 2 1488 2293 132 HIS HB3 H 3.386 0.004 2 1489 2293 132 HIS HD2 H 6.952 0.002 1 1490 2293 132 HIS HE1 H 7.842 0.004 1 1491 2293 132 HIS C C 174.291 0.000 1 1492 2293 132 HIS CA C 56.070 0.045 1 1493 2293 132 HIS CB C 29.627 0.069 1 1494 2293 132 HIS CD2 C 101.757 0.074 1 1495 2293 132 HIS CE1 C 150.912 0.027 1 1496 2293 132 HIS N N 118.457 0.007 1 1497 2294 133 GLU H H 7.022 0.018 1 1498 2294 133 GLU HA H 4.621 0.007 1 1499 2294 133 GLU HB2 H 1.474 0.010 1 1500 2294 133 GLU HB3 H 1.474 0.010 1 1501 2294 133 GLU HG2 H 1.652 0.016 2 1502 2294 133 GLU HG3 H 1.786 0.010 2 1503 2294 133 GLU C C 174.846 0.000 1 1504 2294 133 GLU CA C 54.169 0.062 1 1505 2294 133 GLU CB C 30.237 0.074 1 1506 2294 133 GLU CG C 35.058 0.031 1 1507 2294 133 GLU N N 120.796 0.036 1 1508 2295 134 GLU H H 8.609 0.004 1 1509 2295 134 GLU HA H 4.187 0.004 1 1510 2295 134 GLU HB2 H 1.990 0.003 1 1511 2295 134 GLU HB3 H 1.990 0.003 1 1512 2295 134 GLU HG2 H 2.152 0.004 2 1513 2295 134 GLU HG3 H 2.347 0.007 2 1514 2295 134 GLU C C 174.583 0.000 1 1515 2295 134 GLU CA C 58.348 0.078 1 1516 2295 134 GLU CB C 29.565 0.129 1 1517 2295 134 GLU CG C 36.277 0.044 1 1518 2295 134 GLU N N 125.488 0.032 1 1519 2296 135 LYS H H 8.117 0.003 1 1520 2296 135 LYS HA H 4.034 0.007 1 1521 2296 135 LYS HB2 H 1.422 0.017 2 1522 2296 135 LYS HB3 H 2.141 0.011 2 1523 2296 135 LYS HD2 H 1.597 0.006 2 1524 2296 135 LYS HD3 H 1.675 0.008 2 1525 2296 135 LYS HE2 H 2.961 0.005 1 1526 2296 135 LYS HE3 H 2.960 0.004 1 1527 2296 135 LYS HG2 H 0.762 0.007 2 1528 2296 135 LYS HG3 H 1.343 0.006 2 1529 2296 135 LYS C C 176.988 0.000 1 1530 2296 135 LYS CA C 56.136 0.092 1 1531 2296 135 LYS CB C 31.544 0.064 1 1532 2296 135 LYS CD C 28.935 0.049 1 1533 2296 135 LYS CE C 41.592 0.000 1 1534 2296 135 LYS CG C 26.449 0.014 1 1535 2296 135 LYS N N 111.317 0.049 1 1536 2297 136 GLY H H 7.827 0.007 1 1537 2297 136 GLY HA2 H 2.488 0.006 2 1538 2297 136 GLY HA3 H 5.077 0.012 2 1539 2297 136 GLY C C 173.199 0.000 1 1540 2297 136 GLY CA C 44.722 0.070 1 1541 2297 136 GLY N N 105.245 0.032 1 1542 2298 137 LEU H H 9.869 0.004 1 1543 2298 137 LEU HA H 4.879 0.013 1 1544 2298 137 LEU HB2 H 1.395 0.010 2 1545 2298 137 LEU HB3 H 1.649 0.011 2 1546 2298 137 LEU HD1 H 0.641 0.003 2 1547 2298 137 LEU HD2 H 0.802 0.008 2 1548 2298 137 LEU HG H 1.874 0.010 1 1549 2298 137 LEU C C 173.008 0.000 1 1550 2298 137 LEU CA C 54.656 0.069 1 1551 2298 137 LEU CB C 45.626 0.060 1 1552 2298 137 LEU CD1 C 26.916 0.025 2 1553 2298 137 LEU CD2 C 27.669 0.007 2 1554 2298 137 LEU CG C 25.552 0.016 1 1555 2298 137 LEU N N 124.086 0.049 1 1556 2299 138 PHE H H 9.566 0.006 1 1557 2299 138 PHE HA H 5.671 0.013 1 1558 2299 138 PHE HB2 H 2.656 0.006 2 1559 2299 138 PHE HB3 H 2.846 0.004 2 