data_4039 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignments of the 1H, 15N and 13C resonances of the calcium-free form of the first C2-domain of synaptotagmin I ; _BMRB_accession_number 4039 _BMRB_flat_file_name bmr4039.str _Entry_type update _Submission_date 1997-06-23 _Accession_date 1997-09-10 _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 Shao Xuguang . . 2 Sudhof Thomas . . 3 Rizo Josep . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 786 "13C chemical shifts" 615 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-02-16 reformat BMRB 'Format updated to NMR-STAR version 2.1' stop_ loop_ _Related_BMRB_accession_number _Relationship 4041 'chemical shifts for the calcium-bound form of SytI-C2A' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Shao, X., Sudhof, T., and Rizo, J., "Assignments of the 1H, 15N and 13C resonances of the calcium-free and calcium-bound forms of the first C2-domain of synaptotagmin I," ; _Citation_title ; Assignments of the 1H, 15N and 13C resonances of the calcium-free and calcium-bound forms of the first C2-domain of synaptotagmin I ; _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shao Xuguang . . 2 Sudhof Thomas . . 3 Rizo Josep . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword '1H, 15N and 13C assignments' 'Ca2+ binding' synaptotagmin stop_ save_ ################################## # Molecular system description # ################################## save_system_SytI-C2A_apo _Saveframe_category molecular_system _Mol_system_name 'synaptotagmin I C2A' _Abbreviation_common SytI-C2A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SytI-C2A peptide' $SytI-C2A_apo stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details ; Assignments for rat synaptotagmin I C2A domain were obtained in both calcium-free form. ; save_ ######################## # Monomeric polymers # ######################## save_SytI-C2A_apo _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'synaptotagmin I C2A' _Name_variant 'first C2 domain of synaptotagmin' _Molecular_mass 14754 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; EKLGKLQYSLDYDFQNNQLL VGIIQAAELPALDMGGTSDP YVKVFLLPDKKKKFETKVHR KTLNPVFNEQFTFKVPYSEL GGKTLVMAVYDFDRFSKHDI IGEFKVPMNTVDFGHVTEEW RDLQSAEK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 140 GLU 2 141 LYS 3 142 LEU 4 143 GLY 5 144 LYS 6 145 LEU 7 146 GLN 8 147 TYR 9 148 SER 10 149 LEU 11 150 ASP 12 151 TYR 13 152 ASP 14 153 PHE 15 154 GLN 16 155 ASN 17 156 ASN 18 157 GLN 19 158 LEU 20 159 LEU 21 160 VAL 22 161 GLY 23 162 ILE 24 163 ILE 25 164 GLN 26 165 ALA 27 166 ALA 28 167 GLU 29 168 LEU 30 169 PRO 31 170 ALA 32 171 LEU 33 172 ASP 34 173 MET 35 174 GLY 36 175 GLY 37 176 THR 38 177 SER 39 178 ASP 40 179 PRO 41 180 TYR 42 181 VAL 43 182 LYS 44 183 VAL 45 184 PHE 46 185 LEU 47 186 LEU 48 187 PRO 49 188 ASP 50 189 LYS 51 190 LYS 52 191 LYS 53 192 LYS 54 193 PHE 55 194 GLU 56 195 THR 57 196 LYS 58 197 VAL 59 198 HIS 60 199 ARG 61 200 LYS 62 201 THR 63 202 LEU 64 203 ASN 65 204 PRO 66 205 VAL 67 206 PHE 68 207 ASN 69 208 GLU 70 209 GLN 71 210 PHE 72 211 THR 73 212 PHE 74 213 LYS 75 214 VAL 76 215 PRO 77 216 TYR 78 217 SER 79 218 GLU 80 219 LEU 81 220 GLY 82 221 GLY 83 222 LYS 84 223 THR 85 224 LEU 86 225 VAL 87 226 MET 88 227 ALA 89 228 VAL 90 229 TYR 91 230 ASP 92 231 PHE 93 232 ASP 94 233 ARG 95 234 PHE 96 235 SER 97 236 LYS 98 237 HIS 99 238 ASP 100 239 ILE 101 240 ILE 102 241 GLY 103 242 GLU 104 243 PHE 105 244 LYS 106 245 VAL 107 246 PRO 108 247 MET 109 248 ASN 110 249 THR 111 250 VAL 112 251 ASP 113 252 PHE 114 253 GLY 115 254 HIS 116 255 VAL 117 256 THR 118 257 GLU 119 258 GLU 120 259 TRP 121 260 ARG 122 261 ASP 123 262 LEU 124 263 GLN 125 264 SER 126 265 ALA 127 266 GLU 128 267 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15785 C2A 100.00 128 100.00 100.00 8.23e-88 BMRB 15952 "C2A domain" 100.00 128 100.00 100.00 8.23e-88 BMRB 17102 C2A 98.44 143 99.21 100.00 1.16e-85 BMRB 4041 "synaptotagmin I C2A" 100.00 128 100.00 100.00 8.23e-88 BMRB 4166 "C2A domain of synaptotagmin I" 100.00 128 99.22 100.00 2.65e-87 BMRB 4167 "C2A domain of synaptotagmin I" 100.00 128 99.22 100.00 2.65e-87 PDB 1BYN "Solution Structure Of The Calcium-Bound First C2-Domain Of Synaptotagmin I" 100.00 128 100.00 100.00 8.23e-88 PDB 1RSY "Structure Of The First C2-domain Of Synaptotagmin I: A Novel Ca2+(slash)phospholipid Binding Fold" 99.22 152 100.00 100.00 5.52e-87 PDB 2K45 "C2a Domain Of Synaptototagmin I Solution Structure In The Fgf-1-C2a Binary Complex: Key Component In The Fibroblast Growthfacto" 100.00 128 100.00 100.00 8.23e-88 PDB 2K4A "Fgf-1-C2a Binary Complex Structure: A Key Component In The Fibroblast Growthfactor Non-Classical Pathway" 100.00 128 100.00 100.00 8.23e-88 PDB 2K8M "S100a13-C2a Binary Complex Structure" 100.00 128 100.00 100.00 8.23e-88 PDB 2KI6 "The Fgf1-S100a13-C2a Hetero-Hexameric Complex Structure: A C In The Non-Classical Pathway For Fgf1 Secretion" 100.00 128 100.00 100.00 8.23e-88 PDB 3F00 "Crystal Structure Of Synaptotagmin I C2a Domain With Cu(Ii)" 98.44 143 100.00 100.00 3.84e-86 PDB 3F01 "Crystal Structure Of Synaptotagmin I C2a Domain With Cu(Ii)" 98.44 143 100.00 100.00 3.37e-86 PDB 3F04 "Crystal Structure Of Synaptotagmin I C2a Domain" 98.44 143 100.00 100.00 3.37e-86 PDB 3F05 "Crystal Structure Of Synaptotagmin I C2a Domain With Mn(Ii)" 98.44 143 100.00 100.00 3.37e-86 GB AAK15077 "synaptotagmin I variant b [Bos taurus]" 100.00 279 100.00 100.00 5.39e-87 GB ELW70522 "Synaptotagmin-1 [Tupaia chinensis]" 100.00 395 100.00 100.00 2.09e-85 GB EPY85163 "synaptotagmin-1 [Camelus ferus]" 100.00 277 100.00 100.00 6.02e-87 GB KFO26677 "Synaptotagmin-1 [Fukomys damarensis]" 100.00 338 100.00 100.00 2.46e-86 GB KFP32561 "Synaptotagmin-1, partial [Colius striatus]" 58.59 217 97.33 100.00 1.85e-43 REF XP_005976391 "PREDICTED: synaptotagmin-1-like [Pantholops hodgsonii]" 100.00 279 100.00 100.00 4.29e-87 REF XP_010164835 "PREDICTED: synaptotagmin-1-like, partial [Caprimulgus carolinensis]" 57.81 179 97.30 100.00 4.27e-43 REF XP_010202276 "PREDICTED: synaptotagmin-1, partial [Colius striatus]" 57.81 216 97.30 100.00 9.15e-43 REF XP_010211789 "PREDICTED: synaptotagmin-1-like, partial [Tinamus guttatus]" 85.94 249 97.27 99.09 3.81e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SytI-C2A_apo rat . Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name _Details $SytI-C2A_apo 'recombinant technology' 'E. coli' . . BL21 DE3 plasmid pGex-KG 'natural source' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_SytI-C2A_apo _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SytI-C2A_apo 1.0 mM '[U-15N; U-13C]' EGTA 0.2 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ####################### # Sample conditions # ####################### save_sample_conditions_set_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.1 n/a temperature 307 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details ; Methods of reference follow the guidelines suggested in "Wishart, D.S. and Sykes, B.D. Methods in Enzymology 239:363-385 Chemical shifts as tool for structure determination (1994) ; 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 DSS C 13 'methyl protons' ppm 0.00 internal direct . . . DSS H 1 'methyl protons' ppm 0.00 internal direct . . . Nitromethane N 15 nitrogen ppm 379.6 external indirect . