data_5736 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence specific resonance assignments of ICln, an ion channel cloned from epithelial cells ; _BMRB_accession_number 5736 _BMRB_flat_file_name bmr5736.str _Entry_type original _Submission_date 2003-03-14 _Accession_date 2003-03-14 _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 Schedlbauer Andreas . . 2 Kontaxis Georg . . 3 Konig Matthias . . 4 Furst Johannes . . 5 Botta Guido . . 6 Paulmichl Markus . . 7 Konrat Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 175 "13C chemical shifts" 553 "15N chemical shifts" 171 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-11-30 update author 'update sequence and chemical shifts' 2003-10-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Sequence-specific Resonance Assignments of ICln, an ion channel cloned from epithelial Cells ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22874490 _PubMed_ID 14512740 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schedlbauer Andreas . . 2 Kontaxis Georg . . 3 Konig Matthias . . 4 Furst Johannes . . 5 Jakab Martin . . 6 Ritter Markus . . 7 Garavaglia Lisa . . 8 Botta Guido . . 9 Meyer Giuliano . . 10 Paulmichl Markus . . 11 Konrat Robert . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 27 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 399 _Page_last 400 _Year 2003 _Details . loop_ _Keyword 'swelling dependent ion channel' 'chloride channel' 'NMR assignments' 'protein structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_ICln _Saveframe_category molecular_system _Mol_system_name ICln _Abbreviation_common ICln _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ICln monomer' $ICln stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'swelling dependent in channel' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ICln _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ICln _Abbreviation_common ICln _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 244 _Mol_residue_sequence ; MHHHHHHLEMSFLKSFPPPG SAEGLRQQQPETEAVLNGKG LGTGTLYIAESRLSWLDGSG LGFSLEYPTISLHAVSRDLN AYPREHLYVMVNAKFGEESK ESVAEEEDSDDDVEPIAEFR FVPSDKSALEAMFTAMCECQ ALHPDPEDEDSDDYDGEEYD VEAHEQGQGDIPTFYTYEEG LSHLTAEGQATLERLEGMLS QSVSSQYNMAGVRTEDSTRD YEDGMEVDTTPTVAGQFEDA DVDH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 LEU 9 GLU 10 MET 11 SER 12 PHE 13 LEU 14 LYS 15 SER 16 PHE 17 PRO 18 PRO 19 PRO 20 GLY 21 SER 22 ALA 23 GLU 24 GLY 25 LEU 26 ARG 27 GLN 28 GLN 29 GLN 30 PRO 31 GLU 32 THR 33 GLU 34 ALA 35 VAL 36 LEU 37 ASN 38 GLY 39 LYS 40 GLY 41 LEU 42 GLY 43 THR 44 GLY 45 THR 46 LEU 47 TYR 48 ILE 49 ALA 50 GLU 51 SER 52 ARG 53 LEU 54 SER 55 TRP 56 LEU 57 ASP 58 GLY 59 SER 60 GLY 61 LEU 62 GLY 63 PHE 64 SER 65 LEU 66 GLU 67 TYR 68 PRO 69 THR 70 ILE 71 SER 72 LEU 73 HIS 74 ALA 75 VAL 76 SER 77 ARG 78 ASP 79 LEU 80 ASN 81 ALA 82 TYR 83 PRO 84 ARG 85 GLU 86 HIS 87 LEU 88 TYR 89 VAL 90 MET 91 VAL 92 ASN 93 ALA 94 LYS 95 PHE 96 GLY 97 GLU 98 GLU 99 SER 100 LYS 101 GLU 102 SER 103 VAL 104 ALA 105 GLU 106 GLU 107 GLU 108 ASP 109 SER 110 ASP 111 ASP 112 ASP 113 VAL 114 GLU 115 PRO 116 ILE 117 ALA 118 GLU 119 PHE 120 ARG 121 PHE 122 VAL 123 PRO 124 SER 125 ASP 126 LYS 127 SER 128 ALA 129 LEU 130 GLU 131 ALA 132 MET 133 PHE 134 THR 135 ALA 136 MET 137 CYS 138 GLU 139 CYS 140 GLN 141 ALA 142 LEU 143 HIS 144 PRO 145 ASP 146 PRO 147 GLU 148 ASP 149 GLU 150 ASP 151 SER 152 ASP 153 ASP 154 TYR 155 ASP 156 GLY 157 GLU 158 GLU 159 TYR 160 ASP 161 VAL 162 GLU 163 ALA 164 HIS 165 GLU 166 GLN 167 GLY 168 GLN 169 GLY 170 ASP 171 ILE 172 PRO 173 THR 174 PHE 175 TYR 176 THR 177 TYR 178 GLU 179 GLU 180 GLY 181 LEU 182 SER 183 HIS 184 LEU 185 THR 186 ALA 187 GLU 188 GLY 189 GLN 190 ALA 191 THR 192 LEU 193 GLU 194 ARG 195 LEU 196 GLU 197 GLY 198 MET 199 LEU 200 SER 201 GLN 202 SER 203 VAL 204 SER 205 SER 206 GLN 207 TYR 208 ASN 209 MET 210 ALA 211 GLY 212 VAL 213 ARG 214 THR 215 GLU 216 ASP 217 SER 218 THR 219 ARG 220 ASP 221 TYR 222 GLU 223 ASP 224 GLY 225 MET 226 GLU 227 VAL 228 ASP 229 THR 230 THR 231 PRO 232 THR 233 VAL 234 ALA 235 GLY 236 GLN 237 PHE 238 GLU 239 ASP 240 ALA 241 ASP 242 VAL 243 ASP 244 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1ZYI "Solution Structure Of Icln, A Multifunctional