1560 2299 138 PHE HD1 H 6.965 0.004 3 1561 2299 138 PHE HD2 H 6.965 0.004 3 1562 2299 138 PHE HE1 H 7.454 0.004 3 1563 2299 138 PHE HE2 H 7.454 0.004 3 1564 2299 138 PHE HZ H 7.327 0.012 1 1565 2299 138 PHE C C 175.023 0.000 1 1566 2299 138 PHE CA C 55.495 0.050 1 1567 2299 138 PHE CB C 43.112 0.059 1 1568 2299 138 PHE CD1 C 131.340 0.115 3 1569 2299 138 PHE CD2 C 131.340 0.115 3 1570 2299 138 PHE CE1 C 133.920 0.059 3 1571 2299 138 PHE CE2 C 133.920 0.059 3 1572 2299 138 PHE CZ C 129.827 0.098 1 1573 2299 138 PHE N N 118.748 0.056 1 1574 2300 139 LEU H H 9.001 0.009 1 1575 2300 139 LEU HA H 5.095 0.005 1 1576 2300 139 LEU HB2 H 1.360 0.007 2 1577 2300 139 LEU HB3 H 1.985 0.014 2 1578 2300 139 LEU HD1 H 0.882 0.005 2 1579 2300 139 LEU HD2 H 0.882 0.005 2 1580 2300 139 LEU HG H 2.016 0.005 1 1581 2300 139 LEU C C 176.233 0.000 1 1582 2300 139 LEU CA C 52.981 0.060 1 1583 2300 139 LEU CB C 42.438 0.046 1 1584 2300 139 LEU CD1 C 27.842 0.008 2 1585 2300 139 LEU CD2 C 24.543 0.021 2 1586 2300 139 LEU CG C 27.835 0.031 1 1587 2300 139 LEU N N 120.034 0.063 1 1588 2301 140 ILE H H 9.331 0.012 1 1589 2301 140 ILE HA H 4.735 0.007 1 1590 2301 140 ILE HB H 1.815 0.005 1 1591 2301 140 ILE HD1 H 0.717 0.006 1 1592 2301 140 ILE HG12 H 0.787 0.010 2 1593 2301 140 ILE HG13 H 1.389 0.004 2 1594 2301 140 ILE HG2 H 0.744 0.006 1 1595 2301 140 ILE C C 175.169 0.000 1 1596 2301 140 ILE CA C 61.031 0.036 1 1597 2301 140 ILE CB C 39.867 0.029 1 1598 2301 140 ILE CD1 C 14.450 0.063 1 1599 2301 140 ILE CG1 C 27.967 0.037 1 1600 2301 140 ILE CG2 C 18.227 0.021 1 1601 2301 140 ILE N N 124.650 0.020 1 1602 2302 141 SER H H 8.804 0.003 1 1603 2302 141 SER HA H 4.804 0.016 1 1604 2302 141 SER HB2 H 3.852 0.014 2 1605 2302 141 SER HB3 H 3.871 0.007 2 1606 2302 141 SER C C 174.070 0.000 1 1607 2302 141 SER CA C 58.059 0.055 1 1608 2302 141 SER CB C 64.196 0.027 1 1609 2302 141 SER N N 123.904 0.042 1 1610 2303 142 MET H H 8.420 0.003 1 1611 2303 142 MET HA H 4.598 0.005 1 1612 2303 142 MET HB2 H 2.497 0.004 2 1613 2303 142 MET HB3 H 2.654 0.007 2 1614 2303 142 MET HE H 2.021 0.008 1 1615 2303 142 MET HG2 H 2.050 0.016 2 1616 2303 142 MET HG3 H 2.160 0.008 2 1617 2303 142 MET C C 176.780 0.000 1 1618 2303 142 MET CA C 54.736 0.089 1 1619 2303 142 MET CB C 32.233 0.052 1 1620 2303 142 MET CE C 16.741 0.042 1 1621 2303 142 MET CG C 32.112 0.000 1 1622 2303 142 MET N N 122.927 0.054 1 1623 2304 143 GLY H H 8.513 0.014 1 1624 2304 143 GLY HA2 H 3.927 0.004 2 1625 2304 143 GLY HA3 H 3.988 0.004 2 1626 2304 143 GLY CA C 45.539 0.074 1 1627 2304 143 GLY N N 109.233 0.049 1 1628 2305 144 MET HA H 4.500 0.002 1 1629 2305 144 MET HB2 H 2.031 0.004 2 1630 2305 144 MET HB3 H 2.158 0.006 2 1631 2305 144 MET HE H 2.108 0.001 