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_apo _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_SytI-C2A_apo stop_ _Sample_conditions_label $sample_conditions_set_2 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'SytI-C2A peptide' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 GLU H H 8.43 0.02 1 2 . 1 GLU HA H 4.31 0.02 1 3 . 1 GLU HB2 H 2.02 0.02 1 4 . 1 GLU HB3 H 1.93 0.02 1 5 . 1 GLU HG2 H 2.28 0.02 1 6 . 1 GLU HG3 H 2.22 0.02 1 7 . 1 GLU C C 175.4 0.1 1 8 . 1 GLU CA C 55.95 0.1 1 9 . 1 GLU CB C 29.71 0.1 1 10 . 1 GLU CG C 35.08 0.1 1 11 . 1 GLU CD C 182.4 0.1 1 12 . 1 GLU N N 124.3 0.1 1 13 . 2 LYS H H 8.32 0.02 1 14 . 2 LYS HA H 4.44 0.02 1 15 . 2 LYS HB2 H 1.89 0.02 1 16 . 2 LYS HB3 H 1.77 0.02 1 17 . 2 LYS HG2 H 1.46 0.02 1 18 . 2 LYS HG3 H 1.38 0.02 1 19 . 2 LYS HD2 H 1.67 0.02 1 20 . 2 LYS HD3 H 1.67 0.02 1 21 . 2 LYS HE2 H 2.97 0.02 1 22 . 2 LYS HE3 H 2.97 0.02 1 23 . 2 LYS C C 176.1 0.1 1 24 . 2 LYS CA C 55.60 0.1 1 25 . 2 LYS CB C 31.73 0.1 1 26 . 2 LYS CG C 24.12 0.1 1 27 . 2 LYS CD C 28.62 0.1 1 28 . 2 LYS CE C 42.20 0.1 1 29 . 2 LYS N N 123.1 0.1 1 30 . 3 LEU H H 8.37 0.02 1 31 . 3 LEU HA H 4.37 0.02 1 32 . 3 LEU HB2 H 1.55 0.02 1 33 . 3 LEU HB3 H 1.55 0.02 1 34 . 3 LEU HG H 1.43 0.02 1 35 . 3 LEU HD1 H 0.81 0.02 1 36 . 3 LEU HD2 H 0.81 0.02 1 37 . 3 LEU C C 173.4 0.1 1 38 . 3 LEU CA C 53.92 0.1 1 39 . 3 LEU CB C 43.40 0.1 1 40 . 3 LEU CG C 26.27 0.1 1 41 . 3 LEU CD1 C 24.80 0.1 1 42 . 3 LEU CD2 C 22.06 0.1 1 43 . 3 LEU N N 124.2 0.1 1 44 . 4 GLY H H 7.42 0.02 1 45 . 4 GLY HA2 H 4.44 0.02 1 46 . 4 GLY HA3 H 3.71 0.02 1 47 . 4 GLY C C 174.5 0.1 1 48 . 4 GLY CA C 44.14 0.1 1 49 . 4 GLY N N 102.0 0.1 1 50 . 5 LYS H H 8.81 0.02 1 51 . 5 LYS HA H 5.39 0.02 1 52 . 5 LYS HB2 H 2.16 0.02 1 53 . 5 LYS HB3 H 1.59 0.02 1 54 . 5 LYS HG2 H 1.38 0.02 1 55 . 5 LYS HG3 H 1.32 0.02 1 56 . 5 LYS HD2 H 1.22 0.02 1 57 . 5 LYS HD3 H 1.03 0.02 1 58 . 5 LYS HE2 H 2.37 0.02 1 59 . 5 LYS HE3 H 2.00 0.02 1 60 . 5 LYS C C 173.9 0.1 1 61 . 5 LYS CA C 54.77 0.1 1 62 . 5 LYS CB C 36.72 0.1 1 63 . 5 LYS CG C 23.36 0.1 1 64 . 5 LYS CD C 29.40 0.1 1 65 . 5 LYS CE C 41.16 0.1 1 66 . 5 LYS N N 115.1 0.1 1 67 . 6 LEU H H 9.12 0.02 1 68 . 6 LEU HA H 5.22 0.02 1 69 . 6 LEU HB2 H 1.97 0.02 1 70 . 6 LEU HB3 H 1.41 0.02 1 71 . 6 LEU HG H 1.80 0.02 1 72 . 6 LEU HD1 H 0.92 0.02 1 73 . 6 LEU HD2 H 0.92 0.02 1 74 . 6 LEU C C 172.6 0.1 1 75 . 6 LEU CA C 53.79 0.1 1 76 . 6 LEU CB C 47.91 0.1 1 77 . 6 LEU CG C 27.00 0.1 1 78 . 6 LEU CD1 C 24.77 0.1 1 79 . 6 LEU CD2 C 26.60 0.1 1 80 . 6 LEU N N 122.3 0.1 1 81 . 7 GLN H H 9.02 0.02 1 82 . 7 GLN HA H 5.02 0.02 1 83 . 7 GLN HB2 H 1.30 0.02 1 84 . 7 GLN HB3 H -1.14 0.02 1 85 . 7 GLN HG2 H 1.27 0.02 1 86 . 7 GLN HG3 H 0.66 0.02 1 87 . 7 GLN HE21 H 6.44 0.02 1 88 . 7 GLN HE22 H 6.25 0.02 1 89 . 7 GLN C C 173.8 0.1 1 90 . 7 GLN CA C 52.62 0.1 1 91 . 7 GLN CB C 27.98 0.1 1 92 . 7 GLN CG C 32.50 0.1 1 93 . 7 GLN CD C 177.2 0.1 1 94 . 7 GLN N N 127.9 0.1 1 95 . 7 GLN NE2 N 109.1 0.1 1 96 . 8 TYR H H 8.48 0.02 1 97 . 8 TYR HA H 5.47 0.02 1 98 . 8 TYR HB2 H 3.32 0.02 1 99 . 8 TYR HB3 H 2.71 0.02 1 100 . 8 TYR HD1 H 6.77 0.02 1 101 . 8 TYR HE1 H 6.39 0.02 1 102 . 8 TYR C C 171.6 0.1 1 103 . 8 TYR CA C 54.56 0.1 1 104 . 8 TYR CB C 42.18 0.1 1 105 . 8 TYR CD1 C 132.5 0.1 1 106 . 8 TYR CE1 C 117.7 0.1 1 107 . 8 TYR N N 125.7 0.1 1 108 . 9 SER H H 9.59 0.02 1 109 . 9 SER HA H 5.44 0.02 1 110 . 9 SER HB2 H 3.84 0.02 1 111 . 9 SER HB3 H 3.50 0.02 1 112 . 9 SER C C 173.5 0.1 1 113 . 9 SER CA C 55.31 0.1 1 114 . 9 SER CB C 67.18 0.1 1 115 . 9 SER N N 113.5 0.1 1 116 . 10 LEU H H 8.83 0.02 1 117 . 10 LEU HA H 5.51 0.02 1 118 . 10 LEU HB2 H 1.83 0.02 1 119 . 10 LEU HB3 H 1.53 0.02 1 120 . 10 LEU HG H 1.83 0.02 1 121 . 10 LEU HD1 H 1.15 0.02 1 122 . 10 LEU HD2 H 1.04 0.02 1 123 . 10 LEU C C 174.7 0.1 1 124 . 10 LEU CA C 53.44 0.1 1 125 . 10 LEU CB C 46.91 0.1 1 126 . 10 LEU CG C 26.71 0.1 1 127 . 10 LEU CD1 C 25.55 0.1 1 128 . 10 LEU CD2 C 27.20 0.1 1 129 . 10 LEU N N 120.7 0.1 1 130 . 11 ASP H H 8.69 0.02 1 131 . 11 ASP HA H 5.16 0.02 1 132 . 11 ASP HB2 H 2.83 0.02 1 133 . 11 ASP HB3 H 2.59 0.02 1 134 . 11 ASP C C 173.1 0.1 1 135 . 11 ASP CA C 52.48 0.1 1 136 . 11 ASP CB C 44.11 0.1 1 137 . 11 ASP CG C 178.1 0.1 1 138 . 11 ASP N N 119.5 0.1 1 139 . 12 TYR H H 9.00 0.02 1 140 . 12 TYR HA H 4.66 0.02 1 141 . 12 TYR HB2 H 2.14 0.02 1 142 . 12 TYR HB3 H 1.86 0.02 1 143 . 12 TYR HD1 H 5.42 0.02 1 144 . 12 TYR HE1 H 6.31 0.02 1 145 . 12 TYR C C 172.0 0.1 1 146 . 12 TYR CA C 57.87 0.1 1 147 . 12 TYR CB C 39.91 0.1 1 148 . 12 TYR CD1 C 132.1 0.1 1 149 . 12 TYR CE1 C 116.1 0.1 1 150 . 12 TYR N N 124.5 0.1 1 151 . 13 ASP H H 8.09 0.02 1 152 . 13 ASP HA H 4.61 0.02 1 153 . 13 ASP HB2 H 2.67 0.02 1 154 . 13 ASP HB3 H 2.42 0.02 1 155 . 13 ASP C C 175.7 0.1 1 156 . 13 ASP CA C 51.08 0.1 1 157 . 13 ASP CB C 40.77 0.1 1 158 . 13 ASP CG C 180.1 0.1 1 159 . 13 ASP N N 126.5 0.1 1 160 . 14 PHE H H 8.55 0.02 1 161 . 14 PHE HA H 4.22 0.02 1 162 . 14 PHE HB2 H 3.23 0.02 1 163 . 14 PHE HB3 H 2.89 0.02 1 164 . 14 PHE HD1 H 7.38 0.02 1 165 . 14 PHE HE1 H 6.75 0.02 1 166 . 14 PHE HZ H 6.66 0.02 1 167 . 14 PHE C C 176.8 0.1 1 168 . 14 PHE CA C 60.75 0.1 1 169 . 14 PHE CB C 38.82 0.1 1 170 . 14 PHE CD1 C 131.6 0.1 1 171 . 14 PHE CE1 C 131.4 0.1 1 172 . 14 PHE CZ C 129.3 0.1 1 173 . 14 PHE N N 123.7 0.1 1 174 . 15 GLN H H 8.37 0.02 1 175 . 15 GLN HA H 4.20 0.02 1 176 . 15 GLN HB2 H 2.16 0.02 1 177 . 15 GLN HB3 H 2.07 0.02 1 178 . 15 GLN HG2 H 2.33 0.02 1 179 . 15 GLN HG3 H 2.33 0.02 1 180 . 15 GLN HE21 H 7.55 0.02 1 181 . 15 GLN HE22 H 6.83 0.02 1 182 . 15 GLN C C 176.7 0.1 1 183 . 15 GLN CA C 57.94 0.1 1 184 . 15 GLN CB C 28.02 0.1 1 185 . 15 GLN CG C 33.71 0.1 1 186 . 15 GLN CD C 179.8 0.1 1 187 . 15 GLN N N 118.5 0.1 1 188 . 15 GLN NE2 N 112.3 0.1 1 189 . 16 ASN H H 7.41 0.02 1 190 . 16 ASN HA H 4.73 0.02 1 191 . 16 ASN HB2 H 2.53 0.02 1 192 . 16 ASN HB3 H 2.16 0.02 1 193 . 16 ASN HD21 H 8.64 0.02 1 194 . 16 ASN HD22 H 6.92 0.02 1 195 . 16 ASN C C 173.3 0.1 1 196 . 16 ASN CA C 52.02 0.1 1 197 . 16 ASN CB C 39.16 0.1 1 198 . 16 ASN CG C 176.6 0.1 1 199 . 16 ASN N N 113.4 0.1 1 200 . 16 ASN ND2 N 118.1 0.1 1 201 . 17 ASN H H 7.77 0.02 1 202 . 17 ASN HA H 4.35 0.02 1 203 . 17 ASN HB2 H 2.90 0.02 1 204 . 17 ASN HB3 H 2.61 0.02 1 205 . 17 ASN HD21 H 7.33 0.02 1 206 . 17 ASN HD22 H 6.84 0.02 1 207 . 17 ASN C C 172.5 0.1 1 208 . 