Protein Involved In Regulatory Mechanisms As Different As Cell Volume Regulation " 100.00 171 100.00 100.00 5.88e-119 EMBL CAA46447 "chloride channel [Canis lupus familiaris]" 94.64 235 100.00 100.00 8.42e-111 GB EFB16643 "hypothetical protein PANDA_004374 [Ailuropoda melanoleuca]" 95.24 214 98.13 98.75 1.45e-108 PRF 1808296A "Cl channel" 94.64 235 98.74 99.37 5.75e-109 REF NP_001003288 "methylosome subunit pICln [Canis lupus familiaris]" 94.64 235 100.00 100.00 8.42e-111 REF XP_002916314 "PREDICTED: methylosome subunit pICln-like [Ailuropoda melanoleuca]" 95.24 236 98.13 98.75 3.48e-108 REF XP_003992740 "PREDICTED: methylosome subunit pICln [Felis catus]" 95.83 237 98.14 98.76 2.57e-108 REF XP_004391878 "PREDICTED: methylosome subunit pICln [Odobenus rosmarus divergens]" 94.64 235 98.74 100.00 1.45e-109 REF XP_004781086 "PREDICTED: methylosome subunit pICln isoform X1 [Mustela putorius furo]" 95.24 286 97.50 98.13 1.53e-105 SP P35521 "RecName: Full=Methylosome subunit pICln; AltName: Full=Chloride channel, nucleotide sensitive 1A; AltName: Full=Chloride conduc" 94.64 235 100.00 100.00 8.42e-111 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ $ICln Dog 9615 Eukaryota Metazoa Canis familiaris kidney 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 $ICln 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_max_value _Isotopic_labeling $ICln . mM 1 . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D CBCACONH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'ICln monomer' _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 . 12 PHE N N 119.40 0.10 . 2 . 12 PHE H H 7.77 0.01 . 3 . 12 PHE CA C 47.31 0.10 . 4 . 12 PHE CB C 39.40 0.10 . 5 . 12 PHE C C 174.97 0.10 . 6 . 13 LEU N N 120.74 0.10 . 7 . 13 LEU H H 7.56 0.01 . 8 . 13 LEU CA C 54.77 0.10 . 9 . 13 LEU CB C 41.87 0.10 . 10 . 13 LEU C C 176.57 0.10 . 11 . 14 LYS N N 121.17 0.10 . 12 . 14 LYS H H 9.40 0.01 . 13 . 14 LYS CA C 54.90 0.10 . 14 . 14 LYS CB C 36.84 0.10 . 15 . 14 LYS C C 175.12 0.10 . 16 . 15 SER N N 115.23 0.10 . 17 . 15 SER H H 8.61 0.01 . 18 . 15 SER CA C 57.69 0.10 . 19 . 15 SER CB C 64.03 0.10 . 20 . 15 SER C C 174.53 0.10 . 21 . 16 PHE N N 121.84 0.10 . 22 . 16 PHE H H 6.82 0.01 . 23 . 16 PHE CA C 55.07 0.10 . 24 . 16 PHE CB C 37.48 0.10 . 25 . 19 PRO CA C 62.73 0.10 . 26 . 19 PRO CB C 32.50 0.10 . 27 . 19 PRO C C 175.37 0.10 . 28 . 20 GLY N N 108.92 0.10 . 29 . 20 GLY H H 8.66 0.01 . 30 . 20 GLY CA C 44.31 0.10 . 31 . 22 ALA CA C 54.51 0.10 . 32 . 22 ALA CB C 18.10 0.10 . 33 . 22 ALA C C 178.41 0.10 . 34 . 23 GLU N N 116.19 0.10 . 35 . 23 GLU H H 7.49 0.01 . 36 . 23 GLU CA C 57.12 0.10 . 37 . 23 GLU CB C 29.80 0.10 . 38 . 23 GLU C C 176.46 0.10 . 39 . 24 GLY N N 108.23 0.10 . 40 . 24 GLY H H 8.02 0.01 . 41 . 24 GLY CA C 47.31 0.10 . 42 . 24 GLY C C 175.96 0.10 . 43 . 25 LEU N N 121.13 0.10 . 44 . 25 LEU H H 7.61 0.01 . 45 . 25 LEU CA C 57.34 0.10 . 46 . 25 LEU CB C 42.03 0.10 . 47 . 25 LEU C C 176.01 0.10 . 48 . 26 ARG N N 126.79 0.10 . 49 . 26 ARG H H 9.00 0.01 . 50 . 26 ARG CA C 63.09 0.10 . 51 . 26 ARG CB C 32.05 0.10 . 52 . 26 ARG C C 175.55 0.10 . 53 . 27 GLN N N 118.79 0.10 . 54 . 27 GLN H H 7.77 0.01 . 55 . 27 GLN CA C 56.15 0.10 . 56 . 27 GLN CB C 32.14 0.10 . 57 . 27 GLN C C 172.62 0.10 . 58 . 28 GLN N N 124.56 0.10 . 59 . 28 GLN H H 8.64 0.01 . 60 . 28 GLN CA C 53.27 0.10 . 61 . 28 GLN CB C 32.34 0.10 . 62 . 30 PRO CA C 62.58 0.10 . 63 . 30 PRO CB C 33.57 0.10 . 64 . 30 PRO C C 174.36 0.10 . 65 . 31 GLU N N 116.50 0.10 . 66 . 31 GLU H H 8.94 0.01 . 67 . 31 GLU CA C 56.99 0.10 . 68 . 31 GLU CB C 27.93 0.10 . 69 . 31 GLU C C 175.62 0.10 . 70 . 32 THR N N 115.86 0.10 . 71 . 32 THR H H 9.75 0.01 . 72 . 32 THR CA C 62.47 0.10 . 73 . 32 THR CB C 69.86 0.10 . 74 . 32 THR C C 176.05 0.10 . 75 . 33 GLU N N 134.31 0.10 . 76 . 33 GLU H H 8.92 0.01 . 77 . 33 GLU CA C 56.01 0.10 . 78 . 33 GLU CB C 31.42 0.10 . 79 . 33 GLU C C 175.67 0.10 . 80 . 34 ALA N N 125.62 0.10 . 81 . 34 ALA H H 7.72 0.01 . 82 . 34 ALA CA C 50.41 0.10 . 83 . 34 ALA CB C 19.44 0.10 . 84 . 35 VAL N N 123.17 0.10 . 85 . 35 VAL H H 8.36 0.01 . 86 . 35 VAL CA C 60.68 0.10 . 87 . 35 VAL CB C 34.29 0.10 . 88 . 35 VAL C C 174.27 0.10 . 89 . 36 LEU N N 127.85 0.10 . 90 . 36 LEU H H 8.56 0.01 . 