1 1632 2305 144 MET HG2 H 2.508 0.006 2 1633 2305 144 MET HG3 H 2.574 0.005 2 1634 2305 144 MET CA C 55.961 0.017 1 1635 2305 144 MET CB C 33.197 0.082 1 1636 2305 144 MET CE C 17.040 0.009 1 1637 2305 144 MET CG C 32.162 0.040 1 1638 2306 145 THR HA H 4.206 0.006 1 1639 2306 145 THR HB H 4.200 0.002 1 1640 2306 145 THR HG2 H 1.184 0.004 1 1641 2306 145 THR C C 173.852 0.000 1 1642 2306 145 THR CA C 62.832 0.042 1 1643 2306 145 THR CB C 69.508 0.059 1 1644 2306 145 THR CG2 C 21.810 0.000 1 1645 2307 146 ASP H H 8.175 0.002 1 1646 2307 146 ASP HA H 4.940 0.003 1 1647 2307 146 ASP HB2 H 2.483 0.004 2 1648 2307 146 ASP HB3 H 2.651 0.004 2 1649 2307 146 ASP CA C 52.435 0.050 1 1650 2307 146 ASP CB C 41.091 0.028 1 1651 2307 146 ASP N N 120.734 0.059 1 1652 2308 147 PRO HA H 4.573 0.007 1 1653 2308 147 PRO HB2 H 1.675 0.010 2 1654 2308 147 PRO HB3 H 2.181 0.011 2 1655 2308 147 PRO HD2 H 3.653 0.006 2 1656 2308 147 PRO HD3 H 3.765 0.007 2 1657 2308 147 PRO HG2 H 1.972 0.005 1 1658 2308 147 PRO CA C 63.285 0.025 1 1659 2308 147 PRO CB C 32.727 0.030 1 1660 2308 147 PRO CD C 50.613 0.026 1 1661 2308 147 PRO CG C 27.368 0.046 1 1662 2309 148 GLU H H 8.210 0.004 1 1663 2309 148 GLU HA H 4.373 0.009 1 1664 2309 148 GLU HB2 H 2.099 0.000 2 1665 2309 148 GLU HB3 H 2.546 0.000 2 1666 2309 148 GLU HG2 H 2.420 0.011 1 1667 2309 148 GLU HG3 H 2.420 0.011 1 1668 2309 148 GLU CA C 59.530 0.014 1 1669 2309 148 GLU CB C 27.795 0.096 1 1670 2309 148 GLU CG C 32.037 0.026 1 1671 2309 148 GLU N N 122.067 0.040 1 1672 2310 149 MET HA H 5.400 0.006 1 1673 2310 149 MET HB2 H 2.138 0.007 2 1674 2310 149 MET HB3 H 2.218 0.005 2 1675 2310 149 MET HE H 1.499 0.002 1 1676 2310 149 MET HG2 H 1.798 0.007 1 1677 2310 149 MET HG3 H 1.798 0.007 1 1678 2310 149 MET C C 174.584 0.000 1 1679 2310 149 MET CA C 54.367 0.066 1 1680 2310 149 MET CB C 31.732 0.041 1 1681 2310 149 MET CE C 16.464 0.025 1 1682 2310 149 MET CG C 35.913 0.042 1 1683 2311 150 VAL H H 8.895 0.005 1 1684 2311 150 VAL HA H 4.256 0.004 1 1685 2311 150 VAL HB H 1.922 0.012 1 1686 2311 150 VAL HG1 H 0.626 0.007 2 1687 2311 150 VAL HG2 H 0.897 0.010 2 1688 2311 150 VAL C C 173.381 0.000 1 1689 2311 150 VAL CA C 61.541 0.055 1 1690 2311 150 VAL CB C 35.151 0.024 1 1691 2311 150 VAL CG1 C 21.516 0.047 2 1692 2311 150 VAL CG2 C 21.784 0.035 2 1693 2311 150 VAL N N 124.462 0.046 1 1694 2312 151 GLU H H 9.239 0.005 1 1695 2312 151 GLU HA H 4.591 0.006 1 1696 2312 151 GLU HB2 H 2.580 0.001 2 1697 2312 151 GLU HB3 H 2.628 0.000 2 1698 2312 151 GLU HG2 H 2.053 0.018 2 1699 2312 151 GLU HG3 H 2.134 0.002 2 1700 2312 151 GLU C C 173.486 0.000 1 1701 2312 151 GLU CA C 55.673 0.052 1 1702 2312 151 GLU CB C 31.936 0.049 1 1703 2312 151 GLU CG C 32.986 0.004 1 1704 