data_6226 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for the C-terminal domain of EW29 ; _BMRB_accession_number 6226 _BMRB_flat_file_name bmr6226.str _Entry_type original _Submission_date 2004-06-07 _Accession_date 2004-06-08 _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 Hemmi Hikaru . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 783 "13C chemical shifts" 591 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-16 update author 'correction of chemical shifts' 2008-09-16 update author 'addition and correction of chemical shifts' 2008-01-09 update author 'addition and correction of chemical shifts' 2004-12-16 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: 1H, 13C and 15N chemical shift assignment of the C-terminal 15 kDa domain of novel galactose-binding protein from the earth worm Lumbricus terrestris ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15756471 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hemmi Hikaru . . 2 Kuno Atsushi . . 3 Ito Shigeyasu . . 4 Suzuki Ryuichiro . . 5 Kaneko Satoshi . . 6 Hasegawa Tsunemi . . 7 Hirabayashi Jun . . 8 Kasai Ken-ichi . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 30 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 377 _Page_last 378 _Year 2004 _Details . loop_ _Keyword 'NMR assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'EW29 monomer' _Abbreviation_common EW29 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'EW29 monomer' $galactose-binding_protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_galactose-binding_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'C-terminal domain of EW29' _Abbreviation_common APP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; MKPKFFYIKSELNGKVLDIE GQNPAPGSKIITWDQKKGPT AVNQLWYTDQQGVIRSKLND FAIDASHEQIETQPFDPNNP KRAWIVSGNTIAQLSDRDIV LDIIKSDKEAGAHICAWKQH GGPNQKFIIESE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 PRO 4 LYS 5 PHE 6 PHE 7 TYR 8 ILE 9 LYS 10 SER 11 GLU 12 LEU 13 ASN 14 GLY 15 LYS 16 VAL 17 LEU 18 ASP 19 ILE 20 GLU 21 GLY 22 GLN 23 ASN 24 PRO 25 ALA 26 PRO 27 GLY 28 SER 29 LYS 30 ILE 31 ILE 32 THR 33 TRP 34 ASP 35 GLN 36 LYS 37 LYS 38 GLY 39 PRO 40 THR 41 ALA 42 VAL 43 ASN 44 GLN 45 LEU 46 TRP 47 TYR 48 THR 49 ASP 50 GLN 51 GLN 52 GLY 53 VAL 54 ILE 55 ARG 56 SER 57 LYS 58 LEU 59 ASN 60 ASP 61 PHE 62 ALA 63 ILE 64 ASP 65 ALA 66 SER 67 HIS 68 GLU 69 GLN 70 ILE 71 GLU 72 THR 73 GLN 74 PRO 75 PHE 76 ASP 77 PRO 78 ASN 79 ASN 80 PRO 81 LYS 82 ARG 83 ALA 84 TRP 85 ILE 86 VAL 87 SER 88 GLY 89 ASN 90 THR 91 ILE 92 ALA 93 GLN 94 LEU 95 SER 96 ASP 97 ARG 98 ASP 99 ILE 100 VAL 101 LEU 102 ASP 103 ILE 104 ILE 105 LYS 106 SER 107 ASP 108 LYS 109 GLU 110 ALA 111 GLY 112 ALA 113 HIS 114 ILE 115 CYS 116 ALA 117 TRP 118 LYS 119 GLN 120 HIS 121 GLY 122 GLY 123 PRO 124 ASN 125 GLN 126 LYS 127 PHE 128 ILE 129 ILE 130 GLU 131 SER 132 GLU 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 2RST "Nmr Structure Of The C-terminal Domain Of Ew29" 100.00 132 100.00 100.00 6.44e-91 PDB 2ZQN "Crystal Structure Of The Earthworm R-Type Lectin C-Half In Complex With Lactose" 99.24 131 100.00 100.00 7.28e-90 PDB 2ZQO "Crystal Structure Of The Earthworm R-Type Lectin C-Half In Complex With Galnac" 98.48 130 100.00 100.00 3.01e-89 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $galactose-binding_protein 'common earthworm' 6398 Eukaryota Metazoa Lumbricus terrestris 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 $galactose-binding_protein '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 _Isotopic_labeling $galactose-binding_protein 0.9 mM '[U-15N; U-13C]' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Task acquisiton stop_ _Details Bruker save_ save_Felix_2 _Saveframe_category software _Name Felix _Version 2000 loop_ _Task processing stop_ _Details Accelrys save_ save_Sparky_3 _Saveframe_category software _Name Sparky _Version 3.100 loop_ _Task 'Peak assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 0.01 n/a temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'EW29 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 . 3 PRO HA H 4.27 . 1 2 . 3 PRO HB2 H 2.02 . 2 3 . 3 PRO HB3 H 1.39 . 2 4 . 3 PRO HG2 H 1.63 . 1 5 . 3 PRO HG3 H 1.63 . 1 6 . 3 PRO HD2 H 3.68 . 2 7 . 3 PRO HD3 H 3.43 . 2 8 . 3 PRO C C 175.3 . 1 9 . 3 PRO CA C 62.8 . 1 10 . 3 PRO CB C 32.3 . 1 11 . 3 PRO CG C 27.2 . 1 12 . 3 PRO CD C 50.7 . 1 13 . 4 LYS H H 7.97 . 1 14 . 4 LYS HA H 4.16 . 1 15 . 4 LYS HB2 H 1.64 . 1 16 . 4 LYS HB3 H 1.64 . 1 17 . 4 LYS HG2 H 1.28 . 1 18 . 4 LYS HG3 H 1.28 . 1 19 . 4 LYS HD2 H 1.59 . 1 20 . 4 LYS HD3 H 1.59 . 