17 ASN CA C 54.50 0.1 1 209 . 17 ASN CB C 36.75 0.1 1 210 . 17 ASN CG C 178.1 0.1 1 211 . 17 ASN N N 118.2 0.1 1 212 . 17 ASN ND2 N 113.5 0.1 1 213 . 18 GLN H H 6.84 0.02 1 214 . 18 GLN HA H 4.97 0.02 1 215 . 18 GLN HB2 H 1.70 0.02 1 216 . 18 GLN HB3 H 1.40 0.02 1 217 . 18 GLN HG2 H 2.02 0.02 1 218 . 18 GLN HG3 H 1.79 0.02 1 219 . 18 GLN HE21 H 7.24 0.02 1 220 . 18 GLN HE22 H 6.76 0.02 1 221 . 18 GLN C C 171.7 0.1 1 222 . 18 GLN CA C 52.92 0.1 1 223 . 18 GLN CB C 30.99 0.1 1 224 . 18 GLN CG C 32.18 0.1 1 225 . 18 GLN CD C 178.1 0.1 1 226 . 18 GLN N N 110.6 0.1 1 227 . 18 GLN NE2 N 109.8 0.1 1 228 . 19 LEU H H 9.13 0.02 1 229 . 19 LEU HA H 4.57 0.02 1 230 . 19 LEU HB2 H 2.24 0.02 1 231 . 19 LEU HB3 H 1.70 0.02 1 232 . 19 LEU HG H 1.68 0.02 1 233 . 19 LEU HD1 H 1.22 0.02 1 234 . 19 LEU HD2 H 0.86 0.02 1 235 . 19 LEU C C 173.8 0.1 1 236 . 19 LEU CA C 53.78 0.1 1 237 . 19 LEU CB C 44.57 0.1 1 238 . 19 LEU CG C 26.80 0.1 1 239 . 19 LEU CD1 C 23.67 0.1 1 240 . 19 LEU CD2 C 26.40 0.1 1 241 . 19 LEU N N 124.7 0.1 1 242 . 20 LEU H H 9.14 0.02 1 243 . 20 LEU HA H 4.92 0.02 1 244 . 20 LEU HB2 H 1.66 0.02 1 245 . 20 LEU HB3 H 1.28 0.02 1 246 . 20 LEU HG H 1.43 0.02 1 247 . 20 LEU HD1 H 0.74 0.02 1 248 . 20 LEU HD2 H 0.68 0.02 1 249 . 20 LEU C C 175.7 0.1 1 250 . 20 LEU CA C 53.66 0.1 1 251 . 20 LEU CB C 41.99 0.1 1 252 . 20 LEU CG C 26.77 0.1 1 253 . 20 LEU CD1 C 24.70 0.1 1 254 . 20 LEU CD2 C 24.00 0.1 1 255 . 20 LEU N N 128.7 0.1 1 256 . 21 VAL H H 9.16 0.02 1 257 . 21 VAL HA H 4.85 0.02 1 258 . 21 VAL HB H 2.16 0.02 1 259 . 21 VAL HG1 H 1.03 0.02 1 260 . 21 VAL HG2 H 1.03 0.02 1 261 . 21 VAL C C 174.0 0.1 1 262 . 21 VAL CA C 60.46 0.1 1 263 . 21 VAL CB C 33.82 0.1 1 264 . 21 VAL CG1 C 21.01 0.1 1 265 . 21 VAL CG2 C 21.01 0.1 1 266 . 21 VAL N N 125.9 0.1 1 267 . 22 GLY H H 9.58 0.02 1 268 . 22 GLY HA2 H 4.72 0.02 1 269 . 22 GLY HA3 H 3.59 0.02 1 270 . 22 GLY C C 172.5 0.1 1 271 . 22 GLY CA C 43.76 0.1 1 272 . 22 GLY N N 117.2 0.1 1 273 . 23 ILE H H 8.93 0.02 1 274 . 23 ILE HA H 4.35 0.02 1 275 . 23 ILE HB H 1.93 0.02 1 276 . 23 ILE HG12 H 1.51 0.02 1 277 . 23 ILE HG13 H 1.15 0.02 1 278 . 23 ILE HG2 H 0.57 0.02 1 279 . 23 ILE HD1 H 0.69 0.02 1 280 . 23 ILE C C 174.4 0.1 1 281 . 23 ILE CA C 58.27 0.1 1 282 . 23 ILE CB C 35.28 0.1 1 283 . 23 ILE CG1 C 26.24 0.1 1 284 . 23 ILE CG2 C 17.86 0.1 1 285 . 23 ILE CD1 C 10.91 0.1 1 286 . 23 ILE N N 125.3 0.1 1 287 . 24 ILE H H 8.44 0.02 1 288 . 24 ILE HA H 3.95 0.02 1 289 . 24 ILE HB H 1.48 0.02 1 290 . 24 ILE HG12 H 1.30 0.02 1 291 . 24 ILE HG13 H 0.94 0.02 1 292 . 24 ILE HG2 H 0.77 0.02 1 293 . 24 ILE HD1 H 0.44 0.02 1 294 . 24 ILE C C 177.2 0.1 1 295 . 24 ILE CA C 64.91 0.1 1 296 . 24 ILE CB C 37.66 0.1 1 297 . 24 ILE CG1 C 27.12 0.1 1 298 . 24 ILE CG2 C 17.40 0.1 1 299 . 24 ILE CD1 C 12.29 0.1 1 300 . 24 ILE N N 126.7 0.1 1 301 . 25 GLN H H 7.77 0.02 1 302 . 25 GLN HA H 5.19 0.02 1 303 . 25 GLN HB2 H 1.82 0.02 1 304 . 25 GLN HB3 H 1.82 0.02 1 305 . 25 GLN HG2 H 2.13 0.02 1 306 . 25 GLN HG3 H 1.86 0.02 1 307 . 25 GLN HE21 H 7.55 0.02 1 308 . 25 GLN HE22 H 6.97 0.02 1 309 . 25 GLN C C 171.2 0.1 1 310 . 25 GLN CA C 54.28 0.1 1 311 . 25 GLN CB C 30.92 0.1 1 312 . 25 GLN CG C 31.57 0.1 1 313 . 25 GLN CD C 179.1 0.1 1 314 . 25 GLN N N 110.8 0.1 1 315 . 25 GLN NE2 N 113.5 0.1 1 316 . 26 ALA H H 9.25 0.02 1 317 . 26 ALA HA H 5.79 0.02 1 318 . 26 ALA HB H 1.60 0.02 1 319 . 26 ALA C C 174.3 0.1 1 320 . 26 ALA CA C 49.96 0.1 1 321 . 26 ALA CB C 22.38 0.1 1 322 . 26 ALA N N 121.4 0.1 1 323 . 27 ALA H H 9.17 0.02 1 324 . 27 ALA HA H 5.35 0.02 1 325 . 27 ALA HB H 1.33 0.02 1 326 . 27 ALA C C 175.0 0.1 1 327 . 27 ALA CA C 50.59 0.1 1 328 . 27 ALA CB C 23.87 0.1 1 329 . 27 ALA N N 120.1 0.1 1 330 . 28 GLU H H 8.55 0.02 1 331 . 28 GLU HA H 3.73 0.02 1 332 . 28 GLU HB2 H 2.07 0.02 1 333 . 28 GLU HB3 H 2.07 0.02 1 334 . 28 GLU HG2 H 2.17 0.02 1 335 . 28 GLU HG3 H 2.07 0.02 1 336 . 28 GLU C C 174.5 0.1 1 337 . 28 GLU CA C 55.96 0.1 1 338 . 28 GLU CB C 25.77 0.1 1 339 . 28 GLU CG C 36.07 0.1 1 340 . 28 GLU CD C 183.4 0.1 1 341 . 28 GLU N N 112.8 0.1 1 342 . 29 LEU H H 7.99 0.02 1 343 . 29 LEU HA H 4.32 0.02 1 344 . 29 LEU HB2 H 1.71 0.02 1 345 . 29 LEU HB3 H 1.30 0.02 1 346 . 29 LEU HG H 1.71 0.02 1 347 . 29 LEU HD1 H 0.98 0.02 1 348 . 29 LEU HD2 H 0.74 0.02 1 349 . 29 LEU C C 173.8 0.1 1 350 . 29 LEU CA C 53.24 0.1 1 351 . 29 LEU CB C 39.64 0.1 1 352 . 29 LEU CG C 26.40 0.1 1 353 . 29 LEU CD1 C 22.20 0.1 1 354 . 29 LEU CD2 C 26.40 0.1 1 355 . 29 LEU N N 116.0 0.1 1 356 . 30 PRO HA H 4.36 0.02 1 357 . 30 PRO HB2 H 2.20 0.02 1 358 . 30 PRO HB3 H 1.64 0.02 1 359 . 30 PRO HG2 H 1.98 0.02 1 360 . 30 PRO HG3 H 1.93 0.02 1 361 . 30 PRO HD2 H 3.64 0.02 1 362 . 30 PRO HD3 H 3.34 0.02 1 363 . 30 PRO C C 175.5 0.1 1 364 . 30 PRO CA C 61.66 0.1 1 365 . 30 PRO CB C 31.38 0.1 1 366 . 30 PRO CG C 27.34 0.1 1 367 . 30 PRO CD C 49.34 0.1 1 368 . 31 ALA H H 8.18 0.02 1 369 . 31 ALA HA H 4.11 0.02 1 370 . 31 ALA HB H 1.17 0.02 1 371 . 31 ALA C C 177.2 0.1 1 372 . 31 ALA CA C 50.56 0.1 1 373 . 31 ALA CB C 18.18 0.1 1 374 . 31 ALA N N 122.6 0.1 1 375 . 32 LEU H H 8.03 0.02 1 376 . 32 LEU HA H 4.32 0.02 1 377 . 32 LEU HB2 H 1.51 0.02 1 378 . 32 LEU HB3 H 1.51 0.02 1 379 . 32 LEU HG H 1.48 0.02 1 380 . 32 LEU HD1 H 0.79 0.02 1 381 . 32 LEU HD2 H 0.75 0.02 1 382 . 32 LEU C C 176.9 0.1 1 383 . 32 LEU CA C 55.04 0.1 1 384 . 32 LEU CB C 42.43 0.1 1 385 . 32 LEU CG C 27.28 0.1 1 386 . 32 LEU CD1 C 25.00 0.1 1 387 . 32 LEU CD2 C 22.74 0.1 1 388 . 32 LEU N N 124.6 0.1 1 389 . 33 ASP H H 8.53 0.02 1 390 . 33 ASP HA H 4.85 0.02 1 391 . 33 ASP HB2 H 2.75 0.02 1 392 . 33 ASP HB3 H 2.70 0.02 1 393 . 33 ASP C C 176.2 0.1 1 394 . 33 ASP CA C 52.68 0.1 1 395 . 33 ASP CB C 41.53 0.1 1 396 . 33 ASP CG C 179.3 0.1 1 397 . 33 ASP N N 118.9 0.1 1 398 . 34 MET H H 8.51 0.02 1 399 . 34 MET HA H 4.25 0.02 1 400 . 34 MET HB2 H 2.04 0.02 1 401 . 34 MET HB3 H 2.04 0.02 1 402 . 34 MET HG2 H 2.60 0.02 1 403 . 34 MET HG3 H 2.55 0.02 1 404 . 34 MET C C 176.5 0.1 1 405 . 34 MET CA C 56.64 0.1 1 406 . 34 MET CB C 31.39 0.1 1 407 . 34 MET CG C 31.49 0.1 1 408 . 34 MET N N 120.2 0.1 1 409 . 35 GLY H H 8.75 0.02 1 410 . 35 GLY HA2 H 4.06 0.02 1 411 . 35 GLY HA3 H 3.87 0.02 1 412 . 35 GLY C C 174.9 0.1 1 413 . 35 GLY CA C 44.82 0.1 1 414 . 35 GLY N N 110.5 0.1 1 415 . 36 GLY H H 8.12 0.02 1 416 . 36 GLY HA2 H 4.03 0.02 1 417 . 36 GLY HA3 H 3.86 0.02 1 418 . 36 GLY C C 173.3 0.1 1 419 . 36 GLY CA C 45.41 0.1 1 420 . 36 GLY N N 107.5 0.1 1 421 . 37 THR H H 7.44 0.02 1 422 . 37 THR HA H 4.53 0.02 1 423 . 37 THR HB H 4.01 0.02 1 424 . 37 THR HG2 H 1.03 0.02 1 425 . 37 THR C C 171.3 0.1 1 426 . 37 THR CA C 59.89 0.1 1 427 . 37 THR CB C 70.51 0.1 1 428 . 37 THR CG2 C 20.50 0.1 1 429 . 37 THR N N 111.1 0.1 1 430 . 38 SER H H 7.46 0.02 1 431 . 38 SER HA H 4.90 0.02 1 432 . 38 SER HB2 H 3.82 0.02 1 433 . 38 SER HB3 H 3.52 0.02 1 434 . 