2312 151 GLU N N 131.027 0.023 1 1705 2313 152 VAL H H 8.945 0.013 1 1706 2313 152 VAL HA H 4.752 0.011 1 1707 2313 152 VAL HB H 1.762 0.013 1 1708 2313 152 VAL HG1 H 0.575 0.006 2 1709 2313 152 VAL HG2 H 0.630 0.009 2 1710 2313 152 VAL C C 175.243 0.000 1 1711 2313 152 VAL CA C 59.818 0.003 1 1712 2313 152 VAL CB C 34.302 0.095 1 1713 2313 152 VAL CG1 C 20.617 0.119 2 1714 2313 152 VAL CG2 C 22.028 0.048 2 1715 2313 152 VAL N N 127.194 0.024 1 1716 2314 153 HIS H H 9.909 0.016 1 1717 2314 153 HIS HA H 5.615 0.006 1 1718 2314 153 HIS HB2 H 2.915 0.012 1 1719 2314 153 HIS HB3 H 2.915 0.012 1 1720 2314 153 HIS HD2 H 6.578 0.011 1 1721 2314 153 HIS HE1 H 7.444 0.004 1 1722 2314 153 HIS C C 174.656 0.000 1 1723 2314 153 HIS CA C 54.063 0.041 1 1724 2314 153 HIS CB C 34.577 0.055 1 1725 2314 153 HIS CD2 C 89.403 0.072 1 1726 2314 153 HIS CE1 C 144.846 0.036 1 1727 2314 153 HIS N N 126.039 0.026 1 1728 2315 154 ALA H H 9.027 0.009 1 1729 2315 154 ALA HA H 5.116 0.011 1 1730 2315 154 ALA HB H 1.670 0.003 1 1731 2315 154 ALA C C 176.927 0.000 1 1732 2315 154 ALA CA C 49.310 0.079 1 1733 2315 154 ALA CB C 20.609 0.053 1 1734 2315 154 ALA N N 124.394 0.075 1 1735 2316 155 SER H H 8.991 0.005 1 1736 2316 155 SER HA H 4.438 0.004 1 1737 2316 155 SER HB2 H 4.091 0.006 2 1738 2316 155 SER HB3 H 4.132 0.009 2 1739 2316 155 SER C C 174.071 0.000 1 1740 2316 155 SER CA C 60.743 0.051 1 1741 2316 155 SER CB C 63.951 0.124 1 1742 2316 155 SER N N 112.258 0.032 1 1743 2317 156 SER H H 7.635 0.003 1 1744 2317 156 SER HA H 4.638 0.004 1 1745 2317 156 SER HB2 H 4.112 0.007 2 1746 2317 156 SER HB3 H 4.243 0.007 2 1747 2317 156 SER C C 173.828 0.000 1 1748 2317 156 SER CA C 56.570 0.093 1 1749 2317 156 SER CB C 66.530 0.072 1 1750 2317 156 SER N N 111.284 0.033 1 1751 2318 157 LYS H H 9.420 0.005 1 1752 2318 157 LYS HA H 4.381 0.002 1 1753 2318 157 LYS HB2 H 1.676 0.020 1 1754 2318 157 LYS HD2 H 1.712 0.004 1 1755 2318 157 LYS HE2 H 2.985 0.013 1 1756 2318 157 LYS HG2 H 1.430 0.001 1 1757 2318 157 LYS C C 177.879 0.000 1 1758 2318 157 LYS CA C 58.924 0.080 1 1759 2318 157 LYS CB C 32.680 0.059 1 1760 2318 157 LYS CD C 29.331 0.028 1 1761 2318 157 LYS CE C 41.775 0.012 1 1762 2318 157 LYS CG C 24.108 0.064 1 1763 2318 157 LYS N N 124.801 0.031 1 1764 2319 158 GLU H H 8.878 0.005 1 1765 2319 158 GLU HA H 4.003 0.007 1 1766 2319 158 GLU HB2 H 1.944 0.007 2 1767 2319 158 GLU HB3 H 2.121 0.007 2 1768 2319 158 GLU HG2 H 2.265 0.005 2 1769 2319 158 GLU HG3 H 2.461 0.004 2 1770 2319 158 GLU C C 179.929 0.000 1 1771 2319 158 GLU CA C 60.659 0.044 1 1772 2319 158 GLU CB C 28.522 0.123 1 1773 2319 158 GLU CG C 37.165 0.026 1 1774 2319 158 GLU N N 119.337 0.052 1 1775 2320 159 GLU H H 8.234 0.004 1 1776 2320 159 GLU