91 . 36 LEU CA C 52.76 0.10 . 92 . 36 LEU CB C 43.97 0.10 . 93 . 36 LEU C C 175.54 0.10 . 94 . 37 ASN N N 128.80 0.10 . 95 . 37 ASN H H 9.40 0.01 . 96 . 37 ASN CA C 53.97 0.10 . 97 . 37 ASN CB C 36.91 0.10 . 98 . 37 ASN C C 177.95 0.10 . 99 . 38 GLY N N 102.40 0.10 . 100 . 38 GLY H H 8.41 0.01 . 101 . 38 GLY CA C 45.56 0.10 . 102 . 38 GLY C C 173.52 0.10 . 103 . 39 LYS N N 123.40 0.10 . 104 . 39 LYS H H 8.01 0.01 . 105 . 39 LYS CA C 54.81 0.10 . 106 . 39 LYS CB C 33.58 0.10 . 107 . 39 LYS C C 175.33 0.10 . 108 . 40 GLY N N 113.96 0.10 . 109 . 40 GLY H H 8.90 0.01 . 110 . 40 GLY CA C 47.03 0.10 . 111 . 40 GLY C C 174.69 0.10 . 112 . 41 LEU N N 124.56 0.10 . 113 . 41 LEU H H 9.27 0.01 . 114 . 41 LEU CA C 54.54 0.10 . 115 . 41 LEU CB C 43.15 0.10 . 116 . 41 LEU C C 176.23 0.10 . 117 . 42 GLY N N 107.81 0.10 . 118 . 42 GLY H H 8.26 0.01 . 119 . 42 GLY CA C 43.81 0.10 . 120 . 42 GLY C C 172.35 0.10 . 121 . 43 THR N N 113.74 0.10 . 122 . 43 THR H H 8.66 0.01 . 123 . 43 THR CA C 62.90 0.10 . 124 . 43 THR CB C 70.16 0.10 . 125 . 43 THR C C 173.84 0.10 . 126 . 44 GLY N N 114.59 0.10 . 127 . 44 GLY H H 8.27 0.01 . 128 . 44 GLY CA C 45.88 0.10 . 129 . 44 GLY C C 171.27 0.10 . 130 . 45 THR N N 118.62 0.10 . 131 . 45 THR H H 8.15 0.01 . 132 . 45 THR CA C 60.90 0.10 . 133 . 45 THR CB C 70.67 0.10 . 134 . 45 THR C C 171.68 0.10 . 135 . 46 LEU N N 126.04 0.10 . 136 . 46 LEU H H 8.04 0.01 . 137 . 46 LEU CA C 53.16 0.10 . 138 . 46 LEU CB C 45.85 0.10 . 139 . 46 LEU C C 173.80 0.10 . 140 . 47 TYR N N 125.41 0.10 . 141 . 47 TYR H H 9.81 0.01 . 142 . 47 TYR CA C 57.48 0.10 . 143 . 47 TYR CB C 39.44 0.10 . 144 . 47 TYR C C 175.19 0.10 . 145 . 48 ILE N N 123.92 0.10 . 146 . 48 ILE H H 9.05 0.01 . 147 . 48 ILE CA C 61.65 0.10 . 148 . 48 ILE CB C 37.61 0.10 . 149 . 48 ILE C C 173.76 0.10 . 150 . 49 ALA N N 128.38 0.10 . 151 . 49 ALA H H 7.32 0.01 . 152 . 49 ALA CA C 49.19 0.10 . 153 . 49 ALA CB C 21.78 0.10 . 154 . 49 ALA C C 176.16 0.10 . 155 . 50 GLU N N 121.74 0.10 . 156 . 50 GLU H H 8.60 0.01 . 157 . 50 GLU CA C 60.40 0.10 . 158 . 50 GLU CB C 29.54 0.10 . 159 . 50 GLU C C 177.72 0.10 . 160 . 51 SER N N 108.66 0.10 . 161 . 51 SER H H 8.01 0.01 . 162 . 51 SER CA C 60.68 0.10 . 163 . 51 SER CB C 63.27 0.10 . 164 . 51 SER C C 174.91 0.10 . 165 . 52 ARG N N 115.34 0.10 . 166 . 52 ARG H H 7.24 0.01 . 167 . 52 ARG CA C 55.16 0.10 . 168 . 52 ARG CB C 30.30 0.10 . 169 . 52 ARG C C 172.83 0.10 . 170 . 53 LEU N N 122.65 0.10 . 171 . 53 LEU H H 7.65 0.01 . 172 . 53 LEU CA C 54.12 0.10 . 173 . 53 LEU CB C 44.29 0.10 . 174 . 53 LEU C C 176.37 0.10 . 175 . 54 SER N N 119.05 0.10 . 176 . 54 SER H H 9.21 0.01 . 177 . 54 SER CA C 58.14 0.10 . 178 . 54 SER CB C 67.11 0.10 . 179 . 54 SER C C 170.43 0.10 . 180 . 55 TRP N N 125.71 0.10 . 181 . 55 TRP H H 8.78 0.01 . 182 . 55 TRP CA C 56.70 0.10 . 183 . 55 TRP CB C 32.47 0.10 . 184 . 55 TRP C C 174.27 0.10 . 185 . 56 LEU N N 124.77 0.10 . 186 . 56 LEU H H 7.50 0.01 . 187 . 56 LEU CA C 53.56 0.10 . 188 . 56 LEU CB C 48.56 0.10 . 189 . 56 LEU C C 175.55 0.10 . 190 . 57 ASP N N 123.82 0.10 . 191 . 57 ASP H H 8.95 0.01 . 192 . 57 ASP CA C 52.48 0.10 . 193 . 57 ASP CB C 41.06 0.10 . 194 . 57 ASP C C 177.91 0.10 . 195 . 58 GLY N N 105.45 0.10 . 196 . 58 GLY H H 8.47 0.01 . 197 . 58 GLY CA C 46.77 0.10 . 198 . 58 GLY C C 175.23 0.10 . 199 . 59 SER N N 117.14 0.10 . 200 . 59 SER H H 8.80 0.01 . 201 . 59 SER CA C 58.07 0.10 . 202 . 59 SER CB C 64.45 0.10 . 203 . 59 SER C C 174.43 0.10 . 204 . 60 GLY N N 110.45 0.10 . 205 . 60 GLY H H 8.03 0.01 . 206 . 60 GLY CA C 46.03 0.10 . 207 . 60 GLY C C 172.54 0.10 . 208 . 61 LEU N N 122.01 0.10 . 209 . 61 LEU H H 7.97 0.01 . 210 . 61 LEU CA C 53.07 0.10 . 211 . 61 LEU CB C 44.36 0.10 . 212 . 61 LEU C C 176.77 0.10 . 213 . 62 GLY N N 108.61 0.10 . 214 . 62 GLY H H 9.19 0.01 . 215 . 62 GLY CA C 47.36 0.10 . 216 . 62 GLY C C 172.30 0.10 . 217 . 63 PHE N N 116.71 0.10 . 218 . 63 PHE H H 9.03 0.01 . 219 . 63 PHE CA C 56.34 0.10 . 220 . 63 PHE CB C 42.03 0.10 . 221 . 63 PHE C C 172.44 0.10 . 222 . 64 SER N N 113.74 0.10 . 223 . 64 SER H H 8.74 0.01 . 224 . 64 SER CA C 56.87 0.10 . 225 . 64 SER CB C 66.62 0.10 . 226 . 64 SER C C 172.37 0.10 . 227 . 65 LEU N N 121.17 0.10 . 228 . 65 LEU H H 9.16 0.01 . 