38 SER C C 170.3 0.1 1 435 . 38 SER CA C 57.66 0.1 1 436 . 38 SER CB C 66.52 0.1 1 437 . 38 SER N N 115.8 0.1 1 438 . 39 ASP H H 8.59 0.02 1 439 . 39 ASP HA H 5.94 0.02 1 440 . 39 ASP HB2 H 3.14 0.02 1 441 . 39 ASP HB3 H 2.57 0.02 1 442 . 39 ASP C C 172.5 0.1 1 443 . 39 ASP CA C 51.17 0.1 1 444 . 39 ASP CB C 42.21 0.1 1 445 . 39 ASP CG C 180.7 0.1 1 446 . 39 ASP N N 121.2 0.1 1 447 . 40 PRO HA H 5.84 0.02 1 448 . 40 PRO HB2 H 2.05 0.02 1 449 . 40 PRO HB3 H 1.72 0.02 1 450 . 40 PRO HG2 H 1.94 0.02 1 451 . 40 PRO HG3 H 1.71 0.02 1 452 . 40 PRO HD2 H 4.24 0.02 1 453 . 40 PRO HD3 H 3.64 0.02 1 454 . 40 PRO C C 176.4 0.1 1 455 . 40 PRO CA C 62.41 0.1 1 456 . 40 PRO CB C 34.43 0.1 1 457 . 40 PRO CG C 27.89 0.1 1 458 . 40 PRO CD C 51.13 0.1 1 459 . 41 TYR H H 8.84 0.02 1 460 . 41 TYR HA H 4.84 0.02 1 461 . 41 TYR HB2 H 3.13 0.02 1 462 . 41 TYR HB3 H 3.13 0.02 1 463 . 41 TYR HD1 H 6.98 0.02 1 464 . 41 TYR HE1 H 6.38 0.02 1 465 . 41 TYR C C 171.5 0.1 1 466 . 41 TYR CA C 56.16 0.1 1 467 . 41 TYR CB C 40.48 0.1 1 468 . 41 TYR CD1 C 132.7 0.1 1 469 . 41 TYR CE1 C 117.7 0.1 1 470 . 41 TYR N N 113.9 0.1 1 471 . 42 VAL H H 8.40 0.02 1 472 . 42 VAL HA H 5.06 0.02 1 473 . 42 VAL HB H 1.50 0.02 1 474 . 42 VAL HG1 H 0.66 0.02 1 475 . 42 VAL HG2 H 0.27 0.02 1 476 . 42 VAL C C 174.5 0.1 1 477 . 42 VAL CA C 60.02 0.1 1 478 . 42 VAL CB C 34.00 0.1 1 479 . 42 VAL CG1 C 20.88 0.1 1 480 . 42 VAL CG2 C 22.62 0.1 1 481 . 42 VAL N N 120.0 0.1 1 482 . 43 LYS H H 9.47 0.02 1 483 . 43 LYS HA H 5.41 0.02 1 484 . 43 LYS HB2 H 1.77 0.02 1 485 . 43 LYS HB3 H 1.77 0.02 1 486 . 43 LYS HG2 H 1.40 0.02 1 487 . 43 LYS HG3 H 1.34 0.02 1 488 . 43 LYS HD2 H 1.51 0.02 1 489 . 43 LYS HD3 H 1.41 0.02 1 490 . 43 LYS HE2 H 2.57 0.02 1 491 . 43 LYS HE3 H 2.02 0.02 1 492 . 43 LYS C C 174.5 0.1 1 493 . 43 LYS CA C 54.54 0.1 1 494 . 43 LYS CB C 36.10 0.1 1 495 . 43 LYS CG C 25.30 0.1 1 496 . 43 LYS CD C 29.91 0.1 1 497 . 43 LYS CE C 41.19 0.1 1 498 . 43 LYS N N 125.9 0.1 1 499 . 44 VAL H H 8.90 0.02 1 500 . 44 VAL HA H 5.33 0.02 1 501 . 44 VAL HB H 1.75 0.02 1 502 . 44 VAL HG1 H 0.95 0.02 1 503 . 44 VAL HG2 H 0.85 0.02 1 504 . 44 VAL C C 174.0 0.1 1 505 . 44 VAL CA C 59.31 0.1 1 506 . 44 VAL CB C 34.82 0.1 1 507 . 44 VAL CG1 C 21.36 0.1 1 508 . 44 VAL CG2 C 21.76 0.1 1 509 . 44 VAL N N 121.6 0.1 1 510 . 45 PHE H H 8.34 0.02 1 511 . 45 PHE HA H 5.06 0.02 1 512 . 45 PHE HB2 H 3.42 0.02 1 513 . 45 PHE HB3 H 2.98 0.02 1 514 . 45 PHE HD1 H 6.78 0.02 1 515 . 45 PHE HE1 H 7.14 0.02 1 516 . 45 PHE HZ H 7.27 0.02 1 517 . 45 PHE C C 171.2 0.1 1 518 . 45 PHE CA C 55.73 0.1 1 519 . 45 PHE CB C 39.88 0.1 1 520 . 45 PHE CD1 C 131.6 0.1 1 521 . 45 PHE CE1 C 130.2 0.1 1 522 . 45 PHE CZ C 130.1 0.1 1 523 . 45 PHE N N 120.2 0.1 1 524 . 46 LEU H H 9.22 0.02 1 525 . 46 LEU HA H 4.90 0.02 1 526 . 46 LEU HB2 H 1.33 0.02 1 527 . 46 LEU HB3 H 0.98 0.02 1 528 . 46 LEU HG H 0.93 0.02 1 529 . 46 LEU HD1 H 0.40 0.02 1 530 . 46 LEU HD2 H 0.40 0.02 1 531 . 46 LEU C C 176.2 0.1 1 532 . 46 LEU CA C 52.40 0.1 1 533 . 46 LEU CB C 43.29 0.1 1 534 . 46 LEU CG C 25.69 0.1 1 535 . 46 LEU CD1 C 24.67 0.1 1 536 . 46 LEU CD2 C 24.67 0.1 1 537 . 46 LEU N N 121.4 0.1 1 538 . 47 LEU H H 9.04 0.02 1 539 . 47 LEU HA H 4.26 0.02 1 540 . 47 LEU HB2 H 1.68 0.02 1 541 . 47 LEU HB3 H 1.50 0.02 1 542 . 47 LEU HG H 1.70 0.02 1 543 . 47 LEU HD1 H 0.98 0.02 1 544 . 47 LEU HD2 H 0.79 0.02 1 545 . 47 LEU C C 175.8 0.1 1 546 . 47 LEU CA C 52.86 0.1 1 547 . 47 LEU CB C 41.01 0.1 1 548 . 47 LEU CG C 26.00 0.1 1 549 . 47 LEU CD1 C 22.20 0.1 1 550 . 47 LEU CD2 C 24.80 0.1 1 551 . 47 LEU N N 123.6 0.1 1 552 . 48 PRO HA H 4.43 0.02 1 553 . 48 PRO HB2 H 1.86 0.02 1 554 . 48 PRO HB3 H 1.86 0.02 1 555 . 48 PRO HG2 H 1.95 0.02 1 556 . 48 PRO HG3 H 1.80 0.02 1 557 . 48 PRO HD2 H 3.67 0.02 1 558 . 48 PRO HD3 H 3.50 0.02 1 559 . 48 PRO C C 176.3 0.1 1 560 . 48 PRO CA C 63.20 0.1 1 561 . 48 PRO CB C 33.92 0.1 1 562 . 48 PRO CG C 24.17 0.1 1 563 . 48 PRO CD C 50.23 0.1 1 564 . 49 ASP H H 8.53 0.02 1 565 . 49 ASP HA H 4.56 0.02 1 566 . 49 ASP HB2 H 2.89 0.02 1 567 . 49 ASP HB3 H 2.69 0.02 1 568 . 49 ASP C C 175.4 0.1 1 569 . 49 ASP CA C 54.88 0.1 1 570 . 49 ASP CB C 40.08 0.1 1 571 . 49 ASP CG C 179.8 0.1 1 572 . 49 ASP N N 123.0 0.1 1 573 . 50 LYS H H 8.45 0.02 1 574 . 50 LYS HA H 4.00 0.02 1 575 . 50 LYS HB2 H 1.62 0.02 1 576 . 50 LYS HB3 H 1.62 0.02 1 577 . 50 LYS HG2 H 1.23 0.02 1 578 . 50 LYS HG3 H 1.16 0.02 1 579 . 50 LYS HD2 H 1.48 0.02 1 580 . 50 LYS HD3 H 1.48 0.02 1 581 . 50 LYS HE2 H 2.77 0.02 1 582 . 50 LYS HE3 H 2.77 0.02 1 583 . 50 LYS C C 175.8 0.1 1 584 . 50 LYS CA C 56.82 0.1 1 585 . 50 LYS CB C 31.87 0.1 1 586 . 50 LYS CG C 24.81 0.1 1 587 . 50 LYS CD C 29.10 0.1 1 588 . 50 LYS CE C 41.40 0.1 1 589 . 50 LYS N N 119.9 0.1 1 590 . 51 LYS H H 8.18 0.02 1 591 . 51 LYS HA H 4.03 0.02 1 592 . 51 LYS HB2 H 1.84 0.02 1 593 . 51 LYS HB3 H 1.84 0.02 1 594 . 51 LYS HG2 H 1.45 0.02 1 595 . 51 LYS HG3 H 1.36 0.02 1 596 . 51 LYS HD2 H 1.67 0.02 1 597 . 51 LYS HD3 H 1.67 0.02 1 598 . 51 LYS HE2 H 2.98 0.02 1 599 . 51 LYS HE3 H 2.98 0.02 1 600 . 51 LYS C C 176.7 0.1 1 601 . 51 LYS CA C 57.48 0.1 1 602 . 51 LYS CB C 32.23 0.1 1 603 . 51 LYS CG C 24.79 0.1 1 604 . 51 LYS CD C 28.60 0.1 1 605 . 51 LYS CE C 42.40 0.1 1 606 . 51 LYS N N 118.1 0.1 1 607 . 52 LYS H H 7.58 0.02 1 608 . 52 LYS HA H 4.28 0.02 1 609 . 52 LYS HB2 H 1.72 0.02 1 610 . 52 LYS HB3 H 1.72 0.02 1 611 . 52 LYS HG2 H 1.25 0.02 1 612 . 52 LYS HG3 H 1.16 0.02 1 613 . 52 LYS HD2 H 1.63 0.02 1 614 . 52 LYS HD3 H 1.63 0.02 1 615 . 52 LYS HE2 H 2.93 0.02 1 616 . 52 LYS HE3 H 2.83 0.02 1 617 . 52 LYS C C 173.5 0.1 1 618 . 52 LYS CA C 54.73 0.1 1 619 . 52 LYS CB C 31.86 0.1 1 620 . 52 LYS CG C 23.98 0.1 1 621 . 52 LYS CD C 28.39 0.1 1 622 . 52 LYS CE C 41.76 0.1 1 623 . 52 LYS N N 120.2 0.1 1 624 . 53 LYS H H 7.85 0.02 1 625 . 53 LYS HA H 5.05 0.02 1 626 . 53 LYS HB2 H 1.52 0.02 1 627 . 53 LYS HB3 H 1.52 0.02 1 628 . 53 LYS HG2 H 1.11 0.02 1 629 . 53 LYS HG3 H 0.99 0.02 1 630 . 53 LYS HD2 H 1.33 0.02 1 631 . 53 LYS HD3 H 1.26 0.02 1 632 . 53 LYS HE2 H 2.50 0.02 1 633 . 53 LYS HE3 H 2.50 0.02 1 634 . 53 LYS C C 174.4 0.1 1 635 . 53 LYS CA C 53.67 0.1 1 636 . 53 LYS CB C 34.54 0.1 1 637 . 53 LYS CG C 23.29 0.1 1 638 . 53 LYS CD C 28.90 0.1 1 639 . 53 LYS CE C 41.22 0.1 1 640 . 53 LYS N N 123.0 0.1 1 641 . 54 PHE H H 8.55 0.02 1 642 . 54 PHE HA H 4.68 0.02 1 643 . 54 PHE HB2 H 2.01 0.02 1 644 . 54 PHE HB3 H 1.59 0.02 1 645 . 54 PHE HD1 H 6.86 0.02 1 646 . 54 PHE HE1 H 6.66 0.02 1 647 . 54 PHE HZ H 7.18 0.02 1 648 . 54 PHE C C 173.8 0.1 1 649 . 54 PHE CA C 56.05 0.1 1 650 . 54 PHE CB C 42.05 0.1 1 651 . 54 PHE CD1 C 131.6 0.1 1 652 . 54 PHE CE1 C 131.0 0.1 1 653 . 54 PHE CZ C 129.1 0.1 1 654 . 54 PHE N N 120.3 0.1 1 655 . 55 GLU H H 8.33 0.02 1 656 . 55 GLU HA H 5.72 0.02 1 657 . 55 GLU HB2 H 2.10 0.02 1 658 . 55 GLU HB3 H 1.90 0.02 1 659 . 55 GLU HG2 H 2.19 0.02 1 660 . 