HA H 4.188 0.005 1 1777 2320 159 GLU HB2 H 2.146 0.005 2 1778 2320 159 GLU HB3 H 2.279 0.005 2 1779 2320 159 GLU HG2 H 2.433 0.008 2 1780 2320 159 GLU HG3 H 2.455 0.008 2 1781 2320 159 GLU C C 178.684 0.000 1 1782 2320 159 GLU CA C 58.842 0.083 1 1783 2320 159 GLU CB C 30.623 0.019 1 1784 2320 159 GLU CG C 37.394 0.036 1 1785 2320 159 GLU N N 121.324 0.034 1 1786 2321 160 ARG H H 8.487 0.003 1 1787 2321 160 ARG HA H 3.793 0.006 1 1788 2321 160 ARG C C 179.343 0.000 1 1789 2321 160 ARG CA C 60.780 0.043 1 1790 2321 160 ARG N N 123.570 0.029 1 1791 2322 161 ASN H H 8.914 0.007 1 1792 2322 161 ASN HA H 4.374 0.008 1 1793 2322 161 ASN HB2 H 2.921 0.007 2 1794 2322 161 ASN HB3 H 3.059 0.006 2 1795 2322 161 ASN HD21 H 7.113 0.006 1 1796 2322 161 ASN HD22 H 7.918 0.006 1 1797 2322 161 ASN C C 177.879 0.000 1 1798 2322 161 ASN CA C 55.636 0.057 1 1799 2322 161 ASN CB C 36.626 0.092 1 1800 2322 161 ASN N N 119.245 0.031 1 1801 2322 161 ASN ND2 N 111.714 0.000 1 1802 2323 162 SER H H 8.286 0.003 1 1803 2323 162 SER HA H 4.224 0.005 1 1804 2323 162 SER HB2 H 3.919 0.003 1 1805 2323 162 SER HB3 H 3.919 0.003 1 1806 2323 162 SER C C 177.366 0.000 1 1807 2323 162 SER CA C 61.507 0.078 1 1808 2323 162 SER CB C 62.478 0.047 1 1809 2323 162 SER N N 117.598 0.032 1 1810 2324 163 TRP H H 8.341 0.017 1 1811 2324 163 TRP HA H 4.474 0.013 1 1812 2324 163 TRP HB2 H 3.016 0.012 2 1813 2324 163 TRP HB3 H 3.322 0.007 2 1814 2324 163 TRP HD1 H 6.964 0.005 1 1815 2324 163 TRP HE1 H 10.661 0.003 1 1816 2324 163 TRP HE3 H 6.964 0.002 1 1817 2324 163 TRP HH2 H 6.962 0.001 1 1818 2324 163 TRP HZ2 H 6.701 0.010 1 1819 2324 163 TRP HZ3 H 6.965 0.004 1 1820 2324 163 TRP C C 178.684 0.000 1 1821 2324 163 TRP CA C 61.232 0.050 1 1822 2324 163 TRP CB C 29.444 0.031 1 1823 2324 163 TRP CD1 C 118.107 0.090 1 1824 2324 163 TRP CE3 C 118.066 0.063 1 1825 2324 163 TRP CH2 C 133.480 0.000 1 1826 2324 163 TRP CZ2 C 113.185 0.062 1 1827 2324 163 TRP CZ3 C 118.107 0.090 1 1828 2324 163 TRP N N 122.622 0.025 1 1829 2324 163 TRP NE1 N 129.700 0.045 1 1830 2325 164 ILE H H 8.321 0.014 1 1831 2325 164 ILE HA H 3.534 0.005 1 1832 2325 164 ILE HB H 1.976 0.004 1 1833 2325 164 ILE HD1 H 0.866 0.005 1 1834 2325 164 ILE HG12 H 0.822 0.013 2 1835 2325 164 ILE HG13 H 1.972 0.002 2 1836 2325 164 ILE HG2 H 0.908 0.005 1 1837 2325 164 ILE C C 177.073 0.000 1 1838 2325 164 ILE CA C 67.515 0.038 1 1839 2325 164 ILE CB C 37.600 0.032 1 1840 2325 164 ILE CD1 C 14.067 0.068 1 1841 2325 164 ILE CG1 C 30.376 0.027 1 1842 2325 164 ILE CG2 C 16.277 0.050 1 1843 2325 164 ILE N N 118.213 0.046 1 1844 2326 165 GLN H H 7.926 0.003 1 1845 2326 165 GLN HA H 4.005 0.005 1 1846 2326 165 GLN HB2 H 2.174 0.012 2 1847 2326 165 GLN HB3 H 2.256 0.010 2 1848 2326 