229 . 65 LEU CA C 52.72 0.10 . 230 . 65 LEU CB C 44.87 0.10 . 231 . 65 LEU C C 175.31 0.10 . 232 . 66 GLU N N 119.89 0.10 . 233 . 66 GLU H H 8.73 0.01 . 234 . 66 GLU CA C 54.85 0.10 . 235 . 66 GLU CB C 30.64 0.10 . 236 . 66 GLU C C 174.51 0.10 . 237 . 67 TYR N N 118.83 0.10 . 238 . 67 TYR H H 7.35 0.01 . 239 . 67 TYR CA C 53.57 0.10 . 240 . 67 TYR CB C 40.74 0.10 . 241 . 68 PRO CA C 65.77 0.10 . 242 . 68 PRO CB C 37.61 0.10 . 243 . 68 PRO C C 176.99 0.10 . 244 . 69 THR N N 104.50 0.10 . 245 . 69 THR H H 7.57 0.01 . 246 . 69 THR CA C 62.13 0.10 . 247 . 69 THR CB C 70.01 0.10 . 248 . 69 THR C C 173.82 0.10 . 249 . 70 ILE N N 123.29 0.10 . 250 . 70 ILE H H 7.82 0.01 . 251 . 70 ILE CA C 62.26 0.10 . 252 . 70 ILE CB C 38.36 0.10 . 253 . 70 ILE C C 175.74 0.10 . 254 . 71 SER N N 125.19 0.10 . 255 . 71 SER H H 8.92 0.01 . 256 . 71 SER CA C 59.17 0.10 . 257 . 71 SER CB C 64.35 0.10 . 258 . 71 SER C C 174.79 0.10 . 259 . 72 LEU N N 121.59 0.10 . 260 . 72 LEU H H 7.65 0.01 . 261 . 72 LEU CA C 56.06 0.10 . 262 . 72 LEU CB C 46.06 0.10 . 263 . 73 HIS H H 8.13 0.01 . 264 . 73 HIS CA C 55.34 0.10 . 265 . 73 HIS CB C 34.96 0.10 . 266 . 73 HIS C C 173.53 0.10 . 267 . 74 ALA N N 121.80 0.10 . 268 . 74 ALA H H 9.34 0.01 . 269 . 74 ALA CA C 52.31 0.10 . 270 . 74 ALA CB C 22.94 0.10 . 271 . 74 ALA C C 177.74 0.10 . 272 . 75 VAL N N 119.71 0.10 . 273 . 75 VAL H H 8.40 0.01 . 274 . 75 VAL CA C 56.88 0.10 . 275 . 75 VAL CB C 30.47 0.10 . 276 . 75 VAL C C 176.58 0.10 . 277 . 76 SER N N 117.16 0.10 . 278 . 76 SER H H 8.45 0.01 . 279 . 76 SER CA C 58.46 0.10 . 280 . 76 SER CB C 63.71 0.10 . 281 . 77 ARG N N 123.92 0.10 . 282 . 77 ARG H H 8.43 0.01 . 283 . 77 ARG CA C 56.69 0.10 . 284 . 77 ARG CB C 32.94 0.10 . 285 . 78 ASP CA C 53.54 0.10 . 286 . 78 ASP CB C 40.73 0.10 . 287 . 78 ASP C C 177.00 0.10 . 288 . 79 LEU N N 126.79 0.10 . 289 . 79 LEU H H 8.65 0.01 . 290 . 79 LEU CA C 55.58 0.10 . 291 . 79 LEU CB C 39.82 0.10 . 292 . 79 LEU C C 176.14 0.10 . 293 . 80 ASN N N 116.29 0.10 . 294 . 80 ASN H H 8.34 0.01 . 295 . 80 ASN CA C 54.92 0.10 . 296 . 80 ASN CB C 38.69 0.10 . 297 . 80 ASN C C 176.14 0.10 . 298 . 81 ALA N N 122.65 0.10 . 299 . 81 ALA H H 7.54 0.01 . 300 . 81 ALA CA C 53.65 0.10 . 301 . 81 ALA CB C 19.44 0.10 . 302 . 81 ALA C C 177.51 0.10 . 303 . 82 TYR N N 117.98 0.10 . 304 . 82 TYR H H 7.54 0.01 . 305 . 82 TYR CA C 57.18 0.10 . 306 . 82 TYR CB C 41.71 0.10 . 307 . 83 PRO CA C 65.46 0.10 . 308 . 83 PRO CB C 32.01 0.10 . 309 . 83 PRO C C 175.47 0.10 . 310 . 84 ARG N N 116.50 0.10 . 311 . 84 ARG H H 7.00 0.01 . 312 . 84 ARG CA C 54.62 0.10 . 313 . 84 ARG CB C 35.92 0.10 . 314 . 84 ARG C C 175.79 0.10 . 315 . 85 GLU N N 127.11 0.10 . 316 . 85 GLU H H 9.88 0.01 . 317 . 85 GLU CA C 58.34 0.10 . 318 . 85 GLU CB C 29.29 0.10 . 319 . 85 GLU C C 175.96 0.10 . 320 . 86 HIS N N 115.44 0.10 . 321 . 86 HIS H H 8.73 0.01 . 322 . 86 HIS CA C 56.42 0.10 . 323 . 86 HIS CB C 32.13 0.10 . 324 . 86 HIS C C 171.06 0.10 . 325 . 87 LEU N N 121.70 0.10 . 326 . 87 LEU H H 8.92 0.01 . 327 . 87 LEU CA C 54.06 0.10 . 328 . 87 LEU CB C 45.18 0.10 . 329 . 87 LEU C C 174.17 0.10 . 330 . 88 TYR N N 132.19 0.10 . 331 . 88 TYR H H 9.72 0.01 . 332 . 88 TYR CA C 56.95 0.10 . 333 . 88 TYR CB C 40.94 0.10 . 334 . 88 TYR C C 174.03 0.10 . 335 . 89 VAL N N 126.68 0.10 . 336 . 89 VAL H H 8.93 0.01 . 337 . 89 VAL CA C 61.52 0.10 . 338 . 89 VAL CB C 36.41 0.10 . 339 . 89 VAL C C 173.02 0.10 . 340 . 90 MET N N 127.32 0.10 . 341 . 90 MET H H 9.00 0.01 . 342 . 90 MET CA C 53.72 0.10 . 343 . 90 MET CB C 32.73 0.10 . 344 . 90 MET C C 173.91 0.10 . 345 . 91 VAL N N 124.38 0.10 . 346 . 91 VAL H H 9.06 0.01 . 347 . 91 VAL CA C 60.56 0.10 . 348 . 91 VAL CB C 35.95 0.10 . 349 . 91 VAL C C 175.07 0.10 . 350 . 92 ASN N N 126.04 0.10 . 351 . 92 ASN H H 9.11 0.01 . 352 . 92 ASN CA C 52.47 0.10 . 353 . 92 ASN CB C 38.23 0.10 . 354 . 92 ASN C C 173.82 0.10 . 355 . 93 ALA N N 123.08 0.10 . 356 . 93 ALA H H 7.87 0.01 . 357 . 93 ALA CA C 52.12 0.10 . 358 . 93 ALA CB C 21.27 0.10 . 359 . 93 ALA C C 174.91 0.10 . 360 . 94 LYS N N 118.41 0.10 . 361 . 94 LYS H H 8.11 0.01 . 362 . 94 LYS CA C 55.95 0.10 . 363 . 94 LYS CB C 33.53 0.10 . 364 . 95 PHE H H 8.36 0.01 . 365 . 95 PHE CA C 57.85 0.10 . 366 . 95 PHE CB C 40.89 0.10 . 