55 GLU HG3 H 2.19 0.02 1 661 . 55 GLU C C 176.6 0.1 1 662 . 55 GLU CA C 53.49 0.1 1 663 . 55 GLU CB C 33.01 0.1 1 664 . 55 GLU CG C 35.45 0.1 1 665 . 55 GLU CD C 182.4 0.1 1 666 . 55 GLU N N 117.7 0.1 1 667 . 56 THR H H 8.88 0.02 1 668 . 56 THR HA H 4.90 0.02 1 669 . 56 THR HB H 5.01 0.02 1 670 . 56 THR HG2 H 1.01 0.02 1 671 . 56 THR C C 174.5 0.1 1 672 . 56 THR CA C 60.99 0.1 1 673 . 56 THR CB C 71.94 0.1 1 674 . 56 THR CG2 C 19.83 0.1 1 675 . 56 THR N N 111.7 0.1 1 676 . 57 LYS H H 9.84 0.02 1 677 . 57 LYS HA H 4.24 0.02 1 678 . 57 LYS HB2 H 1.79 0.02 1 679 . 57 LYS HB3 H 1.79 0.02 1 680 . 57 LYS HG2 H 1.66 0.02 1 681 . 57 LYS HG3 H 1.66 0.02 1 682 . 57 LYS HD2 H 1.72 0.02 1 683 . 57 LYS HD3 H 1.72 0.02 1 684 . 57 LYS HE2 H 3.02 0.02 1 685 . 57 LYS HE3 H 3.02 0.02 1 686 . 57 LYS C C 177.6 0.1 1 687 . 57 LYS CA C 56.76 0.1 1 688 . 57 LYS CB C 32.66 0.1 1 689 . 57 LYS CG C 24.87 0.1 1 690 . 57 LYS CD C 28.47 0.1 1 691 . 57 LYS N N 119.6 0.1 1 692 . 58 VAL H H 8.29 0.02 1 693 . 58 VAL HA H 4.32 0.02 1 694 . 58 VAL HB H 1.57 0.02 1 695 . 58 VAL HG1 H 0.59 0.02 1 696 . 58 VAL HG2 H 0.36 0.02 1 697 . 58 VAL C C 176.9 0.1 1 698 . 58 VAL CA C 61.95 0.1 1 699 . 58 VAL CB C 31.97 0.1 1 700 . 58 VAL CG1 C 20.72 0.1 1 701 . 58 VAL CG2 C 21.06 0.1 1 702 . 58 VAL N N 123.3 0.1 1 703 . 59 HIS H H 8.63 0.02 1 704 . 59 HIS HA H 4.58 0.02 1 705 . 59 HIS HB2 H 2.93 0.02 1 706 . 59 HIS HB3 H 2.69 0.02 1 707 . 59 HIS HD2 H 7.47 0.02 1 708 . 59 HIS HE1 H 8.47 0.02 1 709 . 59 HIS C C 172.1 0.1 1 710 . 59 HIS CA C 54.27 0.1 1 711 . 59 HIS CB C 29.56 0.1 1 712 . 59 HIS CD2 C 118.0 0.1 1 713 . 59 HIS CE1 C 136.7 0.1 1 714 . 59 HIS N N 128.6 0.1 1 715 . 60 ARG H H 8.23 0.02 1 716 . 60 ARG HA H 4.43 0.02 1 717 . 60 ARG HB2 H 1.70 0.02 1 718 . 60 ARG HB3 H 1.70 0.02 1 719 . 60 ARG HG2 H 1.66 0.02 1 720 . 60 ARG HG3 H 1.44 0.02 1 721 . 60 ARG HD2 H 3.08 0.02 1 722 . 60 ARG HD3 H 3.08 0.02 1 723 . 60 ARG C C 176.2 0.1 1 724 . 60 ARG CA C 55.53 0.1 1 725 . 60 ARG CB C 30.68 0.1 1 726 . 60 ARG CG C 27.36 0.1 1 727 . 60 ARG CD C 42.69 0.1 1 728 . 60 ARG N N 118.9 0.1 1 729 . 61 LYS H H 9.54 0.02 1 730 . 61 LYS HA H 3.99 0.02 1 731 . 61 LYS HB2 H 1.91 0.02 1 732 . 61 LYS HB3 H 1.79 0.02 1 733 . 61 LYS HG2 H 1.35 0.02 1 734 . 61 LYS HG3 H 1.35 0.02 1 735 . 61 LYS HD2 H 1.67 0.02 1 736 . 61 LYS HD3 H 1.67 0.02 1 737 . 61 LYS HE2 H 3.02 0.02 1 738 . 61 LYS HE3 H 3.02 0.02 1 739 . 61 LYS C C 175.1 0.1 1 740 . 61 LYS CA C 56.02 0.1 1 741 . 61 LYS CB C 29.57 0.1 1 742 . 61 LYS CG C 24.89 0.1 1 743 . 61 LYS CD C 29.55 0.1 1 744 . 61 LYS N N 122.2 0.1 1 745 . 62 THR H H 8.50 0.02 1 746 . 62 THR HA H 4.72 0.02 1 747 . 62 THR HB H 4.15 0.02 1 748 . 62 THR HG2 H 0.88 0.02 1 749 . 62 THR C C 170.2 0.1 1 750 . 62 THR CA C 59.77 0.1 1 751 . 62 THR CB C 68.76 0.1 1 752 . 62 THR CG2 C 19.90 0.1 1 753 . 62 THR N N 113.3 0.1 1 754 . 63 LEU H H 8.29 0.02 1 755 . 63 LEU HA H 4.51 0.02 1 756 . 63 LEU HB2 H 2.01 0.02 1 757 . 63 LEU HB3 H 1.50 0.02 1 758 . 63 LEU HG H 1.61 0.02 1 759 . 63 LEU HD1 H 0.93 0.02 1 760 . 63 LEU HD2 H 0.62 0.02 1 761 . 63 LEU C C 175.2 0.1 1 762 . 63 LEU CA C 52.95 0.1 1 763 . 63 LEU CB C 40.25 0.1 1 764 . 63 LEU CG C 26.46 0.1 1 765 . 63 LEU CD1 C 24.24 0.1 1 766 . 63 LEU CD2 C 21.46 0.1 1 767 . 63 LEU N N 123.3 0.1 1 768 . 64 ASN H H 8.37 0.02 1 769 . 64 ASN HA H 5.45 0.02 1 770 . 64 ASN HB2 H 2.75 0.02 1 771 . 64 ASN HB3 H 2.60 0.02 1 772 . 64 ASN HD21 H 7.60 0.02 1 773 . 64 ASN HD22 H 7.20 0.02 1 774 . 64 ASN C C 171.3 0.1 1 775 . 64 ASN CA C 50.58 0.1 1 776 . 64 ASN CB C 40.55 0.1 1 777 . 64 ASN CG C 178.5 0.1 1 778 . 64 ASN N N 114.9 0.1 1 779 . 64 ASN ND2 N 116.8 0.1 1 780 . 65 PRO HA H 3.97 0.02 1 781 . 65 PRO HB2 H 1.99 0.02 1 782 . 65 PRO HB3 H 1.51 0.02 1 783 . 65 PRO HG2 H 1.94 0.02 1 784 . 65 PRO HG3 H 1.43 0.02 1 785 . 65 PRO HD2 H 3.34 0.02 1 786 . 65 PRO HD3 H 3.34 0.02 1 787 . 65 PRO C C 173.9 0.1 1 788 . 65 PRO CA C 61.89 0.1 1 789 . 65 PRO CB C 30.78 0.1 1 790 . 65 PRO CG C 28.63 0.1 1 791 . 65 PRO CD C 49.09 0.1 1 792 . 66 VAL H H 7.84 0.02 1 793 . 66 VAL HA H 3.84 0.02 1 794 . 66 VAL HB H 1.88 0.02 1 795 . 66 VAL HG1 H 0.90 0.02 1 796 . 66 VAL HG2 H 0.80 0.02 1 797 . 66 VAL C C 175.2 0.1 1 798 . 66 VAL CA C 61.70 0.1 1 799 . 66 VAL CB C 31.50 0.1 1 800 . 66 VAL CG1 C 20.09 0.1 1 801 . 66 VAL CG2 C 20.84 0.1 1 802 . 66 VAL N N 121.1 0.1 1 803 . 67 PHE H H 8.27 0.02 1 804 . 67 PHE HA H 4.37 0.02 1 805 . 67 PHE HB2 H 3.02 0.02 1 806 . 67 PHE HB3 H 2.74 0.02 1 807 . 67 PHE HD1 H 6.92 0.02 1 808 . 67 PHE HE1 H 7.22 0.02 1 809 . 67 PHE HZ H 6.71 0.02 1 810 . 67 PHE C C 175.7 0.1 1 811 . 67 PHE CA C 59.29 0.1 1 812 . 67 PHE CB C 39.87 0.1 1 813 . 67 PHE CD1 C 131.4 0.1 1 814 . 67 PHE CE1 C 131.2 0.1 1 815 . 67 PHE CZ C 128.4 0.1 1 816 . 67 PHE N N 123.7 0.1 1 817 . 68 ASN H H 8.94 0.02 1 818 . 68 ASN HA H 4.39 0.02 1 819 . 68 ASN HB2 H 3.00 0.02 1 820 . 68 ASN HB3 H 2.67 0.02 1 821 . 68 ASN HD21 H 7.50 0.02 1 822 . 68 ASN HD22 H 6.57 0.02 1 823 . 68 ASN C C 173.3 0.1 1 824 . 68 ASN CA C 53.91 0.1 1 825 . 68 ASN CB C 37.26 0.1 1 826 . 68 ASN CG C 177.1 0.1 1 827 . 68 ASN N N 117.7 0.1 1 828 . 68 ASN ND2 N 111.6 0.1 1 829 . 69 GLU H H 7.99 0.02 1 830 . 69 GLU HA H 4.64 0.02 1 831 . 69 GLU HB2 H 1.60 0.02 1 832 . 69 GLU HB3 H 1.60 0.02 1 833 . 69 GLU HG2 H 2.31 0.02 1 834 . 69 GLU HG3 H 2.16 0.02 1 835 . 69 GLU C C 174.1 0.1 1 836 . 69 GLU CA C 55.78 0.1 1 837 . 69 GLU CB C 34.47 0.1 1 838 . 69 GLU CG C 37.55 0.1 1 839 . 69 GLU CD C 181.9 0.1 1 840 . 69 GLU N N 116.0 0.1 1 841 . 70 GLN H H 8.20 0.02 1 842 . 70 GLN HA H 5.06 0.02 1 843 . 70 GLN HB2 H 1.72 0.02 1 844 . 70 GLN HB3 H 1.64 0.02 1 845 . 70 GLN HG2 H 1.87 0.02 1 846 . 70 GLN HG3 H 1.87 0.02 1 847 . 70 GLN HE21 H 7.27 0.02 1 848 . 70 GLN HE22 H 6.64 0.02 1 849 . 70 GLN C C 173.1 0.1 1 850 . 70 GLN CA C 53.77 0.1 1 851 . 70 GLN CB C 31.72 0.1 1 852 . 70 GLN CG C 33.99 0.1 1 853 . 70 GLN CD C 179.5 0.1 1 854 . 70 GLN N N 121.4 0.1 1 855 . 70 GLN NE2 N 111.8 0.1 1 856 . 71 PHE H H 9.10 0.02 1 857 . 71 PHE HA H 4.56 0.02 1 858 . 71 PHE HB2 H 2.03 0.02 1 859 . 71 PHE HB3 H 2.03 0.02 1 860 . 71 PHE HD1 H 6.66 0.02 1 861 . 71 PHE HE1 H 6.96 0.02 1 862 . 71 PHE HZ H 6.84 0.02 1 863 . 71 PHE C C 173.6 0.1 1 864 . 71 PHE CA C 55.23 0.1 1 865 . 71 PHE CB C 42.10 0.1 1 866 . 71 PHE CD1 C 131.5 0.1 1 867 . 71 PHE CE1 C 129.4 0.1 1 868 . 71 PHE CZ C 129.4 0.1 1 869 . 71 PHE N N 124.2 0.1 1 870 . 72 THR H H 7.80 0.02 1 871 . 72 THR HA H 5.26 0.02 1 872 . 72 THR HB H 3.70 0.02 1 873 . 72 THR HG2 H 0.86 0.02 1 874 . 72 THR C C 172.9 0.1 1 875 . 72 THR CA C 59.52 0.1 1 876 . 72 THR CB C 70.71 0.1 1 877 . 72 THR CG2 C 21.44 0.1 1 878 . 72 THR N N 114.1 0.1 1 879 . 73 PHE H H 9.08 0.02 1 880 . 73 PHE HA H 4.83 0.02 1 881 . 73 PHE HB2 H 2.99 0.02 1 882 . 73 PHE HB3 H 2.90 0.02 1 883 . 73 PHE HD1 H 7.25 0.02 1 884 . 73 PHE HE1 H 7.18 0.02 1 885 . 73 PHE HZ H 7.11 0.02 1 886 . 