1 21 . 4 LYS HE2 H 2.86 . 1 22 . 4 LYS HE3 H 2.86 . 1 23 . 4 LYS C C 175.6 . 1 24 . 4 LYS CA C 56.3 . 1 25 . 4 LYS CB C 33.1 . 1 26 . 4 LYS CG C 24.7 . 1 27 . 4 LYS CD C 29.4 . 1 28 . 4 LYS CE C 42.2 . 1 29 . 4 LYS N N 121.3 . 1 30 . 5 PHE H H 8.10 . 1 31 . 5 PHE HA H 5.53 . 1 32 . 5 PHE HB2 H 2.92 . 1 33 . 5 PHE HB3 H 2.92 . 1 34 . 5 PHE HD1 H 7.16 . 1 35 . 5 PHE HD2 H 7.16 . 1 36 . 5 PHE HE1 H 7.04 . 1 37 . 5 PHE HE2 H 7.04 . 1 38 . 5 PHE HZ H 7.11 . 1 39 . 5 PHE C C 176.2 . 1 40 . 5 PHE CA C 56.8 . 1 41 . 5 PHE CB C 42.0 . 1 42 . 5 PHE CD1 C 132.0 . 1 43 . 5 PHE CD2 C 132.0 . 1 44 . 5 PHE CE1 C 130.8 . 1 45 . 5 PHE CE2 C 130.8 . 1 46 . 5 PHE CZ C 126.9 . 1 47 . 5 PHE N N 118.6 . 1 48 . 6 PHE H H 9.27 . 1 49 . 6 PHE HA H 5.44 . 1 50 . 6 PHE HB2 H 3.19 . 2 51 . 6 PHE HB3 H 2.93 . 2 52 . 6 PHE HD1 H 7.01 . 1 53 . 6 PHE HD2 H 7.01 . 1 54 . 6 PHE HE1 H 7.08 . 1 55 . 6 PHE HE2 H 7.08 . 1 56 . 6 PHE HZ H 6.83 . 1 57 . 6 PHE C C 174.4 . 1 58 . 6 PHE CA C 55.6 . 1 59 . 6 PHE CB C 42.2 . 1 60 . 6 PHE CD1 C 134.2 . 1 61 . 6 PHE CD2 C 134.2 . 1 62 . 6 PHE CE1 C 130.0 . 1 63 . 6 PHE CE2 C 130.0 . 1 64 . 6 PHE CZ C 127.7 . 1 65 . 6 PHE N N 117.3 . 1 66 . 7 TYR H H 9.80 . 1 67 . 7 TYR HA H 5.27 . 1 68 . 7 TYR HB2 H 3.11 . 2 69 . 7 TYR HB3 H 2.95 . 2 70 . 7 TYR HD1 H 7.12 . 1 71 . 7 TYR HD2 H 7.12 . 1 72 . 7 TYR HE1 H 6.82 . 1 73 . 7 TYR HE2 H 6.82 . 1 74 . 7 TYR C C 176.3 . 1 75 . 7 TYR CA C 57.0 . 1 76 . 7 TYR CB C 41.5 . 1 77 . 7 TYR CD1 C 133.3 . 1 78 . 7 TYR CD2 C 133.3 . 1 79 . 7 TYR CE1 C 118.5 . 1 80 . 7 TYR CE2 C 118.5 . 1 81 . 7 TYR N N 117.7 . 1 82 . 8 ILE H H 9.47 . 1 83 . 8 ILE HA H 4.50 . 1 84 . 8 ILE HB H 1.33 . 2 85 . 8 ILE HG12 H 1.62 . 2 86 . 8 ILE HG13 H 0.66 . 1 87 . 8 ILE HG2 H 0.34 . 1 88 . 8 ILE HD1 H -0.23 . 1 89 . 8 ILE C C 173.9 . 1 90 . 8 ILE CA C 62.1 . 1 91 . 8 ILE CB C 38.5 . 1 92 . 8 ILE CG1 C 27.6 . 1 93 . 8 ILE CG2 C 18.5 . 1 94 . 8 ILE CD1 C 12.4 . 1 95 . 8 ILE N N 122.3 . 1 96 . 9 LYS H H 9.27 . 1 97 . 9 LYS HA H 4.96 . 1 98 . 9 LYS HB2 H 1.90 . 2 99 . 9 LYS HB3 H 1.23 . 2 100 . 9 LYS HG2 H 0.98 . 1 101 . 9 LYS HG3 H 0.98 . 1 102 . 9 LYS HD2 H 1.67 . 2 103 . 9 LYS HD3 H 1.26 . 2 104 . 9 LYS HE2 H 2.62 . 2 105 . 9 LYS HE3 H 2.39 . 2 106 . 9 LYS C C 175.2 . 1 107 . 9 LYS CA C 54.8 . 1 108 . 9 LYS CB C 35.2 . 1 109 . 9 LYS CG C 23.7 . 1 110 . 9 LYS CD C 29.1 . 1 111 . 9 LYS CE C 41.2 . 1 112 . 9 LYS N N 127.6 . 1 113 . 10 SER H H 9.35 . 1 114 . 10 SER HA H 4.21 . 1 115 . 10 SER HB2 H 4.04 . 2 116 . 10 SER HB3 H 3.63 . 2 117 . 10 SER C C 174.1 . 1 118 . 10 SER CA C 58.3 . 1 119 . 10 SER CB C 63.8 . 1 120 . 10 SER N N 120.0 . 1 121 . 11 GLU H H 8.12 . 1 122 . 11 GLU HA H 4.10 . 1 123 . 11 GLU HB2 H 1.90 . 2 124 . 11 GLU HB3 H 1.66 . 2 125 . 11 GLU HG2 H 1.98 . 1 126 . 11 GLU HG3 H 1.98 . 1 127 . 11 GLU C C 176.6 . 1 128 . 11 GLU CA C 58.6 . 1 129 . 11 GLU CB C 30.4 . 1 130 . 11 GLU CG C 37.6 . 1 131 . 11 GLU N N 129.1 . 1 132 . 12 LEU H H 8.06 . 1 133 . 12 LEU HA H 3.89 . 1 134 . 12 LEU HB2 H 1.55 . 2 135 . 12 LEU HB3 H 1.10 . 2 136 . 12 LEU HG H 1.20 . 1 137 . 12 LEU HD1 H 0.75 . 2 138 . 12 LEU HD2 H 0.57 . 2 139 . 12 LEU C C 177.8 . 1 140 . 12 LEU CA C 57.3 . 1 141 . 12 LEU CB C 42.4 . 1 142 . 12 LEU CG C 26.1 . 1 143 . 12 LEU CD1 C 23.6 . 1 144 . 12 LEU CD2 C 23.6 . 1 145 . 12 LEU N N 120.1 . 1 146 . 13 ASN H H 6.75 . 1 147 . 13 ASN HA H 4.77 . 1 148 . 13 ASN HB2 H 3.21 . 2 149 . 13 ASN HB3 H 2.43 . 2 150 . 13 ASN HD21 H 7.33 . 2 151 . 13 ASN HD22 H 6.36 . 2 152 . 13 ASN C C 175.9 . 1 153 . 13 ASN CA C 52.0 . 1 154 . 13 ASN CB C 39.7 . 1 155 . 13 ASN CG C 175.4 . 1 156 . 13 ASN N N 109.0 . 1 157 . 13 ASN ND2 N 109.1 . 1 158 . 14 GLY H H 8.04 . 1 159 . 14 GLY HA2 H 4.07 . 2 160 . 14 GLY HA3 H 3.68 . 2 161 . 14 GLY C C 174.1 . 1 162 . 14 GLY CA C 46.5 . 1 163 . 14 GLY N N 108.8 . 1 164 . 15 LYS H H 7.59 . 1 165 . 15 LYS HA H 4.45 . 1 166 . 15 LYS HB2 H 1.81 . 2 167 . 15 LYS HB3 H 1.63 . 2 168 . 15 LYS HG2 H 1.05 . 1 169 . 15 LYS HG3 H 1.05 . 1 170 . 15 LYS HD2 H 1.21 . 1 171 . 15 LYS HD3 H 1.21 . 1 172 . 15 LYS HE2 H 2.76 . 1 173 . 15 LYS HE3 H 2.76 . 1 174 . 15 LYS C C 174.6 . 1 175 . 15 LYS CA C 56.1 . 1 176 . 15 LYS CB C 32.8 . 1 177 . 15 LYS CG C 26.9 . 1 178 . 15 LYS CD C 28.3 . 1 179 . 15 LYS CE C 42.6 . 1 180 . 15 LYS N N 119.2 . 1 181 . 16 VAL H H 8.87 . 1 182 . 16 VAL HA H 5.73 . 1 183 . 16 VAL HB H 3.07 . 1 184 . 16 VAL HG1 H 1.04 . 2 185 . 16 VAL HG2 H 0.75 . 2 186 . 16 VAL C C 175.9 . 1 187 . 16 VAL CA C 58.3 . 1 188 . 16 VAL CB C 33.4 . 1 189 . 16 VAL CG1 C 21.6 . 2 190 . 16 VAL CG2 C 18.5 . 2 191 . 16 VAL N N 109.9 . 1 192 . 17 LEU H H 8.30 . 