367 . 95 PHE C C 175.58 0.10 . 368 . 96 GLY N N 110.14 0.10 . 369 . 96 GLY H H 8.33 0.01 . 370 . 96 GLY CA C 45.34 0.10 . 371 . 98 GLU CA C 63.24 0.10 . 372 . 98 GLU CB C 32.16 0.10 . 373 . 98 GLU C C 175.48 0.10 . 374 . 99 SER N N 122.44 0.10 . 375 . 99 SER H H 8.85 0.01 . 376 . 99 SER CA C 56.69 0.10 . 377 . 99 SER CB C 63.70 0.10 . 378 . 100 LYS CA C 54.56 0.10 . 379 . 100 LYS CB C 30.63 0.10 . 380 . 100 LYS C C 178.75 0.10 . 381 . 101 GLU N N 125.83 0.10 . 382 . 101 GLU H H 9.14 0.01 . 383 . 101 GLU CA C 64.60 0.10 . 384 . 101 GLU CB C 35.86 0.10 . 385 . 102 SER CA C 58.40 0.10 . 386 . 102 SER CB C 63.92 0.10 . 387 . 102 SER C C 174.46 0.10 . 388 . 103 VAL N N 121.55 0.10 . 389 . 103 VAL H H 8.14 0.01 . 390 . 103 VAL CA C 62.03 0.10 . 391 . 103 VAL CB C 32.82 0.10 . 392 . 103 VAL C C 175.87 0.10 . 393 . 104 ALA N N 127.42 0.10 . 394 . 104 ALA H H 8.36 0.01 . 395 . 104 ALA CA C 52.76 0.10 . 396 . 104 ALA CB C 19.21 0.10 . 397 . 104 ALA C C 177.66 0.10 . 398 . 105 GLU N N 118.09 0.10 . 399 . 105 GLU H H 8.25 0.01 . 400 . 112 ASP C C 175.90 0.10 . 401 . 113 VAL N N 119.68 0.10 . 402 . 113 VAL H H 7.88 0.01 . 403 . 113 VAL CA C 62.04 0.10 . 404 . 113 VAL CB C 33.04 0.10 . 405 . 113 VAL C C 176.00 0.10 . 406 . 114 GLU N N 126.58 0.10 . 407 . 114 GLU H H 8.50 0.01 . 408 . 114 GLU CA C 54.35 0.10 . 409 . 114 GLU CB C 29.98 0.10 . 410 . 116 ILE N N 119.25 0.10 . 411 . 116 ILE H H 7.90 0.01 . 412 . 116 ILE CA C 60.13 0.10 . 413 . 116 ILE CB C 41.09 0.10 . 414 . 116 ILE C C 175.10 0.10 . 415 . 117 ALA N N 129.01 0.10 . 416 . 117 ALA H H 8.97 0.01 . 417 . 117 ALA CA C 51.06 0.10 . 418 . 117 ALA CB C 21.69 0.10 . 419 . 117 ALA C C 174.82 0.10 . 420 . 118 GLU H H 8.23 0.01 . 421 . 118 GLU CA C 55.15 0.10 . 422 . 118 GLU CB C 32.68 0.10 . 423 . 118 GLU C C 174.78 0.10 . 424 . 119 PHE N N 126.04 0.10 . 425 . 119 PHE H H 9.37 0.01 . 426 . 119 PHE CA C 56.66 0.10 . 427 . 119 PHE CB C 42.24 0.10 . 428 . 119 PHE C C 175.00 0.10 . 429 . 120 ARG N N 117.14 0.10 . 430 . 120 ARG H H 8.63 0.01 . 431 . 120 ARG CA C 54.20 0.10 . 432 . 120 ARG CB C 32.19 0.10 . 433 . 120 ARG C C 174.52 0.10 . 434 . 121 PHE N N 120.32 0.10 . 435 . 121 PHE H H 9.45 0.01 . 436 . 121 PHE CA C 56.41 0.10 . 437 . 121 PHE CB C 40.62 0.10 . 438 . 121 PHE C C 175.56 0.10 . 439 . 122 VAL N N 126.58 0.10 . 440 . 122 VAL H H 9.55 0.01 . 441 . 122 VAL CA C 58.89 0.10 . 442 . 122 VAL CB C 32.91 0.10 . 443 . 123 PRO CA C 62.77 0.10 . 444 . 123 PRO CB C 31.66 0.10 . 445 . 123 PRO C C 176.34 0.10 . 446 . 124 SER N N 118.83 0.10 . 447 . 124 SER H H 8.71 0.01 . 448 . 124 SER CA C 63.32 0.10 . 449 . 124 SER CB C 61.12 0.10 . 450 . 124 SER C C 174.91 0.10 . 451 . 125 ASP N N 117.56 0.10 . 452 . 125 ASP H H 7.62 0.01 . 453 . 125 ASP CA C 51.88 0.10 . 454 . 125 ASP CB C 40.31 0.10 . 455 . 125 ASP C C 175.20 0.10 . 456 . 126 LYS N N 123.29 0.10 . 457 . 126 LYS H H 8.56 0.01 . 458 . 126 LYS CA C 58.30 0.10 . 459 . 126 LYS CB C 31.78 0.10 . 460 . 126 LYS C C 178.76 0.10 . 461 . 127 SER N N 117.14 0.10 . 462 . 127 SER H H 8.53 0.01 . 463 . 127 SER CA C 60.96 0.10 . 464 . 127 SER CB C 63.12 0.10 . 465 . 127 SER C C 175.17 0.10 . 466 . 128 ALA N N 123.71 0.10 . 467 . 128 ALA H H 7.46 0.01 . 468 . 128 ALA CA C 53.09 0.10 . 469 . 128 ALA CB C 19.64 0.10 . 470 . 128 ALA C C 177.78 0.10 . 471 . 129 LEU N N 116.71 0.10 . 472 . 129 LEU H H 7.20 0.01 . 473 . 129 LEU CA C 58.95 0.10 . 474 . 129 LEU CB C 41.87 0.10 . 475 . 129 LEU C C 178.15 0.10 . 476 . 130 GLU N N 118.09 0.10 . 477 . 130 GLU H H 8.32 0.01 . 478 . 130 GLU CA C 60.88 0.10 . 479 . 130 GLU CB C 28.56 0.10 . 480 . 130 GLU C C 178.93 0.10 . 481 . 131 ALA N N 123.82 0.10 . 482 . 131 ALA H H 8.32 0.01 . 483 . 131 ALA CA C 55.39 0.10 . 484 . 131 ALA CB C 18.07 0.10 . 485 . 131 ALA C C 181.40 0.10 . 486 . 132 MET N N 118.62 0.10 . 487 . 132 MET H H 8.31 0.01 . 488 . 132 MET CA C 59.44 0.10 . 489 . 132 MET CB C 35.64 0.10 . 490 . 132 MET C C 176.91 0.10 . 491 . 133 PHE N N 119.26 0.10 . 492 . 133 PHE H H 8.57 0.01 . 493 . 133 PHE CA C 62.37 0.10 . 494 . 133 PHE CB C 39.84 0.10 . 495 . 133 PHE C C 177.82 0.10 . 496 . 134 THR N N 117.56 0.10 . 497 . 134 THR H H 8.92 0.01 . 498 . 134 THR CA C 67.54 0.10 . 499 . 134 THR CB C 68.88 0.10 . 500 . 