73 PHE C C 175.0 0.1 1 887 . 73 PHE CA C 56.05 0.1 1 888 . 73 PHE CB C 41.57 0.1 1 889 . 73 PHE CD1 C 132.0 0.1 1 890 . 73 PHE CE1 C 131.2 0.1 1 891 . 73 PHE CZ C 128.4 0.1 1 892 . 73 PHE N N 121.1 0.1 1 893 . 74 LYS H H 9.11 0.02 1 894 . 74 LYS HA H 4.54 0.02 1 895 . 74 LYS HB2 H 1.98 0.02 1 896 . 74 LYS HB3 H 1.82 0.02 1 897 . 74 LYS HG2 H 1.44 0.02 1 898 . 74 LYS HG3 H 1.44 0.02 1 899 . 74 LYS HD2 H 1.70 0.02 1 900 . 74 LYS HD3 H 1.70 0.02 1 901 . 74 LYS HE2 H 2.98 0.02 1 902 . 74 LYS HE3 H 2.98 0.02 1 903 . 74 LYS C C 174.6 0.1 1 904 . 74 LYS CA C 56.16 0.1 1 905 . 74 LYS CB C 30.49 0.1 1 906 . 74 LYS CG C 24.37 0.1 1 907 . 74 LYS CD C 28.76 0.1 1 908 . 74 LYS CE C 42.40 0.1 1 909 . 74 LYS N N 127.7 0.1 1 910 . 75 VAL H H 7.62 0.02 1 911 . 75 VAL HA H 4.70 0.02 1 912 . 75 VAL HB H 2.04 0.02 1 913 . 75 VAL HG1 H 0.89 0.02 1 914 . 75 VAL HG2 H 0.89 0.02 1 915 . 75 VAL C C 171.4 0.1 1 916 . 75 VAL CA C 57.73 0.1 1 917 . 75 VAL CB C 35.16 0.1 1 918 . 75 VAL CG1 C 20.20 0.1 1 919 . 75 VAL CG2 C 19.70 0.1 1 920 . 75 VAL N N 126.6 0.1 1 921 . 76 PRO HA H 4.36 0.02 1 922 . 76 PRO HB2 H 2.45 0.02 1 923 . 76 PRO HB3 H 1.77 0.02 1 924 . 76 PRO HG2 H 2.03 0.02 1 925 . 76 PRO HG3 H 1.97 0.02 1 926 . 76 PRO HD2 H 3.86 0.02 1 927 . 76 PRO HD3 H 3.55 0.02 1 928 . 76 PRO C C 177.0 0.1 1 929 . 76 PRO CA C 62.53 0.1 1 930 . 76 PRO CB C 32.13 0.1 1 931 . 76 PRO CG C 27.36 0.1 1 932 . 76 PRO CD C 51.66 0.1 1 933 . 77 TYR H H 8.65 0.02 1 934 . 77 TYR HA H 3.43 0.02 1 935 . 77 TYR HB2 H 2.85 0.02 1 936 . 77 TYR HB3 H 2.78 0.02 1 937 . 77 TYR HD1 H 6.19 0.02 1 938 . 77 TYR HE1 H 6.52 0.02 1 939 . 77 TYR C C 177.5 0.1 1 940 . 77 TYR CA C 61.74 0.1 1 941 . 77 TYR CB C 37.83 0.1 1 942 . 77 TYR CD1 C 133.4 0.1 1 943 . 77 TYR CE1 C 117.4 0.1 1 944 . 77 TYR N N 128.5 0.1 1 945 . 78 SER H H 8.54 0.02 1 946 . 78 SER HA H 3.97 0.02 1 947 . 78 SER HB2 H 3.89 0.02 1 948 . 78 SER HB3 H 3.89 0.02 1 949 . 78 SER C C 175.3 0.1 1 950 . 78 SER CA C 60.12 0.1 1 951 . 78 SER CB C 61.98 0.1 1 952 . 78 SER N N 110.7 0.1 1 953 . 79 GLU H H 7.48 0.02 1 954 . 79 GLU HA H 4.36 0.02 1 955 . 79 GLU HB2 H 2.10 0.02 1 956 . 79 GLU HB3 H 1.74 0.02 1 957 . 79 GLU HG2 H 2.16 0.02 1 958 . 79 GLU HG3 H 2.16 0.02 1 959 . 79 GLU C C 177.3 0.1 1 960 . 79 GLU CA C 55.29 0.1 1 961 . 79 GLU CB C 30.20 0.1 1 962 . 79 GLU CG C 35.73 0.1 1 963 . 79 GLU CD C 182.2 0.1 1 964 . 79 GLU N N 119.0 0.1 1 965 . 80 LEU H H 7.38 0.02 1 966 . 80 LEU HA H 3.66 0.02 1 967 . 80 LEU HB2 H 1.30 0.02 1 968 . 80 LEU HB3 H 1.19 0.02 1 969 . 80 LEU HG H 1.36 0.02 1 970 . 80 LEU HD1 H 0.59 0.02 1 971 . 80 LEU HD2 H 0.45 0.02 1 972 . 80 LEU C C 177.1 0.1 1 973 . 80 LEU CA C 57.36 0.1 1 974 . 80 LEU CB C 41.89 0.1 1 975 . 80 LEU CG C 25.80 0.1 1 976 . 80 LEU CD1 C 24.08 0.1 1 977 . 80 LEU CD2 C 25.30 0.1 1 978 . 80 LEU N N 121.7 0.1 1 979 . 81 GLY H H 7.92 0.02 1 980 . 81 GLY HA2 H 3.77 0.02 1 981 . 81 GLY HA3 H 3.47 0.02 1 982 . 81 GLY C C 174.2 0.1 1 983 . 81 GLY CA C 46.58 0.1 1 984 . 81 GLY N N 102.9 0.1 1 985 . 82 GLY H H 7.47 0.02 1 986 . 82 GLY HA2 H 4.30 0.02 1 987 . 82 GLY HA3 H 3.76 0.02 1 988 . 82 GLY C C 174.6 0.1 1 989 . 82 GLY CA C 44.38 0.1 1 990 . 82 GLY N N 105.9 0.1 1 991 . 83 LYS H H 7.94 0.02 1 992 . 83 LYS HA H 5.11 0.02 1 993 . 83 LYS HB2 H 1.98 0.02 1 994 . 83 LYS HB3 H 1.85 0.02 1 995 . 83 LYS HG2 H 1.30 0.02 1 996 . 83 LYS HG3 H 1.30 0.02 1 997 . 83 LYS HD2 H 1.75 0.02 1 998 . 83 LYS HD3 H 1.55 0.02 1 999 . 83 LYS C C 176.5 0.1 1 1000 . 83 LYS CA C 53.81 0.1 1 1001 . 83 LYS CB C 33.81 0.1 1 1002 . 83 LYS CG C 25.14 0.1 1 1003 . 83 LYS CD C 28.16 0.1 1 1004 . 83 LYS CE C 42.26 0.1 1 1005 . 83 LYS N N 119.0 0.1 1 1006 . 84 THR H H 8.35 0.02 1 1007 . 84 THR HA H 4.65 0.02 1 1008 . 84 THR HB H 3.75 0.02 1 1009 . 84 THR HG2 H 0.80 0.02 1 1010 . 84 THR C C 171.8 0.1 1 1011 . 84 THR CA C 61.80 0.1 1 1012 . 84 THR CB C 71.32 0.1 1 1013 . 84 THR CG2 C 20.74 0.1 1 1014 . 84 THR N N 118.4 0.1 1 1015 . 85 LEU H H 8.51 0.02 1 1016 . 85 LEU HA H 4.45 0.02 1 1017 . 85 LEU HB2 H 1.74 0.02 1 1018 . 85 LEU HB3 H 1.25 0.02 1 1019 . 85 LEU HG H 1.18 0.02 1 1020 . 85 LEU HD1 H 0.71 0.02 1 1021 . 85 LEU HD2 H 0.59 0.02 1 1022 . 85 LEU C C 173.5 0.1 1 1023 . 85 LEU CA C 54.00 0.1 1 1024 . 85 LEU CB C 43.79 0.1 1 1025 . 85 LEU CG C 26.80 0.1 1 1026 . 85 LEU CD1 C 27.40 0.1 1 1027 . 85 LEU CD2 C 23.86 0.1 1 1028 . 85 LEU N N 130.5 0.1 1 1029 . 86 VAL H H 8.84 0.02 1 1030 . 86 VAL HA H 4.17 0.02 1 1031 . 86 VAL HB H 0.40 0.02 1 1032 . 86 VAL HG1 H 0.47 0.02 1 1033 . 86 VAL HG2 H 0.42 0.02 1 1034 . 86 VAL C C 173.6 0.1 1 1035 . 86 VAL CA C 61.21 0.1 1 1036 . 86 VAL CB C 31.97 0.1 1 1037 . 86 VAL CG1 C 21.00 0.1 1 1038 . 86 VAL CG2 C 21.00 0.1 1 1039 . 86 VAL N N 127.7 0.1 1 1040 . 87 MET H H 7.58 0.02 1 1041 . 87 MET HA H 4.71 0.02 1 1042 . 87 MET HB2 H 1.05 0.02 1 1043 . 87 MET HB3 H 1.05 0.02 1 1044 . 87 MET HG2 H 2.04 0.02 1 1045 . 87 MET HG3 H 1.80 0.02 1 1046 . 87 MET C C 172.8 0.1 1 1047 . 87 MET CA C 53.70 0.1 1 1048 . 87 MET CB C 34.16 0.1 1 1049 . 87 MET CG C 33.23 0.1 1 1050 . 87 MET N N 122.6 0.1 1 1051 . 88 ALA H H 8.86 0.02 1 1052 . 88 ALA HA H 4.95 0.02 1 1053 . 88 ALA HB H 1.36 0.02 1 1054 . 88 ALA C C 174.6 0.1 1 1055 . 88 ALA CA C 49.98 0.1 1 1056 . 88 ALA CB C 22.81 0.1 1 1057 . 88 ALA N N 124.3 0.1 1 1058 . 89 VAL H H 8.90 0.02 1 1059 . 89 VAL HA H 4.66 0.02 1 1060 . 89 VAL HB H 1.86 0.02 1 1061 . 89 VAL HG1 H 0.99 0.02 1 1062 . 89 VAL HG2 H 0.91 0.02 1 1063 . 89 VAL C C 173.7 0.1 1 1064 . 89 VAL CA C 60.89 0.1 1 1065 . 89 VAL CB C 31.61 0.1 1 1066 . 89 VAL CG1 C 21.53 0.1 1 1067 . 89 VAL CG2 C 22.83 0.1 1 1068 . 89 VAL N N 123.0 0.1 1 1069 . 90 TYR H H 9.15 0.02 1 1070 . 90 TYR HA H 4.83 0.02 1 1071 . 90 TYR HB2 H 2.42 0.02 1 1072 . 90 TYR HB3 H 1.34 0.02 1 1073 . 90 TYR HD1 H 6.77 0.02 1 1074 . 90 TYR HE1 H 6.64 0.02 1 1075 . 90 TYR C C 173.2 0.1 1 1076 . 90 TYR CA C 56.17 0.1 1 1077 . 90 TYR CB C 43.01 0.1 1 1078 . 90 TYR CD1 C 132.0 0.1 1 1079 . 90 TYR CE1 C 117.6 0.1 1 1080 . 90 TYR N N 128.4 0.1 1 1081 . 91 ASP H H 8.95 0.02 1 1082 . 91 ASP HA H 5.08 0.02 1 1083 . 91 ASP HB2 H 2.94 0.02 1 1084 . 91 ASP HB3 H 2.38 0.02 1 1085 . 91 ASP C C 175.8 0.1 1 1086 . 91 ASP CA C 51.69 0.1 1 1087 . 91 ASP CB C 42.00 0.1 1 1088 . 91 ASP CG C 177.3 0.1 1 1089 . 91 ASP N N 116.4 0.1 1 1090 . 92 PHE H H 9.57 0.02 1 1091 . 92 PHE HA H 4.48 0.02 1 1092 . 92 PHE HB2 H 3.30 0.02 1 1093 . 92 PHE HB3 H 3.14 0.02 1 1094 . 92 PHE HD1 H 7.01 0.02 1 1095 . 92 PHE HD2 H 7.01 0.02 1 1096 . 92 PHE HE1 H 7.01 0.02 1 1097 . 92 PHE HE2 H 7.01 0.02 1 1098 . 92 PHE HZ H 7.19 0.02 1 1099 . 92 PHE C C 174.2 0.1 1 1100 . 92 PHE CA C 58.81 0.1 1 1101 . 92 PHE CB C 39.71 0.1 1 1102 . 92 PHE CD1 C 131.2 0.1 1 1103 . 92 PHE CD2 C 131.2 0.1 1 1104 . 92 PHE CE1 C 131.2 0.1 1 1105 . 92 PHE CE2 C 131.2 0.1 1 1106 . 92 PHE CZ C 129.1 0.1 1 1107 . 92 PHE N N 128.2 0.1 1 1108 . 93 ASP H H 7.85 0.02 1 1109 . 