1 193 . 17 LEU HA H 4.63 . 1 194 . 17 LEU HB2 H 1.57 . 2 195 . 17 LEU HB3 H 1.38 . 2 196 . 17 LEU HG H 1.36 . 1 197 . 17 LEU HD1 H 0.23 . 1 198 . 17 LEU HD2 H 0.23 . 1 199 . 17 LEU C C 178.9 . 1 200 . 17 LEU CA C 57.1 . 1 201 . 17 LEU CB C 41.7 . 1 202 . 17 LEU CG C 28.9 . 1 203 . 17 LEU CD1 C 23.5 . 1 204 . 17 LEU CD2 C 23.5 . 1 205 . 17 LEU N N 120.1 . 1 206 . 18 ASP H H 9.28 . 1 207 . 18 ASP HA H 5.12 . 1 208 . 18 ASP HB2 H 2.75 . 2 209 . 18 ASP HB3 H 2.33 . 2 210 . 18 ASP C C 174.0 . 1 211 . 18 ASP CA C 53.4 . 1 212 . 18 ASP CB C 47.2 . 1 213 . 18 ASP N N 125.7 . 1 214 . 19 ILE H H 8.36 . 1 215 . 19 ILE HA H 4.13 . 1 216 . 19 ILE HB H 1.33 . 1 217 . 19 ILE HG12 H 1.63 . 2 218 . 19 ILE HG13 H 0.69 . 2 219 . 19 ILE HG2 H 0.80 . 1 220 . 19 ILE HD1 H 0.57 . 1 221 . 19 ILE C C 174.9 . 1 222 . 19 ILE CA C 62.7 . 1 223 . 19 ILE CB C 38.5 . 1 224 . 19 ILE CG1 C 28.2 . 1 225 . 19 ILE CG2 C 18.4 . 1 226 . 19 ILE CD1 C 15.7 . 1 227 . 19 ILE N N 122.9 . 1 228 . 20 GLU H H 8.63 . 1 229 . 20 GLU HA H 3.68 . 1 230 . 20 GLU HB2 H 2.09 . 2 231 . 20 GLU HB3 H 1.78 . 2 232 . 20 GLU HG2 H 2.04 . 2 233 . 20 GLU HG3 H 1.86 . 2 234 . 20 GLU C C 178.5 . 1 235 . 20 GLU CA C 57.9 . 1 236 . 20 GLU CB C 30.3 . 1 237 . 20 GLU CG C 35.9 . 1 238 . 20 GLU N N 131.8 . 1 239 . 21 GLY HA2 H 3.70 . 1 240 . 21 GLY HA3 H 3.70 . 1 241 . 21 GLY C C 175.4 . 1 242 . 21 GLY CA C 46.2 . 1 243 . 22 GLN H H 8.33 . 1 244 . 22 GLN HA H 3.15 . 1 245 . 22 GLN HB2 H 2.04 . 1 246 . 22 GLN HB3 H 2.04 . 1 247 . 22 GLN HG2 H 2.11 . 1 248 . 22 GLN HG3 H 2.11 . 1 249 . 22 GLN C C 173.4 . 1 250 . 22 GLN CA C 56.4 . 1 251 . 22 GLN CB C 28.0 . 1 252 . 22 GLN CG C 34.7 . 1 253 . 22 GLN N N 114.4 . 1 254 . 24 PRO HA H 4.15 . 1 255 . 24 PRO HB2 H 1.92 . 1 256 . 24 PRO HB3 H 1.92 . 1 257 . 24 PRO HG2 H 1.79 . 1 258 . 24 PRO HG3 H 1.79 . 1 259 . 24 PRO HD2 H 3.85 . 1 260 . 24 PRO HD3 H 3.85 . 1 261 . 24 PRO C C 176.5 . 1 262 . 24 PRO CA C 62.7 . 1 263 . 24 PRO CB C 32.2 . 1 264 . 24 PRO CG C 26.3 . 1 265 . 24 PRO CD C 50.3 . 1 266 . 25 ALA H H 7.96 . 1 267 . 25 ALA HA H 4.50 . 1 268 . 25 ALA HB H 1.33 . 1 269 . 25 ALA C C 176.4 . 1 270 . 25 ALA CA C 51.1 . 1 271 . 25 ALA CB C 17.9 . 1 272 . 25 ALA N N 125.3 . 1 273 . 26 PRO HA H 4.33 . 1 274 . 26 PRO HB2 H 2.22 . 2 275 . 26 PRO HB3 H 1.99 . 2 276 . 26 PRO HG2 H 2.18 . 2 277 . 26 PRO HG3 H 2.04 . 2 278 . 26 PRO HD2 H 4.03 . 2 279 . 26 PRO HD3 H 3.79 . 2 280 . 26 PRO C C 176.9 . 1 281 . 26 PRO CA C 63.9 . 1 282 . 26 PRO CB C 31.9 . 1 283 . 26 PRO CG C 27.6 . 1 284 . 26 PRO CD C 50.6 . 1 285 . 27 GLY H H 9.38 . 1 286 . 27 GLY HA2 H 4.10 . 2 287 . 27 GLY HA3 H 3.62 . 2 288 . 27 GLY C C 174.3 . 1 289 . 27 GLY CA C 45.2 . 1 290 . 27 GLY N N 112.7 . 1 291 . 28 SER H H 7.31 . 1 292 . 28 SER HA H 4.39 . 1 293 . 28 SER HB2 H 3.81 . 1 294 . 28 SER HB3 H 3.81 . 1 295 . 28 SER C C 173.1 . 1 296 . 28 SER CA C 59.1 . 1 297 . 28 SER CB C 63.5 . 1 298 . 28 SER N N 118.2 . 1 299 . 29 LYS H H 9.09 . 1 300 . 29 LYS HA H 4.44 . 1 301 . 29 LYS HB2 H 2.16 . 2 302 . 29 LYS HB3 H 1.75 . 2 303 . 29 LYS HG2 H 1.66 . 1 304 . 29 LYS HG3 H 1.66 . 1 305 . 29 LYS HD2 H 1.75 . 2 306 . 29 LYS HD3 H 1.79 . 2 307 . 29 LYS HE2 H 3.09 . 1 308 . 29 LYS HE3 H 3.09 . 1 309 . 29 LYS C C 174.9 . 1 310 . 29 LYS CA C 56.1 . 1 311 . 29 LYS CB C 32.2 . 1 312 . 29 LYS CG C 25.5 . 1 313 . 29 LYS CD C 28.4 . 1 314 . 29 LYS CE C 42.8 . 1 315 . 29 LYS N N 123.8 . 1 316 . 30 ILE H H 6.91 . 1 317 . 30 ILE HA H 4.91 . 1 318 . 30 ILE HB H 1.40 . 1 319 . 30 ILE HG12 H 1.75 . 1 320 . 30 ILE HG13 H 1.75 . 1 321 . 30 ILE HG2 H 0.79 . 1 322 . 30 ILE HD1 H 0.74 . 1 323 . 30 ILE C C 174.4 . 1 324 . 30 ILE CA C 60.3 . 1 325 . 30 ILE CB C 38.2 . 1 326 . 30 ILE CG1 C 28.7 . 1 327 . 30 ILE CG2 C 18.8 . 1 328 . 30 ILE CD1 C 15.9 . 1 329 . 30 ILE N N 120.0 . 1 330 . 31 ILE H H 9.26 . 1 331 . 31 ILE HA H 5.38 . 1 332 . 31 ILE HB H 1.80 . 1 333 . 31 ILE HG12 H 1.28 . 2 334 . 31 ILE HG13 H 1.06 . 2 335 . 31 ILE HG2 H 0.40 . 1 336 . 31 ILE HD1 H 0.69 . 1 337 . 31 ILE C C 176.4 . 1 338 . 31 ILE CA C 58.9 . 1 339 . 31 ILE CB C 43.0 . 1 340 . 31 ILE CG1 C 25.6 . 1 341 . 31 ILE CG2 C 17.4 . 1 342 . 31 ILE CD1 C 14.7 . 1 343 . 31 ILE N N 121.9 . 1 344 . 32 THR H H 8.24 . 1 345 . 32 THR HA H 5.21 . 1 346 . 32 THR HB H 4.08 . 1 347 . 32 THR HG2 H 1.16 . 1 348 . 32 THR C C 176.2 . 1 349 . 32 THR CA C 59.7 . 1 350 . 32 THR CB C 70.4 . 1 351 . 32 THR CG2 C 23.2 . 1 352 . 32 THR N N 107.2 . 1 353 . 33 TRP H H 9.61 . 1 354 . 33 TRP HA H 4.59 . 1 355 . 33 TRP HB2 H 2.97 . 1 356 . 33 TRP HB3 H 2.97 . 1 357 . 33 TRP HD1 H 7.27 . 1 358 . 33 TRP HE1 H 10.33 . 1 359 . 33 TRP HE3 H 8.07 . 