134 THR C C 176.08 0.10 . 501 . 135 ALA N N 122.97 0.10 . 502 . 135 ALA H H 7.99 0.01 . 503 . 135 ALA CA C 55.40 0.10 . 504 . 135 ALA CB C 18.46 0.10 . 505 . 135 ALA C C 179.45 0.10 . 506 . 136 MET N N 117.56 0.10 . 507 . 136 MET H H 8.11 0.01 . 508 . 136 MET CA C 59.81 0.10 . 509 . 136 MET CB C 31.95 0.10 . 510 . 136 MET C C 177.96 0.10 . 511 . 137 CYS N N 116.92 0.10 . 512 . 137 CYS H H 7.97 0.01 . 513 . 137 CYS CA C 63.45 0.10 . 514 . 137 CYS CB C 26.51 0.10 . 515 . 138 GLU H H 8.12 0.01 . 516 . 138 GLU CA C 59.36 0.10 . 517 . 138 GLU CB C 29.72 0.10 . 518 . 138 GLU C C 179.26 0.10 . 519 . 139 CYS N N 116.50 0.10 . 520 . 139 CYS H H 7.87 0.01 . 521 . 139 CYS CA C 63.93 0.10 . 522 . 139 CYS CB C 28.61 0.10 . 523 . 139 CYS C C 175.97 0.10 . 524 . 140 GLN N N 119.47 0.10 . 525 . 140 GLN H H 8.10 0.01 . 526 . 140 GLN CA C 59.06 0.10 . 527 . 140 GLN CB C 28.71 0.10 . 528 . 140 GLN C C 177.82 0.10 . 529 . 141 ALA N N 118.83 0.10 . 530 . 141 ALA H H 7.25 0.01 . 531 . 141 ALA CA C 53.34 0.10 . 532 . 141 ALA CB C 18.45 0.10 . 533 . 141 ALA C C 177.81 0.10 . 534 . 142 LEU N N 116.71 0.10 . 535 . 142 LEU H H 7.20 0.01 . 536 . 142 LEU CA C 55.13 0.10 . 537 . 142 LEU CB C 41.79 0.10 . 538 . 142 LEU C C 176.01 0.10 . 539 . 143 HIS N N 118.83 0.10 . 540 . 143 HIS H H 7.74 0.01 . 541 . 143 HIS CA C 53.65 0.10 . 542 . 143 HIS CB C 30.14 0.10 . 543 . 146 PRO CA C 63.62 0.10 . 544 . 146 PRO CB C 32.33 0.10 . 545 . 146 PRO C C 177.19 0.10 . 546 . 147 GLU N N 120.53 0.10 . 547 . 147 GLU H H 8.57 0.01 . 548 . 147 GLU CA C 56.69 0.10 . 549 . 147 GLU CB C 30.44 0.10 . 550 . 155 ASP CA C 54.16 0.10 . 551 . 155 ASP CB C 41.50 0.10 . 552 . 155 ASP C C 176.31 0.10 . 553 . 156 GLY N N 108.66 0.10 . 554 . 156 GLY H H 7.60 0.01 . 555 . 156 GLY CA C 45.52 0.10 . 556 . 156 GLY C C 173.35 0.10 . 557 . 157 GLU N N 124.88 0.10 . 558 . 157 GLU H H 7.91 0.01 . 559 . 157 GLU CA C 57.14 0.10 . 560 . 157 GLU CB C 30.47 0.10 . 561 . 162 GLU CA C 56.94 0.10 . 562 . 162 GLU CB C 30.19 0.10 . 563 . 162 GLU C C 176.48 0.10 . 564 . 163 ALA N N 124.35 0.10 . 565 . 163 ALA H H 8.10 0.01 . 566 . 163 ALA CA C 52.94 0.10 . 567 . 163 ALA CB C 19.19 0.10 . 568 . 166 GLN CA C 56.25 0.10 . 569 . 166 GLN CB C 29.56 0.10 . 570 . 166 GLN C C 176.54 0.10 . 571 . 167 GLY N N 110.78 0.10 . 572 . 167 GLY H H 8.49 0.01 . 573 . 167 GLY CA C 45.58 0.10 . 574 . 168 GLN N N 118.50 0.10 . 575 . 168 GLN H H 8.36 0.01 . 576 . 168 GLN CA C 57.53 0.10 . 577 . 168 GLN CB C 30.12 0.10 . 578 . 168 GLN C C 176.45 0.10 . 579 . 169 GLY N N 109.39 0.10 . 580 . 169 GLY H H 8.40 0.01 . 581 . 169 GLY CA C 45.65 0.10 . 582 . 169 GLY C C 173.69 0.10 . 583 . 170 ASP N N 120.35 0.10 . 584 . 170 ASP H H 8.26 0.01 . 585 . 170 ASP CA C 54.66 0.10 . 586 . 170 ASP CB C 41.67 0.10 . 587 . 170 ASP C C 175.90 0.10 . 588 . 171 ILE N N 121.97 0.10 . 589 . 171 ILE H H 8.04 0.01 . 590 . 171 ILE CA C 58.84 0.10 . 591 . 171 ILE CB C 38.66 0.10 . 592 . 171 ILE C C 174.61 0.10 . 593 . 172 PRO CA C 63.63 0.10 . 594 . 172 PRO CB C 32.47 0.10 . 595 . 172 PRO C C 176.75 0.10 . 596 . 173 THR N N 114.33 0.10 . 597 . 173 THR H H 8.09 0.01 . 598 . 173 THR CA C 62.40 0.10 . 599 . 173 THR CB C 70.34 0.10 . 600 . 173 THR C C 174.05 0.10 . 601 . 174 PHE N N 121.74 0.10 . 602 . 174 PHE H H 8.04 0.01 . 603 . 174 PHE CA C 57.72 0.10 . 604 . 174 PHE CB C 40.17 0.10 . 605 . 174 PHE C C 174.98 0.10 . 606 . 175 TYR N N 121.50 0.10 . 607 . 175 TYR H H 8.10 0.01 . 608 . 175 TYR CA C 58.15 0.10 . 609 . 175 TYR CB C 39.64 0.10 . 610 . 175 TYR C C 175.60 0.10 . 611 . 176 THR N N 115.49 0.10 . 612 . 176 THR H H 8.06 0.01 . 613 . 176 THR CA C 61.83 0.10 . 614 . 176 THR CB C 70.59 0.10 . 615 . 176 THR C C 173.98 0.10 . 616 . 177 TYR N N 122.43 0.10 . 617 . 177 TYR H H 8.23 0.01 . 618 . 177 TYR CA C 58.83 0.10 . 619 . 177 TYR CB C 39.06 0.10 . 620 . 177 TYR C C 175.96 0.10 . 621 . 178 GLU N N 122.43 0.10 . 622 . 178 GLU H H 8.37 0.01 . 623 . 178 GLU CA C 57.16 0.10 . 624 . 178 GLU CB C 30.28 0.10 . 625 . 178 GLU C C 176.59 0.10 . 626 . 179 GLU CA C 56.66 0.10 . 627 . 179 GLU CB C 30.15 0.10 . 628 . 179 GLU C C 177.40 0.10 . 629 . 180 GLY N N 109.94 0.10 . 630 . 180 GLY H H 8.40 0.01 . 631 . 180 GLY CA C 45.43 0.10 . 632 . 180 GLY C C 174.60 0.10 . 633 . 181 LEU N N 121.00 0.10 . 