93 ASP HA H 4.48 0.02 1 1110 . 93 ASP HB2 H 2.86 0.02 1 1111 . 93 ASP HB3 H 2.79 0.02 1 1112 . 93 ASP C C 175.8 0.1 1 1113 . 93 ASP CA C 53.85 0.1 1 1114 . 93 ASP CB C 41.87 0.1 1 1115 . 93 ASP CG C 179.4 0.1 1 1116 . 93 ASP N N 122.1 0.1 1 1117 . 94 ARG H H 8.25 0.02 1 1118 . 94 ARG HA H 3.99 0.02 1 1119 . 94 ARG HB2 H 1.50 0.02 1 1120 . 94 ARG HB3 H 1.50 0.02 1 1121 . 94 ARG HG2 H 1.29 0.02 1 1122 . 94 ARG HG3 H 1.12 0.02 1 1123 . 94 ARG HD2 H 3.01 0.02 1 1124 . 94 ARG HD3 H 3.01 0.02 1 1125 . 94 ARG C C 175.8 0.1 1 1126 . 94 ARG CA C 56.68 0.1 1 1127 . 94 ARG CB C 29.59 0.1 1 1128 . 94 ARG CG C 26.13 0.1 1 1129 . 94 ARG CD C 42.99 0.1 1 1130 . 94 ARG N N 121.1 0.1 1 1131 . 95 PHE H H 8.24 0.02 1 1132 . 95 PHE HA H 4.46 0.02 1 1133 . 95 PHE HB2 H 3.25 0.02 1 1134 . 95 PHE HB3 H 2.96 0.02 1 1135 . 95 PHE HD1 H 7.26 0.02 1 1136 . 95 PHE HE1 H 7.32 0.02 1 1137 . 95 PHE HZ H 7.32 0.02 1 1138 . 95 PHE C C 175.4 0.1 1 1139 . 95 PHE CA C 57.71 0.1 1 1140 . 95 PHE CB C 38.44 0.1 1 1141 . 95 PHE CD1 C 131.2 0.1 1 1142 . 95 PHE CE1 C 131.2 0.1 1 1143 . 95 PHE CZ C 129.1 0.1 1 1144 . 95 PHE N N 118.7 0.1 1 1145 . 96 SER H H 7.97 0.02 1 1146 . 96 SER HA H 4.22 0.02 1 1147 . 96 SER HB2 H 3.89 0.02 1 1148 . 96 SER HB3 H 3.84 0.02 1 1149 . 96 SER C C 173.8 0.1 1 1150 . 96 SER CA C 57.95 0.1 1 1151 . 96 SER CB C 63.11 0.1 1 1152 . 96 SER N N 113.8 0.1 1 1153 . 97 LYS H H 8.19 0.02 1 1154 . 97 LYS HA H 4.23 0.02 1 1155 . 97 LYS HB2 H 1.72 0.02 1 1156 . 97 LYS HB3 H 1.72 0.02 1 1157 . 97 LYS HG2 H 1.37 0.02 1 1158 . 97 LYS HG3 H 1.33 0.02 1 1159 . 97 LYS HD2 H 1.63 0.02 1 1160 . 97 LYS HD3 H 1.63 0.02 1 1161 . 97 LYS HE2 H 2.96 0.02 1 1162 . 97 LYS HE3 H 2.96 0.02 1 1163 . 97 LYS C C 175.6 0.1 1 1164 . 97 LYS CA C 55.98 0.1 1 1165 . 97 LYS CB C 31.86 0.1 1 1166 . 97 LYS CG C 24.24 0.1 1 1167 . 97 LYS CD C 28.43 0.1 1 1168 . 97 LYS N N 121.5 0.1 1 1169 . 98 HIS H H 8.41 0.02 1 1170 . 98 HIS HA H 4.93 0.02 1 1171 . 98 HIS HB2 H 3.33 0.02 1 1172 . 98 HIS HB3 H 3.14 0.02 1 1173 . 98 HIS HD2 H 7.22 0.02 1 1174 . 98 HIS HE1 H 8.23 0.02 1 1175 . 98 HIS C C 173.9 0.1 1 1176 . 98 HIS CA C 54.16 0.1 1 1177 . 98 HIS CB C 29.25 0.1 1 1178 . 98 HIS CD2 C 118.9 0.1 1 1179 . 98 HIS CE1 C 136.5 0.1 1 1180 . 98 HIS N N 118.8 0.1 1 1181 . 99 ASP H H 8.72 0.02 1 1182 . 99 ASP HA H 4.81 0.02 1 1183 . 99 ASP HB2 H 2.83 0.02 1 1184 . 99 ASP HB3 H 2.75 0.02 1 1185 . 99 ASP C C 174.2 0.1 1 1186 . 99 ASP CA C 53.81 0.1 1 1187 . 99 ASP CB C 40.60 0.1 1 1188 . 99 ASP CG C 179.0 0.1 1 1189 . 99 ASP N N 121.7 0.1 1 1190 . 100 ILE H H 8.17 0.02 1 1191 . 100 ILE HA H 3.41 0.02 1 1192 . 100 ILE HB H 1.27 0.02 1 1193 . 100 ILE HG12 H 0.76 0.02 1 1194 . 100 ILE HG13 H 0.27 0.02 1 1195 . 100 ILE HG2 H 0.60 0.02 1 1196 . 100 ILE HD1 H 0.53 0.02 1 1197 . 100 ILE C C 174.4 0.1 1 1198 . 100 ILE CA C 60.97 0.1 1 1199 . 100 ILE CB C 38.74 0.1 1 1200 . 100 ILE CG1 C 28.75 0.1 1 1201 . 100 ILE CG2 C 15.87 0.1 1 1202 . 100 ILE CD1 C 13.65 0.1 1 1203 . 100 ILE N N 122.6 0.1 1 1204 . 101 ILE H H 9.22 0.02 1 1205 . 101 ILE HA H 3.88 0.02 1 1206 . 101 ILE HB H 1.47 0.02 1 1207 . 101 ILE HG12 H 0.92 0.02 1 1208 . 101 ILE HG13 H 0.92 0.02 1 1209 . 101 ILE HG2 H 0.86 0.02 1 1210 . 101 ILE HD1 H 0.77 0.02 1 1211 . 101 ILE C C 175.8 0.1 1 1212 . 101 ILE CA C 63.36 0.1 1 1213 . 101 ILE CB C 38.04 0.1 1 1214 . 101 ILE CG1 C 27.80 0.1 1 1215 . 101 ILE CG2 C 17.24 0.1 1 1216 . 101 ILE CD1 C 12.86 0.1 1 1217 . 101 ILE N N 127.5 0.1 1 1218 . 102 GLY H H 7.33 0.02 1 1219 . 102 GLY HA2 H 4.06 0.02 1 1220 . 102 GLY HA3 H 3.84 0.02 1 1221 . 102 GLY C C 169.8 0.1 1 1222 . 102 GLY CA C 45.22 0.1 1 1223 . 102 GLY N N 101.3 0.1 1 1224 . 103 GLU H H 9.61 0.02 1 1225 . 103 GLU HA H 5.52 0.02 1 1226 . 103 GLU HB2 H 1.87 0.02 1 1227 . 103 GLU HB3 H 1.87 0.02 1 1228 . 103 GLU HG2 H 1.95 0.02 1 1229 . 103 GLU HG3 H 1.87 0.02 1 1230 . 103 GLU C C 174.0 0.1 1 1231 . 103 GLU CA C 54.19 0.1 1 1232 . 103 GLU CB C 33.68 0.1 1 1233 . 103 GLU CG C 32.19 0.1 1 1234 . 103 GLU CD C 179.9 0.1 9 1235 . 103 GLU N N 117.1 0.1 1 1236 . 104 PHE H H 8.56 0.02 1 1237 . 104 PHE HA H 4.77 0.02 1 1238 . 104 PHE HB2 H 3.18 0.02 1 1239 . 104 PHE HB3 H 3.12 0.02 1 1240 . 104 PHE HD1 H 6.84 0.02 1 1241 . 104 PHE HE1 H 6.98 0.02 1 1242 . 104 PHE HZ H 7.03 0.02 1 1243 . 104 PHE C C 171.8 0.1 1 1244 . 104 PHE CA C 57.89 0.1 1 1245 . 104 PHE CB C 40.87 0.1 1 1246 . 104 PHE CD1 C 131.1 0.1 1 1247 . 104 PHE CE1 C 130.8 0.1 1 1248 . 104 PHE CZ C 129.5 0.1 1 1249 . 104 PHE N N 115.9 0.1 1 1250 . 105 LYS H H 7.94 0.02 1 1251 . 105 LYS HA H 5.20 0.02 1 1252 . 105 LYS HB2 H 1.54 0.02 1 1253 . 105 LYS HB3 H 1.26 0.02 1 1254 . 105 LYS HG2 H 1.14 0.02 1 1255 . 105 LYS HG3 H 1.14 0.02 1 1256 . 105 LYS HD2 H 1.47 0.02 1 1257 . 105 LYS HD3 H 1.47 0.02 1 1258 . 105 LYS HE2 H 2.77 0.02 1 1259 . 105 LYS HE3 H 2.77 0.02 1 1260 . 105 LYS C C 175.4 0.1 1 1261 . 105 LYS CA C 53.77 0.1 1 1262 . 105 LYS CB C 34.95 0.1 1 1263 . 105 LYS CG C 24.98 0.1 1 1264 . 105 LYS CD C 28.99 0.1 1 1265 . 105 LYS CE C 41.35 0.1 1 1266 . 105 LYS N N 119.0 0.1 1 1267 . 106 VAL H H 9.34 0.02 1 1268 . 106 VAL HA H 4.43 0.02 1 1269 . 106 VAL HB H 1.95 0.02 1 1270 . 106 VAL HG1 H 0.74 0.02 1 1271 . 106 VAL HG2 H 0.68 0.02 1 1272 . 106 VAL C C 173.3 0.1 1 1273 . 106 VAL CA C 58.56 0.1 1 1274 . 106 VAL CB C 34.05 0.1 1 1275 . 106 VAL CG1 C 19.78 0.1 1 1276 . 106 VAL CG2 C 20.35 0.1 1 1277 . 106 VAL N N 121.5 0.1 1 1278 . 107 PRO HA H 4.73 0.02 1 1279 . 107 PRO HB2 H 2.37 0.02 1 1280 . 107 PRO HB3 H 2.20 0.02 1 1281 . 107 PRO HG2 H 2.23 0.02 1 1282 . 107 PRO HG3 H 1.89 0.02 1 1283 . 107 PRO HD2 H 3.71 0.02 1 1284 . 107 PRO HD3 H 3.71 0.02 1 1285 . 107 PRO C C 179.0 0.1 1 1286 . 107 PRO CA C 62.27 0.1 1 1287 . 107 PRO CB C 31.05 0.1 1 1288 . 107 PRO CG C 27.33 0.1 1 1289 . 107 PRO CD C 50.99 0.1 1 1290 . 108 MET H H 8.78 0.02 1 1291 . 108 MET HA H 4.50 0.02 1 1292 . 108 MET HB2 H 2.30 0.02 1 1293 . 108 MET HB3 H 1.89 0.02 1 1294 . 108 MET HG2 H 2.67 0.02 1 1295 . 108 MET HG3 H 2.61 0.02 1 1296 . 108 MET HE H 2.13 0.02 9 1297 . 108 MET C C 176.8 0.1 1 1298 . 108 MET CA C 56.76 0.1 1 1299 . 108 MET CB C 32.99 0.1 1 1300 . 108 MET CG C 32.81 0.1 1 1301 . 108 MET CE C 20.18 0.1 9 1302 . 108 MET N N 126.3 0.1 1 1303 . 109 ASN H H 8.40 0.02 1 1304 . 109 ASN HA H 4.60 0.02 1 1305 . 109 ASN HB2 H 3.11 0.02 1 1306 . 109 ASN HB3 H 3.03 0.02 1 1307 . 109 ASN HD21 H 7.45 0.02 1 1308 . 109 ASN HD22 H 6.51 0.02 1 1309 . 109 ASN C C 175.8 0.1 1 1310 . 109 ASN CA C 54.06 0.1 1 1311 . 109 ASN CB C 36.21 0.1 1 1312 . 109 ASN CG C 176.2 0.1 1 1313 . 109 ASN N N 115.5 0.1 1 1314 . 109 ASN ND2 N 109.7 0.1 1 1315 . 110 THR H H 7.58 0.02 1 1316 . 110 THR HA H 4.45 0.02 1 1317 . 110 THR HB H 4.48 0.02 1 1318 . 110 THR HG2 H 1.23 0.02 1 1319 . 110 THR C C 173.5 0.1 1 1320 . 110 THR CA C 61.07 0.1 1 1321 . 110 THR CB C 69.96 0.1 1 1322 . 110 THR CG2 C 21.12 0.1 1 1323 . 110 THR N N 107.7 0.1 1 1324 . 