1 360 . 33 TRP HZ2 H 7.45 . 1 361 . 33 TRP HZ3 H 6.95 . 1 362 . 33 TRP HH2 H 7.19 . 1 363 . 33 TRP C C 173.2 . 1 364 . 33 TRP CA C 56.5 . 1 365 . 33 TRP CB C 35.0 . 1 366 . 33 TRP CD1 C 128.0 . 1 367 . 33 TRP CE3 C 137.4 . 1 368 . 33 TRP CZ2 C 114.4 . 1 369 . 33 TRP CZ3 C 122.0 . 1 370 . 33 TRP CH2 C 124.8 . 1 371 . 33 TRP N N 123.1 . 1 372 . 33 TRP NE1 N 128.6 . 1 373 . 34 ASP H H 6.25 . 1 374 . 34 ASP HA H 4.39 . 1 375 . 34 ASP HB2 H 2.42 . 2 376 . 34 ASP HB3 H 2.01 . 2 377 . 34 ASP C C 176.2 . 1 378 . 34 ASP CA C 55.9 . 1 379 . 34 ASP CB C 40.9 . 1 380 . 34 ASP N N 123.9 . 1 381 . 35 GLN H H 8.80 . 1 382 . 35 GLN HA H 4.21 . 1 383 . 35 GLN HB2 H 1.99 . 2 384 . 35 GLN HB3 H 1.66 . 2 385 . 35 GLN HG2 H 1.88 . 1 386 . 35 GLN HG3 H 1.88 . 1 387 . 35 GLN HE21 H 3.39 . 2 388 . 35 GLN HE22 H 7.07 . 2 389 . 35 GLN C C 175.7 . 1 390 . 35 GLN CA C 57.3 . 1 391 . 35 GLN CB C 29.6 . 1 392 . 35 GLN CG C 33.1 . 1 393 . 35 GLN N N 123.3 . 1 394 . 35 GLN NE2 N 107.3 . 1 395 . 36 LYS H H 10.28 . 1 396 . 36 LYS HA H 4.57 . 1 397 . 36 LYS HB2 H 1.76 . 2 398 . 36 LYS HB3 H 1.61 . 2 399 . 36 LYS HG2 H 1.52 . 1 400 . 36 LYS HG3 H 1.52 . 1 401 . 36 LYS HD2 H 1.66 . 1 402 . 36 LYS HD3 H 1.66 . 1 403 . 36 LYS HE2 H 2.98 . 1 404 . 36 LYS HE3 H 2.98 . 1 405 . 36 LYS C C 175.2 . 1 406 . 36 LYS CA C 55.1 . 1 407 . 36 LYS CB C 35.0 . 1 408 . 36 LYS CG C 25.2 . 1 409 . 36 LYS CD C 29.6 . 1 410 . 36 LYS CE C 41.4 . 1 411 . 36 LYS N N 131.5 . 1 412 . 37 LYS H H 8.54 . 1 413 . 37 LYS HA H 4.45 . 1 414 . 37 LYS HB2 H 1.76 . 1 415 . 37 LYS HB3 H 1.76 . 1 416 . 37 LYS HG2 H 1.34 . 1 417 . 37 LYS HG3 H 1.34 . 1 418 . 37 LYS HD2 H 1.68 . 1 419 . 37 LYS HD3 H 1.68 . 1 420 . 37 LYS HE2 H 2.79 . 1 421 . 37 LYS HE3 H 2.79 . 1 422 . 37 LYS C C 175.8 . 1 423 . 37 LYS CA C 55.5 . 1 424 . 37 LYS CB C 35.9 . 1 425 . 37 LYS CG C 24.9 . 1 426 . 37 LYS CD C 29.3 . 1 427 . 37 LYS CE C 42.1 . 1 428 . 37 LYS N N 120.4 . 1 429 . 38 GLY H H 8.80 . 1 430 . 38 GLY HA2 H 4.55 . 2 431 . 38 GLY HA3 H 3.77 . 2 432 . 38 GLY C C 173.7 . 1 433 . 38 GLY CA C 44.4 . 1 434 . 38 GLY N N 110.6 . 1 435 . 39 PRO HA H 4.12 . 1 436 . 39 PRO HB2 H 2.33 . 2 437 . 39 PRO HB3 H 1.87 . 2 438 . 39 PRO HG2 H 2.04 . 2 439 . 39 PRO HG3 H 1.99 . 2 440 . 39 PRO HD2 H 3.81 . 2 441 . 39 PRO HD3 H 3.62 . 2 442 . 39 PRO C C 178.8 . 1 443 . 39 PRO CA C 65.4 . 1 444 . 39 PRO CB C 32.2 . 1 445 . 39 PRO CG C 27.5 . 1 446 . 39 PRO CD C 49.8 . 1 447 . 40 THR H H 8.12 . 1 448 . 40 THR HA H 4.21 . 1 449 . 40 THR HB H 4.44 . 1 450 . 40 THR HG2 H 1.22 . 1 451 . 40 THR C C 174.4 . 1 452 . 40 THR CA C 62.6 . 1 453 . 40 THR CB C 68.7 . 1 454 . 40 THR CG2 C 21.6 . 1 455 . 40 THR N N 106.5 . 1 456 . 41 ALA H H 7.84 . 1 457 . 41 ALA HA H 3.97 . 1 458 . 41 ALA HB H 1.37 . 1 459 . 41 ALA C C 176.3 . 1 460 . 41 ALA CA C 52.4 . 1 461 . 41 ALA CB C 19.1 . 1 462 . 41 ALA N N 122.1 . 1 463 . 42 VAL H H 6.60 . 1 464 . 42 VAL HA H 3.33 . 1 465 . 42 VAL HB H 1.98 . 1 466 . 42 VAL HG1 H 0.64 . 1 467 . 42 VAL HG2 H 0.64 . 1 468 . 42 VAL C C 173.2 . 1 469 . 42 VAL CA C 65.6 . 1 470 . 42 VAL CB C 31.3 . 1 471 . 42 VAL CG1 C 20.9 . 2 472 . 42 VAL CG2 C 19.5 . 2 473 . 42 VAL N N 116.1 . 1 474 . 43 ASN H H 7.70 . 1 475 . 43 ASN HA H 4.26 . 1 476 . 43 ASN HB2 H 2.95 . 2 477 . 43 ASN HB3 H 1.99 . 2 478 . 43 ASN C C 172.6 . 1 479 . 43 ASN CA C 54.3 . 1 480 . 43 ASN CB C 37.9 . 1 481 . 43 ASN N N 114.2 . 1 482 . 44 GLN H H 8.13 . 1 483 . 44 GLN HA H 4.98 . 1 484 . 44 GLN HB2 H 2.64 . 2 485 . 44 GLN HB3 H 2.29 . 2 486 . 44 GLN HG2 H 2.33 . 2 487 . 44 GLN HG3 H 2.04 . 2 488 . 44 GLN C C 174.1 . 1 489 . 44 GLN CA C 53.7 . 1 490 . 44 GLN CB C 30.2 . 1 491 . 44 GLN CG C 33.6 . 1 492 . 44 GLN N N 116.7 . 1 493 . 45 LEU H H 6.53 . 1 494 . 45 LEU HA H 4.78 . 1 495 . 45 LEU HB2 H 1.23 . 2 496 . 45 LEU HB3 H 0.63 . 2 497 . 45 LEU HG H 1.12 . 1 498 . 45 LEU HD1 H 0.34 . 2 499 . 45 LEU HD2 H -0.14 . 2 500 . 45 LEU C C 176.2 . 1 501 . 45 LEU CA C 52.7 . 1 502 . 45 LEU CB C 46.0 . 1 503 . 45 LEU CG C 26.2 . 1 504 . 45 LEU CD1 C 21.8 . 1 505 . 45 LEU CD2 C 21.8 . 1 506 . 45 LEU N N 118.2 . 1 507 . 46 TRP H H 8.91 . 1 508 . 46 TRP HA H 5.21 . 1 509 . 46 TRP HB2 H 2.98 . 2 510 . 46 TRP HB3 H 2.01 . 2 511 . 46 TRP HD1 H 7.43 . 1 512 . 46 TRP HE1 H 9.01 . 1 513 . 46 TRP HE3 H 7.59 . 1 514 . 46 TRP HZ2 H 7.40 . 1 515 . 46 TRP HZ3 H 7.07 . 1 516 . 46 TRP HH2 H 7.15 . 1 517 . 46 TRP C C 172.5 . 1 518 . 46 TRP CA C 55.6 . 1 519 . 46 TRP CB C 33.0 . 1 520 . 46 TRP CD1 C 129.7 . 1 521 . 46 TRP CE3 C 120.7 . 1 522 . 46 TRP CZ2 C 114.4 . 1 523 . 46 TRP CZ3 C 121.0 . 1 524 . 46 TRP CH2 C 124.5 . 1 525 . 46 TRP N N 124.6 . 