165 GLN HE21 H 7.100 0.002 1 1849 2326 165 GLN HE22 H 7.185 0.002 1 1850 2326 165 GLN HG2 H 2.397 0.010 2 1851 2326 165 GLN HG3 H 2.410 0.007 2 1852 2326 165 GLN C C 178.318 0.000 1 1853 2326 165 GLN CA C 59.184 0.046 1 1854 2326 165 GLN CB C 28.717 0.071 1 1855 2326 165 GLN CG C 34.443 0.032 1 1856 2326 165 GLN N N 116.318 0.033 1 1857 2326 165 GLN NE2 N 113.525 0.035 1 1858 2327 166 ILE H H 8.122 0.004 1 1859 2327 166 ILE HA H 4.380 0.006 1 1860 2327 166 ILE HB H 1.755 0.006 1 1861 2327 166 ILE HD1 H 0.786 0.006 1 1862 2327 166 ILE HG12 H 1.016 0.013 2 1863 2327 166 ILE HG13 H 1.224 0.004 2 1864 2327 166 ILE HG2 H 0.909 0.005 1 1865 2327 166 ILE C C 178.981 0.000 1 1866 2327 166 ILE CA C 61.393 0.047 1 1867 2327 166 ILE CB C 37.557 0.044 1 1868 2327 166 ILE CD1 C 13.902 0.052 1 1869 2327 166 ILE CG1 C 30.364 0.026 1 1870 2327 166 ILE CG2 C 19.718 0.029 1 1871 2327 166 ILE N N 117.385 0.031 1 1872 2328 167 ILE H H 8.732 0.016 1 1873 2328 167 ILE HA H 3.686 0.006 1 1874 2328 167 ILE HB H 1.987 0.002 1 1875 2328 167 ILE HD1 H 0.888 0.006 1 1876 2328 167 ILE HG2 H 0.851 0.012 1 1877 2328 167 ILE C C 177.439 0.000 1 1878 2328 167 ILE CA C 67.443 0.048 1 1879 2328 167 ILE CB C 37.849 0.050 1 1880 2328 167 ILE CD1 C 13.971 0.031 1 1881 2328 167 ILE CG1 C 30.326 0.004 1 1882 2328 167 ILE CG2 C 17.901 0.028 1 1883 2328 167 ILE N N 127.606 0.039 1 1884 2329 168 GLN H H 8.855 0.023 1 1885 2329 168 GLN HA H 3.990 0.007 1 1886 2329 168 GLN HB2 H 2.135 0.005 1 1887 2329 168 GLN HE21 H 6.777 0.001 1 1888 2329 168 GLN HE22 H 7.755 0.002 1 1889 2329 168 GLN HG2 H 2.340 0.007 2 1890 2329 168 GLN HG3 H 2.416 0.004 2 1891 2329 168 GLN C C 178.611 0.000 1 1892 2329 168 GLN CA C 59.019 0.025 1 1893 2329 168 GLN CB C 28.541 0.087 1 1894 2329 168 GLN CG C 33.476 0.037 1 1895 2329 168 GLN N N 119.313 0.045 1 1896 2329 168 GLN NE2 N 113.599 0.226 1 1897 2330 169 ASP H H 8.839 0.013 1 1898 2330 169 ASP HA H 4.464 0.007 1 1899 2330 169 ASP HB2 H 2.703 0.005 2 1900 2330 169 ASP HB3 H 2.817 0.003 2 1901 2330 169 ASP C C 178.831 0.000 1 1902 2330 169 ASP CA C 57.750 0.045 1 1903 2330 169 ASP CB C 41.004 0.028 1 1904 2330 169 ASP N N 119.335 0.058 1 1905 2331 170 THR H H 7.981 0.005 1 1906 2331 170 THR HA H 3.893 0.006 1 1907 2331 170 THR HB H 4.351 0.006 1 1908 2331 170 THR HG2 H 1.299 0.009 1 1909 2331 170 THR C C 177.293 0.000 1 1910 2331 170 THR CA C 67.718 0.050 1 1911 2331 170 THR CB C 68.214 0.019 1 1912 2331 170 THR CG2 C 23.148 0.058 1 1913 2331 170 THR N N 118.660 0.030 1 1914 2332 171 ILE H H 8.803 0.007 1 1915 2332 171 ILE HA H 3.460 0.004 1 1916 2332 171 ILE HB H 2.034 0.007 1 1917 2332 171 ILE HD1 H 0.824 0.007 1 1918 2332 171 ILE HG12 H 1.321 0.015 2 1919 2332 171 ILE HG13 H 1.850 0.007 2 1920 