111 VAL H H 7.03 0.02 1 1325 . 111 VAL HA H 3.74 0.02 1 1326 . 111 VAL HB H 1.59 0.02 1 1327 . 111 VAL HG1 H 0.71 0.02 1 1328 . 111 VAL HG2 H -0.04 0.02 1 1329 . 111 VAL C C 173.9 0.1 1 1330 . 111 VAL CA C 61.75 0.1 1 1331 . 111 VAL CB C 32.85 0.1 1 1332 . 111 VAL CG1 C 21.71 0.1 1 1333 . 111 VAL CG2 C 20.39 0.1 1 1334 . 111 VAL N N 123.6 0.1 1 1335 . 112 ASP H H 8.36 0.02 1 1336 . 112 ASP HA H 4.74 0.02 1 1337 . 112 ASP HB2 H 2.79 0.02 1 1338 . 112 ASP HB3 H 2.53 0.02 1 1339 . 112 ASP C C 175.4 0.1 1 1340 . 112 ASP CA C 51.76 0.1 1 1341 . 112 ASP CB C 40.53 0.1 1 1342 . 112 ASP CG C 180.2 0.1 1 1343 . 112 ASP N N 126.1 0.1 1 1344 . 113 PHE H H 8.44 0.02 1 1345 . 113 PHE HA H 4.70 0.02 1 1346 . 113 PHE HB2 H 3.66 0.02 1 1347 . 113 PHE HB3 H 3.05 0.02 1 1348 . 113 PHE HD1 H 7.43 0.02 1 1349 . 113 PHE HE1 H 7.14 0.02 1 1350 . 113 PHE HZ H 7.25 0.02 1 1351 . 113 PHE C C 175.9 0.1 1 1352 . 113 PHE CA C 59.77 0.1 1 1353 . 113 PHE CB C 38.04 0.1 1 1354 . 113 PHE CD1 C 131.9 0.1 1 1355 . 113 PHE CE1 C 130.6 0.1 1 1356 . 113 PHE CZ C 129.0 0.1 1 1357 . 113 PHE N N 122.8 0.1 1 1358 . 114 GLY H H 9.02 0.02 1 1359 . 114 GLY HA2 H 4.06 0.02 1 1360 . 114 GLY HA3 H 3.95 0.02 1 1361 . 114 GLY C C 173.0 0.1 1 1362 . 114 GLY CA C 45.64 0.1 1 1363 . 114 GLY N N 108.6 0.1 1 1364 . 115 HIS H H 7.57 0.02 1 1365 . 115 HIS HA H 4.90 0.02 1 1366 . 115 HIS HB2 H 3.33 0.02 1 1367 . 115 HIS HB3 H 3.14 0.02 1 1368 . 115 HIS HD2 H 7.23 0.02 1 1369 . 115 HIS HE1 H 8.54 0.02 1 1370 . 115 HIS C C 172.5 0.1 1 1371 . 115 HIS CA C 53.49 0.1 1 1372 . 115 HIS CB C 30.26 0.1 1 1373 . 115 HIS CD2 C 119.8 0.1 1 1374 . 115 HIS CE1 C 135.6 0.1 1 1375 . 115 HIS N N 114.7 0.1 1 1376 . 116 VAL H H 8.54 0.02 1 1377 . 116 VAL HA H 4.29 0.02 1 1378 . 116 VAL HB H 2.02 0.02 1 1379 . 116 VAL HG1 H 1.00 0.02 1 1380 . 116 VAL HG2 H 0.87 0.02 1 1381 . 116 VAL C C 176.4 0.1 1 1382 . 116 VAL CA C 62.95 0.1 1 1383 . 116 VAL CB C 31.83 0.1 1 1384 . 116 VAL CG1 C 21.33 0.1 1 1385 . 116 VAL CG2 C 20.27 0.1 1 1386 . 116 VAL N N 122.1 0.1 1 1387 . 117 THR H H 8.63 0.02 1 1388 . 117 THR HA H 4.49 0.02 1 1389 . 117 THR HB H 4.02 0.02 1 1390 . 117 THR HG2 H 1.09 0.02 1 1391 . 117 THR C C 172.8 0.1 1 1392 . 117 THR CA C 61.68 0.1 1 1393 . 117 THR CB C 70.13 0.1 1 1394 . 117 THR CG2 C 20.52 0.1 1 1395 . 117 THR N N 124.8 0.1 1 1396 . 118 GLU H H 8.46 0.02 1 1397 . 118 GLU HA H 4.82 0.02 1 1398 . 118 GLU HB2 H 1.70 0.02 1 1399 . 118 GLU HB3 H 1.70 0.02 1 1400 . 118 GLU HG2 H 1.92 0.02 1 1401 . 118 GLU HG3 H 1.77 0.02 1 1402 . 118 GLU C C 174.4 0.1 1 1403 . 118 GLU CA C 55.01 0.1 1 1404 . 118 GLU CB C 30.29 0.1 1 1405 . 118 GLU CG C 34.63 0.1 1 1406 . 118 GLU CD C 181.2 0.1 1 1407 . 118 GLU N N 125.8 0.1 1 1408 . 119 GLU H H 8.07 0.02 1 1409 . 119 GLU HA H 4.66 0.02 1 1410 . 119 GLU HB2 H 1.81 0.02 1 1411 . 119 GLU HB3 H 1.45 0.02 1 1412 . 119 GLU HG2 H 1.91 0.02 1 1413 . 119 GLU HG3 H 1.91 0.02 1 1414 . 119 GLU C C 173.1 0.1 1 1415 . 119 GLU CA C 54.25 0.1 1 1416 . 119 GLU CB C 32.80 0.1 1 1417 . 119 GLU CG C 34.42 0.1 1 1418 . 119 GLU CD C 183.1 0.1 1 1419 . 119 GLU N N 122.9 0.1 1 1420 . 120 TRP H H 8.25 0.02 1 1421 . 120 TRP HA H 5.32 0.02 1 1422 . 120 TRP HB2 H 2.91 0.02 1 1423 . 120 TRP HB3 H 2.91 0.02 1 1424 . 120 TRP HD1 H 7.24 0.02 1 1425 . 120 TRP HE1 H 10.16 0.02 1 1426 . 120 TRP HE3 H 7.15 0.02 1 1427 . 120 TRP HZ2 H 7.24 0.02 1 1428 . 120 TRP HZ3 H 6.70 0.02 1 1429 . 120 TRP HH2 H 6.71 0.02 1 1430 . 120 TRP C C 177.3 0.1 1 1431 . 120 TRP CA C 55.72 0.1 1 1432 . 120 TRP CB C 31.13 0.1 1 1433 . 120 TRP CD1 C 127.5 0.1 1 1434 . 120 TRP CE3 C 120.0 0.1 1 1435 . 120 TRP CZ2 C 114.7 0.1 1 1436 . 120 TRP CZ3 C 123.5 0.1 1 1437 . 120 TRP CH2 C 120.4 0.1 1 1438 . 120 TRP N N 118.4 0.1 1 1439 . 120 TRP NE1 N 131.0 0.1 1 1440 . 121 ARG H H 9.07 0.02 1 1441 . 121 ARG HA H 4.51 0.02 1 1442 . 121 ARG HB2 H 0.84 0.02 1 1443 . 121 ARG HB3 H 0.72 0.02 1 1444 . 121 ARG HG2 H 1.31 0.02 1 1445 . 121 ARG HG3 H 1.22 0.02 1 1446 . 121 ARG HD2 H 3.15 0.02 1 1447 . 121 ARG HD3 H 2.77 0.02 1 1448 . 121 ARG C C 174.4 0.1 1 1449 . 121 ARG CA C 53.59 0.1 1 1450 . 121 ARG CB C 32.88 0.1 1 1451 . 121 ARG CG C 27.43 0.1 1 1452 . 121 ARG CD C 42.11 0.1 1 1453 . 121 ARG N N 120.9 0.1 1 1454 . 122 ASP H H 8.26 0.02 1 1455 . 122 ASP HA H 4.81 0.02 1 1456 . 122 ASP HB2 H 2.74 0.02 1 1457 . 122 ASP HB3 H 2.48 0.02 1 1458 . 122 ASP C C 176.0 0.1 1 1459 . 122 ASP CA C 53.87 0.1 1 1460 . 122 ASP CB C 40.36 0.1 1 1461 . 122 ASP CG C 179.1 0.1 1 1462 . 122 ASP N N 121.6 0.1 1 1463 . 123 LEU H H 8.50 0.02 1 1464 . 123 LEU HA H 4.15 0.02 1 1465 . 123 LEU HB2 H 1.61 0.02 1 1466 . 123 LEU HB3 H 1.61 0.02 1 1467 . 123 LEU HG H 1.45 0.02 1 1468 . 123 LEU HD1 H 0.74 0.02 1 1469 . 123 LEU HD2 H 0.74 0.02 1 1470 . 123 LEU C C 175.9 0.1 1 1471 . 123 LEU CA C 55.01 0.1 1 1472 . 123 LEU CB C 41.74 0.1 1 1473 . 123 LEU CG C 27.20 0.1 1 1474 . 123 LEU CD1 C 24.71 0.1 1 1475 . 123 LEU CD2 C 22.41 0.1 1 1476 . 123 LEU N N 120.8 0.1 1 1477 . 124 GLN H H 9.01 0.02 1 1478 . 124 GLN HA H 4.77 0.02 1 1479 . 124 GLN HB2 H 2.25 0.02 1 1480 . 124 GLN HB3 H 2.20 0.02 1 1481 . 124 GLN HG2 H 2.55 0.02 1 1482 . 124 GLN HG3 H 2.55 0.02 1 1483 . 124 GLN HE21 H 7.56 0.02 1 1484 . 124 GLN HE22 H 7.01 0.02 1 1485 . 124 GLN C C 175.3 0.1 1 1486 . 124 GLN CA C 53.25 0.1 1 1487 . 124 GLN CB C 31.15 0.1 1 1488 . 124 GLN CG C 33.46 0.1 1 1489 . 124 GLN CD C 180.5 0.1 1 1490 . 124 GLN N N 119.2 0.1 1 1491 . 124 GLN NE2 N 112.6 0.1 1 1492 . 125 SER H H 8.59 0.02 1 1493 . 125 SER HA H 4.25 0.02 1 1494 . 125 SER HB2 H 3.89 0.02 1 1495 . 125 SER HB3 H 3.82 0.02 1 1496 . 125 SER C C 174.6 0.1 1 1497 . 125 SER CA C 58.42 0.1 1 1498 . 125 SER CB C 63.26 0.1 1 1499 . 125 SER N N 115.2 0.1 1 1500 . 126 ALA H H 8.68 0.02 1 1501 . 126 ALA HA H 4.24 0.02 1 1502 . 126 ALA HB H 1.20 0.02 1 1503 . 126 ALA C C 176.8 0.1 1 1504 . 126 ALA CA C 51.64 0.1 1 1505 . 126 ALA CB C 19.66 0.1 1 1506 . 126 ALA N N 126.6 0.1 1 1507 . 127 GLU H H 8.18 0.02 1 1508 . 127 GLU HA H 4.20 0.02 1 1509 . 127 GLU HB2 H 2.02 0.02 1 1510 . 127 GLU HB3 H 1.87 0.02 1 1511 . 127 GLU HG2 H 2.24 0.02 1 1512 . 127 GLU HG3 H 2.24 0.02 1 1513 . 127 GLU C C 175.1 0.1 1 1514 . 127 GLU CA C 56.08 0.1 1 1515 . 127 GLU CB C 29.69 0.1 1 1516 . 127 GLU CG C 35.42 0.1 1 1517 . 127 GLU CD C 183.3 0.1 1 1518 . 127 GLU N N 120.2 0.1 1 1519 . 128 LYS H H 7.85 0.02 1 1520 . 128 LYS HA H 4.10 0.02 1 1521 . 128 LYS HB2 H 1.78 0.02 1 1522 . 128 LYS HB3 H 1.66 0.02 1 1523 . 128 LYS HG2 H 1.35 0.02 1 1524 . 128 LYS HG3 H 1.35 0.02 1 1525 . 128 LYS HD2 H 1.64 0.02 1 1526 . 128 LYS HD3 H 1.64 0.02 1 1527 . 128 LYS HE2 H 2.97 0.02 1 1528 . 128 LYS HE3 H 2.97 0.02 1 1529 . 128 LYS C C 180.8 0.1 1 1530 . 128 LYS CA C 57.25 0.1 1 1531 . 128 LYS CB C 33.16 0.1 1 1532 . 128 LYS CG C 24.20 0.1 1 1533 . 128 LYS CD C 28.60 0.1 1 1534 . 128 LYS CE C 42.20 0.1 1 1535 . 128 LYS N N 127.0 0.1 1 stop_ save_