1 526 . 46 TRP NE1 N 126.4 . 1 527 . 47 TYR H H 9.24 . 1 528 . 47 TYR HA H 5.02 . 1 529 . 47 TYR HB2 H 2.80 . 1 530 . 47 TYR HB3 H 2.80 . 1 531 . 47 TYR HD1 H 6.72 . 1 532 . 47 TYR HD2 H 6.72 . 1 533 . 47 TYR HE1 H 6.62 . 1 534 . 47 TYR HE2 H 6.62 . 1 535 . 47 TYR C C 173.3 . 1 536 . 47 TYR CA C 56.1 . 1 537 . 47 TYR CB C 41.2 . 1 538 . 47 TYR CD1 C 133.4 . 1 539 . 47 TYR CD2 C 133.4 . 1 540 . 47 TYR CE1 C 118.0 . 1 541 . 47 TYR CE2 C 118.0 . 1 542 . 47 TYR N N 115.7 . 1 543 . 48 THR H H 8.64 . 1 544 . 48 THR HA H 5.14 . 1 545 . 48 THR HB H 3.94 . 1 546 . 48 THR HG2 H 1.22 . 1 547 . 48 THR C C 175.3 . 1 548 . 48 THR CA C 58.8 . 1 549 . 48 THR CB C 71.0 . 1 550 . 48 THR CG2 C 22.3 . 1 551 . 48 THR N N 107.7 . 1 552 . 49 ASP H H 8.76 . 1 553 . 49 ASP HA H 4.62 . 1 554 . 49 ASP HB2 H 2.45 . 1 555 . 49 ASP HB3 H 2.45 . 1 556 . 49 ASP C C 178.4 . 1 557 . 49 ASP CA C 52.5 . 1 558 . 49 ASP CB C 40.9 . 1 559 . 49 ASP N N 124.6 . 1 560 . 50 GLN H H 8.45 . 1 561 . 50 GLN HA H 4.09 . 1 562 . 50 GLN HB2 H 2.10 . 1 563 . 50 GLN HB3 H 2.10 . 1 564 . 50 GLN HG2 H 2.45 . 1 565 . 50 GLN HG3 H 2.45 . 1 566 . 50 GLN HE21 H 7.56 . 2 567 . 50 GLN HE22 H 6.84 . 2 568 . 50 GLN C C 177.2 . 1 569 . 50 GLN CA C 58.9 . 1 570 . 50 GLN CB C 28.4 . 1 571 . 50 GLN CG C 34.1 . 1 572 . 50 GLN CD C 180.6 . 1 573 . 50 GLN N N 116.6 . 1 574 . 50 GLN NE2 N 112.4 . 1 575 . 51 GLN H H 8.41 . 1 576 . 51 GLN HA H 4.39 . 1 577 . 51 GLN HB2 H 2.13 . 1 578 . 51 GLN HB3 H 2.13 . 1 579 . 51 GLN HG2 H 2.33 . 2 580 . 51 GLN HG3 H 2.18 . 2 581 . 51 GLN HE21 H 7.52 . 2 582 . 51 GLN HE22 H 6.71 . 2 583 . 51 GLN C C 175.3 . 1 584 . 51 GLN CA C 55.9 . 1 585 . 51 GLN CB C 29.7 . 1 586 . 51 GLN CG C 35.1 . 1 587 . 51 GLN CD C 180.8 . 1 588 . 51 GLN N N 118.2 . 1 589 . 51 GLN NE2 N 111.2 . 1 590 . 52 GLY H H 8.10 . 1 591 . 52 GLY HA2 H 4.27 . 2 592 . 52 GLY HA3 H 3.51 . 2 593 . 52 GLY C C 172.8 . 1 594 . 52 GLY CA C 45.1 . 1 595 . 52 GLY N N 108.0 . 1 596 . 53 VAL H H 7.97 . 1 597 . 53 VAL HA H 4.09 . 1 598 . 53 VAL HB H 2.33 . 1 599 . 53 VAL HG1 H 0.98 . 2 600 . 53 VAL HG2 H 0.69 . 2 601 . 53 VAL C C 176.4 . 1 602 . 53 VAL CA C 63.0 . 1 603 . 53 VAL CB C 31.2 . 1 604 . 53 VAL CG1 C 22.9 . 1 605 . 53 VAL CG2 C 22.9 . 1 606 . 53 VAL N N 122.8 . 1 607 . 54 ILE H H 8.69 . 1 608 . 54 ILE HA H 4.15 . 1 609 . 54 ILE HB H 1.39 . 1 610 . 54 ILE HG12 H 1.98 . 1 611 . 54 ILE HG13 H 1.98 . 1 612 . 54 ILE HG2 H 0.69 . 1 613 . 54 ILE HD1 H 0.60 . 1 614 . 54 ILE C C 174.9 . 1 615 . 54 ILE CA C 63.0 . 1 616 . 54 ILE CB C 39.5 . 1 617 . 54 ILE CG1 C 30.1 . 1 618 . 54 ILE CG2 C 19.0 . 1 619 . 54 ILE CD1 C 15.1 . 1 620 . 54 ILE N N 128.1 . 1 621 . 55 ARG H H 8.82 . 1 622 . 55 ARG HA H 5.15 . 1 623 . 55 ARG HB2 H 1.11 . 2 624 . 55 ARG HB3 H 0.28 . 2 625 . 55 ARG HG2 H 1.39 . 2 626 . 55 ARG HG3 H 1.16 . 2 627 . 55 ARG HD2 H 3.05 . 2 628 . 55 ARG HD3 H 2.80 . 2 629 . 55 ARG HE H 6.85 . 1 630 . 55 ARG C C 176.2 . 1 631 . 55 ARG CA C 51.7 . 1 632 . 55 ARG CB C 34.7 . 1 633 . 55 ARG CG C 27.9 . 1 634 . 55 ARG CD C 42.8 . 1 635 . 55 ARG CZ C 159.8 . 1 636 . 55 ARG N N 123.1 . 1 637 . 55 ARG NE N 84.2 . 1 638 . 56 SER H H 8.95 . 1 639 . 56 SER HA H 4.02 . 1 640 . 56 SER HB2 H 3.65 . 2 641 . 56 SER HB3 H 3.45 . 2 642 . 56 SER C C 177.2 . 1 643 . 56 SER CA C 57.4 . 1 644 . 56 SER CB C 63.6 . 1 645 . 56 SER N N 113.1 . 1 646 . 57 LYS H H 8.31 . 1 647 . 57 LYS HA H 3.86 . 1 648 . 57 LYS HB2 H 1.46 . 2 649 . 57 LYS HB3 H 0.94 . 2 650 . 57 LYS HG2 H 0.57 . 1 651 . 57 LYS HG3 H 0.57 . 1 652 . 57 LYS HD2 H 0.83 . 1 653 . 57 LYS HD3 H 0.83 . 1 654 . 57 LYS HE2 H 2.11 . 2 655 . 57 LYS HE3 H 1.82 . 2 656 . 57 LYS C C 176.7 . 1 657 . 57 LYS CA C 59.0 . 1 658 . 57 LYS CB C 33.6 . 1 659 . 57 LYS CG C 26.3 . 1 660 . 57 LYS CD C 30.3 . 1 661 . 57 LYS CE C 42.0 . 1 662 . 57 LYS N N 127.7 . 1 663 . 58 LEU H H 8.06 . 1 664 . 58 LEU HA H 3.48 . 1 665 . 58 LEU HB2 H 1.40 . 2 666 . 58 LEU HB3 H 0.74 . 2 667 . 58 LEU HG H 1.01 . 1 668 . 58 LEU HD1 H 0.62 . 2 669 . 58 LEU HD2 H 0.30 . 2 670 . 58 LEU C C 176.7 . 1 671 . 58 LEU CA C 57.4 . 1 672 . 58 LEU CB C 42.5 . 1 673 . 58 LEU N N 118.2 . 1 674 . 59 ASN HA H 4.39 . 1 675 . 59 ASN HB2 H 2.16 . 2 676 . 59 ASN HB3 H 2.03 . 2 677 . 59 ASN C C 173.8 . 1 678 . 59 ASN CA C 51.6 . 1 679 . 59 ASN CB C 38.0 . 1 680 . 60 ASP HA H 4.74 . 1 681 . 60 ASP HB2 H 3.15 . 2 682 . 60 ASP HB3 H 3.04 . 2 683 . 60 ASP C C 176.4 . 1 684 . 60 ASP CA C 57.1 . 1 685 . 60 ASP CB C 40.7 . 1 686 . 61 PHE H H 8.00 . 1 687 . 61 PHE HA H 4.91 . 1 688 . 61 PHE HB2 H 3.38 . 2 689 . 61 PHE HB3 H 3.21 . 2 690 . 61 PHE HD1 H 6.93 . 1 691 . 61 PHE HD2 H 6.93 . 1 692 . 