2332 171 ILE HG2 H 1.042 0.006 1 1921 2332 171 ILE C C 178.318 0.000 1 1922 2332 171 ILE CA C 66.501 0.061 1 1923 2332 171 ILE CB C 39.156 0.062 1 1924 2332 171 ILE CD1 C 15.394 0.014 1 1925 2332 171 ILE CG1 C 29.206 0.021 1 1926 2332 171 ILE CG2 C 17.128 0.019 1 1927 2332 171 ILE N N 125.380 0.027 1 1928 2333 172 ASN H H 8.613 0.003 1 1929 2333 172 ASN HA H 4.484 0.007 1 1930 2333 172 ASN HB2 H 2.909 0.004 2 1931 2333 172 ASN HB3 H 3.111 0.007 2 1932 2333 172 ASN HD21 H 7.047 0.002 1 1933 2333 172 ASN HD22 H 7.931 0.005 1 1934 2333 172 ASN C C 178.506 0.000 1 1935 2333 172 ASN CA C 55.693 0.090 1 1936 2333 172 ASN CB C 37.308 0.091 1 1937 2333 172 ASN N N 118.155 0.032 1 1938 2333 172 ASN ND2 N 111.611 0.036 1 1939 2334 173 THR H H 8.106 0.003 1 1940 2334 173 THR HA H 3.994 0.011 1 1941 2334 173 THR HB H 4.240 0.003 1 1942 2334 173 THR HG2 H 1.296 0.004 1 1943 2334 173 THR C C 175.462 0.000 1 1944 2334 173 THR CA C 65.814 0.052 1 1945 2334 173 THR CB C 69.073 0.064 1 1946 2334 173 THR CG2 C 22.100 0.014 1 1947 2334 173 THR N N 116.614 0.019 1 1948 2335 174 LEU H H 7.739 0.019 1 1949 2335 174 LEU HA H 4.228 0.005 1 1950 2335 174 LEU HB2 H 1.861 0.015 2 1951 2335 174 LEU HB3 H 1.900 0.018 2 1952 2335 174 LEU HD1 H 1.010 0.012 1 1953 2335 174 LEU HD2 H 1.012 0.008 1 1954 2335 174 LEU HG H 0.956 0.009 1 1955 2335 174 LEU C C 178.386 0.000 1 1956 2335 174 LEU CA C 57.203 0.070 1 1957 2335 174 LEU CB C 42.210 0.027 1 1958 2335 174 LEU CD1 C 24.263 0.010 1 1959 2335 174 LEU CD2 C 24.264 0.010 1 1960 2335 174 LEU CG C 26.441 0.030 1 1961 2335 174 LEU N N 123.553 0.036 1 1962 2336 175 ASN H H 8.084 0.004 1 1963 2336 175 ASN HA H 4.642 0.004 1 1964 2336 175 ASN HB2 H 2.835 0.006 2 1965 2336 175 ASN HB3 H 2.923 0.003 2 1966 2336 175 ASN HD21 H 7.132 0.000 1 1967 2336 175 ASN HD22 H 7.618 0.007 1 1968 2336 175 ASN C C 175.975 0.000 1 1969 2336 175 ASN CA C 54.155 0.052 1 1970 2336 175 ASN CB C 38.946 0.100 1 1971 2336 175 ASN N N 116.313 0.076 1 1972 2336 175 ASN ND2 N 112.942 0.000 1 1973 2337 176 ARG H H 7.792 0.006 1 1974 2337 176 ARG HA H 4.267 0.004 1 1975 2337 176 ARG HB2 H 1.929 0.014 2 1976 2337 176 ARG HB3 H 1.950 0.011 2 1977 2337 176 ARG HD2 H 3.244 0.003 1 1978 2337 176 ARG HG2 H 1.680 0.005 2 1979 2337 176 ARG HG3 H 1.775 0.007 2 1980 2337 176 ARG C C 176.780 0.000 1 1981 2337 176 ARG CA C 57.434 0.055 1 1982 2337 176 ARG CB C 30.563 0.049 1 1983 2337 176 ARG CD C 43.432 0.027 1 1984 2337 176 ARG CG C 27.054 0.022 1 1985 2337 176 ARG N N 120.780 0.024 1 1986 2338 177 ASP H H 8.308 0.002 1 1987 2338 177 ASP HA H 4.594 0.004 1 1988 2338 177 ASP HB2 H 2.679 0.011 2 1989 2338 177 ASP HB3 H 2.762 0.005 2 1990 2338 177 ASP C C 176.853 0.000 1 1991 2338 177 ASP CA C 55.241 0.008 1 