634 . 181 LEU H H 7.95 0.01 . 635 . 181 LEU CA C 55.84 0.10 . 636 . 181 LEU CB C 42.73 0.10 . 637 . 181 LEU C C 177.83 0.10 . 638 . 182 SER N N 115.72 0.10 . 639 . 182 SER H H 8.22 0.01 . 640 . 182 SER CA C 58.94 0.10 . 641 . 182 SER CB C 63.59 0.10 . 642 . 182 SER C C 174.66 0.10 . 643 . 183 HIS N N 119.65 0.10 . 644 . 183 HIS H H 8.10 0.01 . 645 . 183 HIS CA C 56.42 0.10 . 646 . 183 HIS CB C 29.86 0.10 . 647 . 183 HIS C C 176.74 0.10 . 648 . 184 LEU N N 122.43 0.10 . 649 . 184 LEU H H 8.24 0.01 . 650 . 184 LEU CA C 55.74 0.10 . 651 . 184 LEU CB C 42.81 0.10 . 652 . 184 LEU C C 177.70 0.10 . 653 . 185 THR N N 113.87 0.10 . 654 . 185 THR H H 8.07 0.01 . 655 . 185 THR CA C 61.95 0.10 . 656 . 185 THR CB C 70.72 0.10 . 657 . 185 THR C C 174.65 0.10 . 658 . 186 ALA N N 125.90 0.10 . 659 . 186 ALA H H 8.42 0.01 . 660 . 186 ALA CA C 53.64 0.10 . 661 . 186 ALA CB C 19.32 0.10 . 662 . 186 ALA C C 178.48 0.10 . 663 . 187 GLU N N 119.65 0.10 . 664 . 187 GLU H H 8.45 0.01 . 665 . 187 GLU CA C 57.84 0.10 . 666 . 187 GLU CB C 30.22 0.10 . 667 . 187 GLU C C 177.66 0.10 . 668 . 188 GLY N N 110.17 0.10 . 669 . 188 GLY H H 8.37 0.01 . 670 . 188 GLY CA C 46.15 0.10 . 671 . 188 GLY C C 174.71 0.10 . 672 . 189 GLN N N 120.35 0.10 . 673 . 189 GLN H H 8.21 0.01 . 674 . 189 GLN CA C 56.82 0.10 . 675 . 189 GLN CB C 29.64 0.10 . 676 . 189 GLN C C 176.30 0.10 . 677 . 190 ALA N N 124.28 0.10 . 678 . 190 ALA H H 8.31 0.01 . 679 . 190 ALA CA C 53.60 0.10 . 680 . 190 ALA CB C 19.27 0.10 . 681 . 190 ALA C C 178.51 0.10 . 682 . 191 THR N N 113.87 0.10 . 683 . 191 THR H H 8.11 0.01 . 684 . 191 THR CA C 63.19 0.10 . 685 . 191 THR CB C 70.05 0.10 . 686 . 191 THR C C 174.89 0.10 . 687 . 192 LEU N N 123.82 0.10 . 688 . 192 LEU H H 8.14 0.01 . 689 . 192 LEU CA C 56.20 0.10 . 690 . 192 LEU CB C 42.18 0.10 . 691 . 192 LEU C C 177.82 0.10 . 692 . 194 ARG CA C 56.90 0.10 . 693 . 194 ARG CB C 30.80 0.10 . 694 . 194 ARG C C 175.20 0.10 . 695 . 195 LEU N N 122.16 0.10 . 696 . 195 LEU H H 7.99 0.01 . 697 . 195 LEU CA C 55.35 0.10 . 698 . 195 LEU CB C 42.49 0.10 . 699 . 195 LEU C C 177.69 0.10 . 700 . 196 GLU CA C 57.84 0.10 . 701 . 196 GLU CB C 30.41 0.10 . 702 . 196 GLU C C 177.56 0.10 . 703 . 197 GLY N N 108.78 0.10 . 704 . 197 GLY H H 8.34 0.01 . 705 . 197 GLY CA C 45.64 0.10 . 706 . 197 GLY C C 174.64 0.10 . 707 . 203 VAL CA C 63.02 0.10 . 708 . 203 VAL CB C 33.09 0.10 . 709 . 203 VAL C C 176.46 0.10 . 710 . 204 SER N N 118.50 0.10 . 711 . 204 SER H H 8.36 0.01 . 712 . 204 SER CA C 58.70 0.10 . 713 . 204 SER CB C 63.68 0.10 . 714 . 204 SER C C 174.98 0.10 . 715 . 205 SER CA C 58.62 0.10 . 716 . 205 SER CB C 64.22 0.10 . 717 . 205 SER C C 177.11 0.10 . 718 . 206 GLN N N 121.27 0.10 . 719 . 206 GLN H H 8.16 0.01 . 720 . 206 GLN CA C 57.05 0.10 . 721 . 206 GLN CB C 30.98 0.10 . 722 . 206 GLN C C 176.77 0.10 . 723 . 207 TYR N N 122.89 0.10 . 724 . 207 TYR H H 8.22 0.01 . 725 . 207 TYR CA C 56.54 0.10 . 726 . 208 ASN CA C 53.76 0.10 . 727 . 208 ASN CB C 39.19 0.10 . 728 . 208 ASN C C 175.24 0.10 . 729 . 209 MET N N 120.81 0.10 . 730 . 209 MET H H 8.25 0.01 . 731 . 209 MET CA C 56.18 0.10 . 732 . 209 MET CB C 32.62 0.10 . 733 . 209 MET C C 176.09 0.10 . 734 . 210 ALA N N 124.28 0.10 . 735 . 210 ALA H H 8.22 0.01 . 736 . 210 ALA CA C 53.19 0.10 . 737 . 210 ALA CB C 19.43 0.10 . 738 . 210 ALA C C 178.20 0.10 . 739 . 211 GLY N N 108.08 0.10 . 740 . 211 GLY H H 8.29 0.01 . 741 . 211 GLY CA C 45.70 0.10 . 742 . 211 GLY C C 174.00 0.10 . 743 . 212 VAL N N 119.42 0.10 . 744 . 212 VAL H H 7.90 0.01 . 745 . 212 VAL CA C 62.63 0.10 . 746 . 212 VAL CB C 33.26 0.10 . 747 . 212 VAL C C 176.09 0.10 . 748 . 213 ARG N N 125.44 0.10 . 749 . 213 ARG H H 8.53 0.01 . 750 . 213 ARG CA C 56.33 0.10 . 751 . 213 ARG CB C 31.32 0.10 . 752 . 213 ARG C C 176.52 0.10 . 753 . 214 THR N N 116.64 0.10 . 754 . 214 THR H H 8.35 0.01 . 755 . 214 THR CA C 62.43 0.10 . 756 . 214 THR CB C 70.28 0.10 . 757 . 214 THR C C 174.86 0.10 . 758 . 215 GLU N N 122.89 0.10 . 759 . 215 GLU H H 8.65 0.01 . 760 . 215 GLU CA C 56.94 0.10 . 761 . 215 GLU CB C 30.20 0.10 . 762 . 215 GLU C C 176.23 0.10 . 763 . 216 ASP CA C 54.80 0.10 . 764 . 216 ASP CB C 41.64 0.10 . 765 . 216 ASP C C 176.52 0.10 . 766 . 217 SER N N 116.64 0.10 . 