61 PHE HE1 H 7.19 . 1 693 . 61 PHE HE2 H 7.19 . 1 694 . 61 PHE HZ H 7.29 . 1 695 . 61 PHE C C 174.6 . 1 696 . 61 PHE CA C 55.1 . 1 697 . 61 PHE CB C 37.1 . 1 698 . 61 PHE CD1 C 129.1 . 1 699 . 61 PHE CD2 C 129.1 . 1 700 . 61 PHE CE1 C 130.8 . 1 701 . 61 PHE CE2 C 130.8 . 1 702 . 61 PHE CZ C 128.8 . 1 703 . 61 PHE N N 120.4 . 1 704 . 62 ALA H H 8.69 . 1 705 . 62 ALA HA H 5.04 . 1 706 . 62 ALA HB H 1.87 . 1 707 . 62 ALA C C 176.4 . 1 708 . 62 ALA CA C 50.2 . 1 709 . 62 ALA CB C 22.8 . 1 710 . 62 ALA N N 120.6 . 1 711 . 63 ILE H H 7.79 . 1 712 . 63 ILE HA H 3.62 . 1 713 . 63 ILE HB H 1.57 . 1 714 . 63 ILE HG12 H 0.31 . 1 715 . 63 ILE HG13 H 0.31 . 1 716 . 63 ILE HG2 H -0.14 . 1 717 . 63 ILE HD1 H -0.17 . 1 718 . 63 ILE C C 173.3 . 1 719 . 63 ILE CA C 63.0 . 1 720 . 63 ILE CB C 38.2 . 1 721 . 63 ILE CG1 C 28.2 . 1 722 . 63 ILE CG2 C 17.1 . 1 723 . 63 ILE CD1 C 12.3 . 1 724 . 63 ILE N N 119.8 . 1 725 . 64 ASP H H 9.03 . 1 726 . 64 ASP HA H 5.38 . 1 727 . 64 ASP HB2 H 2.89 . 2 728 . 64 ASP HB3 H 2.05 . 2 729 . 64 ASP C C 175.4 . 1 730 . 64 ASP CA C 53.3 . 1 731 . 64 ASP CB C 45.8 . 1 732 . 64 ASP N N 122.8 . 1 733 . 65 ALA H H 7.94 . 1 734 . 65 ALA HA H 4.92 . 1 735 . 65 ALA HB H 1.49 . 1 736 . 65 ALA C C 176.2 . 1 737 . 65 ALA CA C 49.8 . 1 738 . 65 ALA CB C 22.0 . 1 739 . 65 ALA N N 128.2 . 1 740 . 66 SER H H 9.01 . 1 741 . 66 SER HA H 4.02 . 1 742 . 66 SER HB2 H 3.59 . 2 743 . 66 SER HB3 H 3.51 . 2 744 . 66 SER C C 174.3 . 1 745 . 66 SER CA C 62.0 . 1 746 . 66 SER CB C 62.3 . 1 747 . 66 SER N N 117.4 . 1 748 . 67 HIS H H 8.84 . 1 749 . 67 HIS HA H 4.91 . 1 750 . 67 HIS HB2 H 3.50 . 2 751 . 67 HIS HB3 H 3.16 . 2 752 . 67 HIS HD2 H 7.21 . 1 753 . 67 HIS HE1 H 8.32 . 1 754 . 67 HIS C C 173.2 . 1 755 . 67 HIS CA C 53.6 . 1 756 . 67 HIS CB C 29.9 . 1 757 . 67 HIS CD2 C 118.7 . 1 758 . 67 HIS CE1 C 136.2 . 1 759 . 67 HIS N N 120.0 . 1 760 . 68 GLU H H 8.53 . 1 761 . 68 GLU HA H 4.01 . 1 762 . 68 GLU HB2 H 2.10 . 1 763 . 68 GLU HB3 H 2.10 . 1 764 . 68 GLU HG2 H 2.35 . 1 765 . 68 GLU HG3 H 2.35 . 1 766 . 68 GLU C C 176.3 . 1 767 . 68 GLU CA C 60.2 . 1 768 . 68 GLU CB C 30.0 . 1 769 . 68 GLU CG C 36.8 . 1 770 . 68 GLU N N 117.8 . 1 771 . 69 GLN H H 7.47 . 1 772 . 69 GLN HA H 5.03 . 1 773 . 69 GLN HB2 H 2.10 . 2 774 . 69 GLN HB3 H 1.91 . 2 775 . 69 GLN HG2 H 2.30 . 2 776 . 69 GLN HG3 H 2.18 . 2 777 . 69 GLN HE21 H 7.20 . 2 778 . 69 GLN HE22 H 6.46 . 2 779 . 69 GLN C C 177.8 . 1 780 . 69 GLN CA C 53.4 . 1 781 . 69 GLN CB C 30.0 . 1 782 . 69 GLN CG C 33.4 . 1 783 . 69 GLN CD C 179.2 . 1 784 . 69 GLN N N 112.7 . 1 785 . 69 GLN NE2 N 109.7 . 1 786 . 70 ILE H H 8.92 . 1 787 . 70 ILE HA H 4.75 . 1 788 . 70 ILE HB H 1.68 . 1 789 . 70 ILE HG12 H 1.05 . 1 790 . 70 ILE HG13 H 1.05 . 1 791 . 70 ILE HG2 H 0.51 . 1 792 . 70 ILE HD1 H 0.36 . 1 793 . 70 ILE C C 175.2 . 1 794 . 70 ILE CA C 62.5 . 1 795 . 70 ILE CB C 38.2 . 1 796 . 70 ILE CG1 C 26.4 . 1 797 . 70 ILE CG2 C 18.3 . 1 798 . 70 ILE CD1 C 16.4 . 1 799 . 70 ILE N N 119.4 . 1 800 . 71 GLU H H 8.67 . 1 801 . 71 GLU HA H 5.44 . 1 802 . 71 GLU HB2 H 2.05 . 2 803 . 71 GLU HB3 H 1.69 . 2 804 . 71 GLU HG2 H 2.39 . 2 805 . 71 GLU HG3 H 2.08 . 2 806 . 71 GLU C C 174.5 . 1 807 . 71 GLU CA C 53.7 . 1 808 . 71 GLU CB C 34.9 . 1 809 . 71 GLU CG C 35.2 . 1 810 . 71 GLU N N 118.6 . 1 811 . 72 THR H H 9.04 . 1 812 . 72 THR HA H 5.26 . 1 813 . 72 THR HB H 4.50 . 1 814 . 72 THR HG2 H 1.34 . 1 815 . 72 THR C C 176.1 . 1 816 . 72 THR CA C 59.9 . 1 817 . 72 THR CB C 70.2 . 1 818 . 72 THR CG2 C 23.9 . 1 819 . 72 THR N N 110.7 . 1 820 . 73 GLN H H 8.52 . 1 821 . 73 GLN HA H 4.36 . 1 822 . 73 GLN HB2 H 2.09 . 2 823 . 73 GLN HB3 H 1.11 . 2 824 . 73 GLN HG2 H 2.38 . 2 825 . 73 GLN HG3 H 2.24 . 2 826 . 73 GLN C C 171.6 . 1 827 . 73 GLN CA C 53.8 . 1 828 . 73 GLN CB C 33.8 . 1 829 . 73 GLN N N 121.2 . 1 830 . 74 PRO HA H 4.10 . 1 831 . 74 PRO HB2 H 2.39 . 1 832 . 74 PRO HB3 H 2.39 . 1 833 . 74 PRO HG2 H 2.04 . 1 834 . 74 PRO HG3 H 2.04 . 1 835 . 74 PRO HD2 H 3.74 . 1 836 . 74 PRO HD3 H 3.74 . 1 837 . 74 PRO C C 175.9 . 1 838 . 74 PRO CA C 62.2 . 1 839 . 74 PRO CB C 31.4 . 1 840 . 74 PRO CG C 27.4 . 1 841 . 74 PRO CD C 49.8 . 1 842 . 75 PHE H H 9.56 . 1 843 . 75 PHE HA H 3.80 . 1 844 . 75 PHE HB2 H 3.06 . 2 845 . 75 PHE HB3 H 2.92 . 2 846 . 75 PHE HD1 H 7.18 . 1 847 . 75 PHE HD2 H 7.18 . 1 848 . 75 PHE HE1 H 7.26 . 1 849 . 75 PHE HE2 H 7.26 . 1 850 . 75 PHE HZ H 7.19 . 1 851 . 75 PHE C C 174.1 . 1 852 . 75 PHE CA C 61.5 . 1 853 . 75 PHE CB C 38.7 . 1 854 . 75 PHE CD1 C 130.7 . 1 855 . 75 PHE CD2 C 130.7 . 1 856 . 75 PHE CE1 C 129.8 . 1 857 . 75 PHE CE2 C 129.8 . 1 858 . 