1992 2338 177 ASP CB C 41.008 0.025 1 1993 2338 177 ASP N N 120.689 0.035 1 1994 2339 178 GLU H H 8.219 0.001 1 1995 2339 178 GLU HA H 4.263 0.003 1 1996 2339 178 GLU HB2 H 1.979 0.005 2 1997 2339 178 GLU HB3 H 2.095 0.004 2 1998 2339 178 GLU HG2 H 2.282 0.031 1 1999 2339 178 GLU C C 176.122 0.000 1 2000 2339 178 GLU CA C 56.872 0.086 1 2001 2339 178 GLU CB C 30.269 0.069 1 2002 2339 178 GLU CG C 36.377 0.020 1 2003 2339 178 GLU N N 120.518 0.029 1 2004 2340 179 ASP H H 8.283 0.002 1 2005 2340 179 ASP HA H 4.600 0.006 1 2006 2340 179 ASP HB2 H 2.687 0.019 2 2007 2340 179 ASP HB3 H 2.731 0.023 2 2008 2340 179 ASP C C 176.634 0.000 1 2009 2340 179 ASP CA C 54.761 0.021 1 2010 2340 179 ASP CB C 41.347 0.008 1 2011 2340 179 ASP N N 121.245 0.023 1 2012 2341 180 GLU H H 8.363 0.001 1 2013 2341 180 GLU HA H 4.146 0.000 1 2014 2341 180 GLU HB2 H 1.906 0.001 2 2015 2341 180 GLU HB3 H 2.112 0.002 2 2016 2341 180 GLU HG2 H 2.288 0.024 1 2017 2341 180 GLU C C 177.077 0.003 1 2018 2341 180 GLU CA C 57.089 0.111 1 2019 2341 180 GLU CB C 30.491 0.057 1 2020 2341 180 GLU CG C 34.221 0.025 1 2021 2341 180 GLU N N 121.380 0.010 1 2022 2342 181 GLY H H 8.475 0.000 1 2023 2342 181 GLY HA2 H 3.928 0.001 1 2024 2342 181 GLY HA3 H 3.928 0.001 1 2025 2342 181 GLY C C 173.852 0.000 1 2026 2342 181 GLY CA C 45.340 0.057 1 2027 2342 181 GLY N N 109.883 0.002 1 2028 2343 182 ILE H H 7.638 0.001 1 2029 2343 182 ILE HA H 4.466 0.003 1 2030 2343 182 ILE HB H 1.790 0.005 1 2031 2343 182 ILE HD1 H 0.855 0.009 1 2032 2343 182 ILE HG12 H 1.165 0.003 2 2033 2343 182 ILE HG13 H 1.496 0.004 2 2034 2343 182 ILE HG2 H 0.873 0.003 1 2035 2343 182 ILE CA C 57.804 0.073 1 2036 2343 182 ILE CB C 38.633 0.074 1 2037 2343 182 ILE CD1 C 12.736 0.041 1 2038 2343 182 ILE CG1 C 26.952 0.030 1 2039 2343 182 ILE CG2 C 17.066 0.022 1 2040 2343 182 ILE N N 119.365 0.015 1 2041 2344 183 PRO HA H 4.470 0.003 1 2042 2344 183 PRO C C 176.929 0.000 1 2043 2344 183 PRO CA C 63.228 0.011 1 2044 2344 183 PRO CB C 32.225 0.017 1 2045 2344 183 PRO CD C 51.083 0.011 1 2046 2344 183 PRO CG C 27.374 0.019 1 2047 2345 184 SER H H 8.489 0.002 1 2048 2345 184 SER HA H 4.418 0.016 1 2049 2345 184 SER HB2 H 3.865 0.000 2 2050 2345 184 SER HB3 H 3.891 0.002 2 2051 2345 184 SER CA C 58.170 0.085 1 2052 2345 184 SER CB C 64.154 0.006 1 2053 2345 184 SER N N 117.154 0.025 1 2054 2346 185 GLU H H 8.020 0.001 1 2055 2346 185 GLU HA H 4.103 0.013 1 2056 2346 185 GLU HB2 H 1.886 0.002 2 2057 2346 185 GLU HB3 H 2.056 0.003 2 2058 2346 185 GLU HG2 H 2.179 0.004 1 2059 2346 185 GLU HG3 H 2.179 0.004 1 2060 2346 185 GLU CA C 57.961 0.055 1 2061 2346 185 GLU CB C 31.210 0.042 1 2062 2346 185 GLU CG C 36.636 0.057 1 2063 2346 185 GLU N N 127.494 0.028 1 stop_ save_