767 . 217 SER H H 8.32 0.01 . 768 . 217 SER CA C 59.13 0.10 . 769 . 217 SER CB C 64.22 0.10 . 770 . 217 SER C C 175.14 0.10 . 771 . 218 THR N N 115.72 0.10 . 772 . 218 THR H H 8.26 0.01 . 773 . 218 THR CA C 62.48 0.10 . 774 . 218 THR CB C 69.50 0.10 . 775 . 218 THR C C 174.65 0.10 . 776 . 219 ARG N N 122.93 0.10 . 777 . 219 ARG H H 8.18 0.01 . 778 . 219 ARG CA C 56.07 0.10 . 779 . 219 ARG CB C 30.99 0.10 . 780 . 219 ARG C C 175.43 0.10 . 781 . 220 ASP CA C 54.87 0.10 . 782 . 220 ASP CB C 41.53 0.10 . 783 . 220 ASP C C 175.81 0.10 . 784 . 221 TYR N N 119.89 0.10 . 785 . 221 TYR H H 8.06 0.01 . 786 . 221 TYR CA C 58.31 0.10 . 787 . 221 TYR CB C 39.30 0.10 . 788 . 221 TYR C C 175.81 0.10 . 789 . 222 GLU N N 122.43 0.10 . 790 . 222 GLU H H 8.27 0.01 . 791 . 222 GLU CA C 56.49 0.10 . 792 . 222 GLU CB C 30.60 0.10 . 793 . 222 GLU C C 176.03 0.10 . 794 . 223 ASP N N 121.39 0.10 . 795 . 223 ASP H H 8.32 0.01 . 796 . 223 ASP CA C 55.15 0.10 . 797 . 223 ASP CB C 41.68 0.10 . 798 . 223 ASP C C 176.92 0.10 . 799 . 224 GLY N N 109.47 0.10 . 800 . 224 GLY H H 8.41 0.01 . 801 . 224 GLY CA C 45.50 0.10 . 802 . 224 GLY C C 174.44 0.10 . 803 . 225 MET N N 119.65 0.10 . 804 . 225 MET H H 8.12 0.01 . 805 . 225 MET CA C 55.87 0.10 . 806 . 225 MET CB C 33.02 0.10 . 807 . 225 MET C C 176.18 0.10 . 808 . 226 GLU N N 122.43 0.10 . 809 . 226 GLU H H 8.54 0.01 . 810 . 226 GLU CA C 56.98 0.10 . 811 . 226 GLU CB C 30.45 0.10 . 812 . 226 GLU C C 176.35 0.10 . 813 . 227 VAL N N 121.04 0.10 . 814 . 227 VAL H H 8.15 0.01 . 815 . 227 VAL CA C 62.44 0.10 . 816 . 227 VAL CB C 33.53 0.10 . 817 . 227 VAL C C 175.70 0.10 . 818 . 228 ASP N N 124.28 0.10 . 819 . 228 ASP H H 8.48 0.01 . 820 . 228 ASP CA C 54.60 0.10 . 821 . 228 ASP CB C 41.62 0.10 . 822 . 228 ASP C C 176.50 0.10 . 823 . 229 THR N N 115.03 0.10 . 824 . 229 THR H H 8.21 0.01 . 825 . 229 THR CA C 61.87 0.10 . 826 . 229 THR CB C 70.10 0.10 . 827 . 229 THR C C 174.69 0.10 . 828 . 230 THR N N 120.12 0.10 . 829 . 230 THR H H 8.31 0.01 . 830 . 230 THR CA C 60.71 0.10 . 831 . 230 THR CB C 69.57 0.10 . 832 . 230 THR C C 172.92 0.10 . 833 . 231 PRO CA C 63.73 0.10 . 834 . 231 PRO CB C 32.53 0.10 . 835 . 231 PRO C C 177.07 0.10 . 836 . 232 THR N N 115.72 0.10 . 837 . 232 THR H H 8.32 0.01 . 838 . 232 THR CA C 62.61 0.10 . 839 . 232 THR CB C 70.24 0.10 . 840 . 232 THR C C 174.62 0.10 . 841 . 233 VAL N N 123.12 0.10 . 842 . 233 VAL H H 8.19 0.01 . 843 . 233 VAL CA C 62.40 0.10 . 844 . 233 VAL CB C 33.33 0.10 . 845 . 233 VAL C C 175.72 0.10 . 846 . 234 ALA N N 128.22 0.10 . 847 . 234 ALA H H 8.43 0.01 . 848 . 234 ALA CA C 53.05 0.10 . 849 . 234 ALA CB C 19.58 0.10 . 850 . 234 ALA C C 178.21 0.10 . 851 . 235 GLY N N 108.31 0.10 . 852 . 235 GLY H H 8.39 0.01 . 853 . 235 GLY CA C 45.87 0.10 . 854 . 235 GLY C C 173.94 0.10 . 855 . 236 GLN N N 119.65 0.10 . 856 . 236 GLN H H 8.12 0.01 . 857 . 236 GLN CA C 56.54 0.10 . 858 . 236 GLN CB C 29.87 0.10 . 859 . 236 GLN C C 176.67 0.10 . 860 . 237 PHE N N 120.81 0.10 . 861 . 237 PHE H H 8.34 0.01 . 862 . 237 PHE CA C 58.04 0.10 . 863 . 237 PHE CB C 39.79 0.10 . 864 . 237 PHE C C 175.72 0.10 . 865 . 238 GLU N N 122.43 0.10 . 866 . 238 GLU H H 8.39 0.01 . 867 . 238 GLU CA C 57.00 0.10 . 868 . 238 GLU CB C 30.84 0.10 . 869 . 238 GLU C C 175.94 0.10 . 870 . 239 ASP N N 121.74 0.10 . 871 . 239 ASP H H 8.35 0.01 . 872 . 239 ASP CA C 54.68 0.10 . 873 . 239 ASP CB C 41.58 0.10 . 874 . 239 ASP C C 175.96 0.10 . 875 . 240 ALA N N 124.17 0.10 . 876 . 240 ALA H H 8.22 0.01 . 877 . 240 ALA CA C 53.01 0.10 . 878 . 240 ALA CB C 19.87 0.10 . 879 . 240 ALA C C 177.48 0.10 . 880 . 241 ASP N N 119.65 0.10 . 881 . 241 ASP H H 8.39 0.01 . 882 . 241 ASP CA C 54.67 0.10 . 883 . 241 ASP CB C 41.45 0.10 . 884 . 241 ASP C C 176.23 0.10 . 885 . 242 VAL N N 118.50 0.10 . 886 . 242 VAL H H 7.90 0.01 . 887 . 242 VAL CA C 62.29 0.10 . 888 . 242 VAL CB C 33.38 0.10 . 889 . 242 VAL C C 175.77 0.10 . 890 . 243 ASP N N 123.59 0.10 . 891 . 243 ASP H H 8.34 0.01 . 892 . 243 ASP CA C 54.87 0.10 . 893 . 243 ASP CB C 41.57 0.10 . 894 . 243 ASP C C 175.16 0.10 . 895 . 244 HIS N N 123.59 0.10 . 896 . 244 HIS H H 7.85 0.01 . 897 . 244 HIS CA C 57.23 0.10 . 898 . 244 HIS CB C 30.36 0.10 . 899 . 244 HIS C C 179.00 0.10 . stop_ save_