75 PHE CZ C 127.1 . 1 859 . 75 PHE N N 122.4 . 1 860 . 77 PRO HA H 3.92 . 1 861 . 77 PRO HB2 H 2.37 . 2 862 . 77 PRO HB3 H 1.93 . 2 863 . 77 PRO HG2 H 2.02 . 2 864 . 77 PRO HG3 H 1.81 . 2 865 . 77 PRO HD2 H 3.85 . 2 866 . 77 PRO HD3 H 3.33 . 2 867 . 77 PRO C C 176.2 . 1 868 . 77 PRO CA C 63.9 . 1 869 . 77 PRO CB C 32.3 . 1 870 . 77 PRO CG C 26.4 . 1 871 . 77 PRO CD C 51.5 . 1 872 . 78 ASN H H 8.17 . 1 873 . 78 ASN HA H 4.63 . 1 874 . 78 ASN HB2 H 2.81 . 2 875 . 78 ASN HB3 H 2.57 . 2 876 . 78 ASN HD21 H 7.74 . 2 877 . 78 ASN HD22 H 6.87 . 2 878 . 78 ASN C C 173.6 . 1 879 . 78 ASN CA C 53.0 . 1 880 . 78 ASN CB C 39.2 . 1 881 . 78 ASN CG C 177.2 . 1 882 . 78 ASN N N 115.5 . 1 883 . 78 ASN ND2 N 114.7 . 1 884 . 79 ASN H H 7.01 . 1 885 . 79 ASN HA H 5.09 . 1 886 . 79 ASN HB2 H 2.34 . 1 887 . 79 ASN HB3 H 2.34 . 1 888 . 79 ASN HD21 H 7.86 . 2 889 . 79 ASN HD22 H 6.60 . 2 890 . 79 ASN C C 174.2 . 1 891 . 79 ASN CA C 49.1 . 1 892 . 79 ASN CB C 39.3 . 1 893 . 79 ASN CG C 178.5 . 1 894 . 79 ASN N N 117.0 . 1 895 . 79 ASN ND2 N 111.0 . 1 896 . 80 PRO HA H 4.22 . 1 897 . 80 PRO HB2 H 2.31 . 2 898 . 80 PRO HB3 H 1.77 . 2 899 . 80 PRO HG2 H 1.94 . 1 900 . 80 PRO HG3 H 1.94 . 1 901 . 80 PRO HD2 H 3.86 . 1 902 . 80 PRO HD3 H 3.86 . 1 903 . 80 PRO C C 178.2 . 1 904 . 80 PRO CA C 64.6 . 1 905 . 80 PRO CB C 32.5 . 1 906 . 80 PRO CG C 27.1 . 1 907 . 80 PRO CD C 51.4 . 1 908 . 81 LYS H H 7.64 . 1 909 . 81 LYS HA H 4.15 . 1 910 . 81 LYS HB2 H 1.86 . 2 911 . 81 LYS HB3 H 1.68 . 2 912 . 81 LYS HG2 H 1.45 . 1 913 . 81 LYS HG3 H 1.45 . 1 914 . 81 LYS HD2 H 1.65 . 1 915 . 81 LYS HD3 H 1.65 . 1 916 . 81 LYS HE2 H 2.94 . 1 917 . 81 LYS HE3 H 2.94 . 1 918 . 81 LYS C C 177.5 . 1 919 . 81 LYS CA C 55.6 . 1 920 . 81 LYS CB C 31.2 . 1 921 . 81 LYS CG C 25.3 . 1 922 . 81 LYS CD C 28.3 . 1 923 . 81 LYS CE C 42.4 . 1 924 . 81 LYS N N 112.0 . 1 925 . 82 ARG H H 7.53 . 1 926 . 82 ARG HA H 6.44 . 1 927 . 82 ARG HB2 H 2.28 . 2 928 . 82 ARG HB3 H 1.57 . 2 929 . 82 ARG HG2 H 1.80 . 2 930 . 82 ARG HG3 H 1.52 . 2 931 . 82 ARG HD2 H 3.24 . 2 932 . 82 ARG HD3 H 2.86 . 2 933 . 82 ARG HE H 8.38 . 1 934 . 82 ARG C C 173.6 . 1 935 . 82 ARG CA C 55.7 . 1 936 . 82 ARG CB C 31.4 . 1 937 . 82 ARG CG C 28.7 . 1 938 . 82 ARG CD C 45.2 . 1 939 . 82 ARG CZ C 159.3 . 1 940 . 82 ARG N N 118.1 . 1 941 . 82 ARG NE N 86.6 . 1 942 . 83 ALA H H 6.60 . 1 943 . 83 ALA HA H 4.93 . 1 944 . 83 ALA HB H 1.39 . 1 945 . 83 ALA C C 172.4 . 1 946 . 83 ALA CA C 50.7 . 1 947 . 83 ALA CB C 20.1 . 1 948 . 83 ALA N N 122.8 . 1 949 . 84 TRP H H 7.06 . 1 950 . 84 TRP HA H 4.79 . 1 951 . 84 TRP HB2 H 2.80 . 1 952 . 84 TRP HB3 H 2.80 . 1 953 . 84 TRP HD1 H 7.21 . 1 954 . 84 TRP HE1 H 8.94 . 1 955 . 84 TRP HE3 H 7.64 . 1 956 . 84 TRP HZ2 H 7.43 . 1 957 . 84 TRP HZ3 H 7.10 . 1 958 . 84 TRP HH2 H 7.18 . 1 959 . 84 TRP C C 174.4 . 1 960 . 84 TRP CA C 55.7 . 1 961 . 84 TRP CB C 30.9 . 1 962 . 84 TRP CD1 C 128.8 . 1 963 . 84 TRP CE3 C 120.9 . 1 964 . 84 TRP CZ2 C 114.4 . 1 965 . 84 TRP CZ3 C 121.9 . 1 966 . 84 TRP CH2 C 124.8 . 1 967 . 84 TRP N N 127.0 . 1 968 . 84 TRP NE1 N 126.3 . 1 969 . 85 ILE H H 9.45 . 1 970 . 85 ILE HA H 4.97 . 1 971 . 85 ILE HB H 1.88 . 1 972 . 85 ILE HG12 H 1.10 . 1 973 . 85 ILE HG13 H 1.10 . 1 974 . 85 ILE HG2 H 0.72 . 1 975 . 85 ILE HD1 H 0.70 . 1 976 . 85 ILE C C 174.9 . 1 977 . 85 ILE CA C 58.4 . 1 978 . 85 ILE CB C 42.4 . 1 979 . 85 ILE CG1 C 25.9 . 1 980 . 85 ILE CG2 C 18.8 . 1 981 . 85 ILE CD1 C 14.0 . 1 982 . 85 ILE N N 114.7 . 1 983 . 86 VAL H H 8.74 . 1 984 . 86 VAL HA H 4.03 . 1 985 . 86 VAL HB H 1.92 . 1 986 . 86 VAL HG1 H 0.81 . 2 987 . 86 VAL HG2 H 0.69 . 2 988 . 86 VAL C C 176.2 . 1 989 . 86 VAL CA C 63.3 . 1 990 . 86 VAL CB C 31.6 . 1 991 . 86 VAL CG1 C 21.1 . 1 992 . 86 VAL CG2 C 21.1 . 1 993 . 86 VAL N N 121.2 . 1 994 . 87 SER H H 8.61 . 1 995 . 87 SER HA H 4.70 . 1 996 . 87 SER HB2 H 3.74 . 2 997 . 87 SER HB3 H 3.17 . 2 998 . 87 SER C C 175.0 . 1 999 . 87 SER CA C 55.5 . 1 1000 . 87 SER CB C 62.7 . 1 1001 . 87 SER N N 123.5 . 1 1002 . 88 GLY H H 9.10 . 1 1003 . 88 GLY HA2 H 4.04 . 2 1004 . 88 GLY HA3 H 3.62 . 2 1005 . 88 GLY C C 174.1 . 1 1006 . 88 GLY CA C 47.7 . 1 1007 . 88 GLY N N 119.4 . 1 1008 . 89 ASN H H 8.70 . 1 1009 . 89 ASN HA H 5.09 . 1 1010 . 89 ASN HB2 H 2.99 . 1 1011 . 89 ASN HB3 H 2.99 . 1 1012 . 89 ASN HD21 H 7.84 . 2 1013 . 89 ASN HD22 H 6.90 . 2 1014 . 89 ASN C C 173.6 . 1 1015 . 89 ASN CA C 53.0 . 1 1016 . 89 ASN CB C 38.7 . 1 1017 . 89 ASN N N 126.3 . 1 1018 . 89 ASN ND2 N 111.1 . 1 1019 . 90 THR H H 7.86 . 1 1020 . 90 THR HA H 5.09 . 1 1021 . 90 THR HB H 4.46 . 1 1022 . 90 THR HG2 H 1.35 . 1 1023 . 90 THR C C 172.3 . 1 1024 . 90 THR CA C 59.8 . 1 1025 . 90 THR CB C 73.5 . 1 1026 . 90 THR CG2 C 22.0 . 1 1027 . 90 THR N N 108.4 . 1 1028 . 91 ILE H H 8.98 . 1 1029 . 91 ILE HA H 4.91 . 1 1030 . 91 ILE HB H 1.57 . 1 1031 . 91 ILE HG12 H 1.15 . 1 1032 . 91 ILE HG13 H 1.15 . 1 1033 . 91 ILE HG2 H 0.63 . 1 1034 . 91 ILE HD1 H 0.43 . 1 1035 . 91 ILE C C 174.6 . 1 1036 . 91 ILE CA C 58.4 . 1 1037 . 91 ILE CB C 35.2 . 1 1038 . 91 ILE CG1 C 26.7 . 1 1039 . 91 ILE CG2 C 18.4 . 1 1040 . 91 ILE CD1 C 9.7 . 1 1041 . 91 ILE N N 122.8 . 1 1042 . 92 ALA H H 8.92 . 1 1043 . 92 ALA HA H 5.73 . 1 1044 . 92 ALA HB H 1.33 . 1 1045 . 92 ALA C C 175.3 . 1 1046 . 92 ALA CA C 50.1 . 1 1047 . 92 ALA CB C 25.0 . 1 1048 . 92 ALA N N 127.8 . 1 1049 . 93 GLN H H 8.06 . 1 1050 . 93 GLN HA H 2.96 . 1 1051 . 93 GLN HB2 H 1.87 . 2 1052 . 93 GLN HB3 H 1.22 . 2 1053 . 93 GLN HG2 H 1.39 . 2 1054 . 93 GLN HG3 H 1.26 . 2 1055 . 93 GLN HE21 H 6.58 . 2 1056 . 93 GLN HE22 H 5.92 . 2 1057 . 93 GLN C C 177.7 . 1 1058 . 93 GLN CA C 56.0 . 1 1059 . 93 GLN CB C 28.6 . 1 1060 . 93 GLN CG C 35.1 . 1 1061 . 93 GLN CD C 178.4 . 1 1062 . 93 GLN N N 124.3 . 1 1063 . 93 GLN NE2 N 106.9 . 1 1064 . 94 LEU H H 8.17 . 1 1065 . 94 LEU HA H 3.56 . 1 1066 . 94 LEU HB2 H 1.73 . 2 1067 . 94 LEU HB3 H 1.10 . 2 1068 . 94 LEU HG H 1.41 . 1 1069 . 94 LEU HD1 H 0.79 . 2 1070 . 94 LEU HD2 H 0.72 . 2 1071 . 94 LEU C C 178.8 . 1 1072 . 94 LEU CA C 59.2 . 1 1073 . 94 LEU CB C 42.7 . 1 1074 . 94 LEU CG C 27.1 . 1 1075 . 94 LEU CD1 C 25.5 . 2 1076 . 94 LEU CD2 C 24.3 . 2 1077 . 94 LEU N N 128.6 . 1 1078 . 95 SER H H 8.19 . 1 1079 . 95 SER HA H 4.16 . 1 1080 . 95 SER HB2 H 3.68 . 1 1081 . 95 SER HB3 H 3.68 . 1 1082 . 95 SER C C 174.4 . 1 1083 . 95 SER CA C 58.9 . 1 1084 . 95 SER CB C 63.8 . 1 1085 . 95 SER N N 108.1 . 1 1086 . 96 ASP H H 7.15 . 1 1087 . 96 ASP HA H 4.39 . 1 1088 . 96 ASP HB2 H 2.57 . 2 1089 . 96 ASP HB3 H 2.33 . 2 1090 . 96 ASP C C 173.8 . 1 1091 . 96 ASP CA C 54.8 . 1 1092 . 96 ASP CB C 40.6 . 1 1093 . 96 ASP N N 120.9 . 1 1094 . 97 ARG H H 8.25 . 1 1095 . 97 ARG HA H 4.15 . 1 1096 . 97 ARG HB2 H 1.81 . 2 1097 . 97 ARG HB3 H 1.66 . 2 1098 . 97 ARG HG2 H 1.53 . 1 1099 . 97 ARG HG3 H 1.53 . 1 1100 . 97 ARG HD2 H 3.15 . 2 1101 . 97 ARG HD3 H 2.98 . 2 1102 . 97 ARG HE H 7.14 . 1 1103 . 97 ARG C C 175.4 . 1 1104 . 97 ARG CA C 57.1 . 1 1105 . 97 ARG CB C 28.8 . 1 1106 . 97 ARG CG C 27.4 . 1 1107 . 97 ARG CD C 42.9 . 1 1108 . 97 ARG CZ C 159.4 . 1 1109 . 97 ARG N N 121.0 . 1 1110 . 97 ARG NE N 85.1 . 1 1111 . 98 ASP H H 7.88 . 1 1112 . 98 ASP HA H 4.72 . 1 1113 . 98 ASP HB2 H 2.77 . 2 1114 . 98 ASP HB3 H 2.60 . 2 1115 . 98 ASP C C 174.6 . 1 1116 . 98 ASP CA C 55.0 . 1 1117 . 98 ASP CB C 41.8 . 1 1118 . 98 ASP N N 116.3 . 1 1119 . 99 ILE H H 7.98 . 1 1120 . 99 ILE HA H 4.38 . 1 1121 . 99 ILE HB H 1.99 . 1 1122 . 99 ILE HG12 H 1.22 . 1 1123 . 99 ILE HG13 H 1.22 . 1 1124 . 99 ILE HG2 H 0.89 . 1 1125 . 99 ILE HD1 H 0.57 . 1 1126 . 99 ILE C C 174.3 . 1 1127 . 99 ILE CA C 60.6 . 1 1128 . 99 ILE CB C 36.5 . 1 1129 . 99 ILE CG1 C 26.5 . 1 1130 . 99 ILE CG2 C 18.6 . 1 1131 . 99 ILE CD1 C 11.2 . 1 1132 . 99 ILE N N 123.5 . 1 1133 . 100 VAL H H 8.93 . 1 1134 . 100 VAL HA H 5.97 . 1 1135 . 100 VAL HB H 3.00 . 1 1136 . 100 VAL HG1 H 0.87 . 2 1137 . 100 VAL HG2 H 0.75 . 2 1138 . 100 VAL C C 175.9 . 1 1139 . 100 VAL CA C 57.9 . 1 1140 . 100 VAL CB C 35.7 . 1 1141 . 100 VAL CG1 C 22.3 . 2 1142 . 100 VAL CG2 C 18.1 . 2 1143 . 100 VAL N N 116.9 . 1 1144 . 101 LEU H H 8.43 . 1 1145 . 101 LEU HA H 4.73 . 1 1146 . 101 LEU HB2 H 1.45 . 2 1147 . 101 LEU HB3 H 0.76 . 2 1148 . 101 LEU HG H 1.15 . 1 1149 . 101 LEU HD1 H -0.08 . 2 1150 . 101 LEU HD2 H -0.49 . 2 1151 . 101 LEU C C 178.7 . 1 1152 . 101 LEU CA C 55.2 . 1 1153 . 101 LEU CB C 41.3 . 1 1154 . 101 LEU CG C 25.6 . 1 1155 . 101 LEU CD1 C 20.9 . 1 1156 . 101 LEU CD2 C 20.9 . 1 1157 . 101 LEU N N 117.4 . 1 1158 . 102 ASP H H 8.61 . 1 1159 . 102 ASP HA H 4.91 . 1 1160 . 102 ASP HB2 H 3.12 . 2 1161 . 102 ASP HB3 H 2.16 . 2 1162 . 102 ASP C C 175.0 . 1 1163 . 102 ASP CA C 53.7 . 1 1164 . 102 ASP CB C 45.9 . 1 1165 . 102 ASP N N 121.7 . 1 1166 . 103 ILE H H 8.37 . 1 1167 . 103 ILE HA H 4.09 . 1 1168 . 103 ILE HB H 1.59 . 1 1169 . 103 ILE HG12 H 1.85 . 1 1170 . 103 ILE HG13 H 1.85 . 1 1171 . 103 ILE HG2 H 0.93 . 1 1172 . 103 ILE HD1 H 0.85 . 1 1173 . 103 ILE C C 175.9 . 1 1174 . 103 ILE CA C 63.5 . 1 1175 . 103 ILE CB C 38.7 . 1 1176 . 103 ILE CG1 C 28.2 . 1 1177 . 103 ILE CG2 C 18.3 . 1 1178 . 103 ILE CD1 C 15.0 . 1 1179 . 103 ILE N N 124.5 . 1 1180 . 104 ILE H H 8.25 . 1 1181 . 104 ILE HA H 3.60 . 1 1182 . 104 ILE HB H 1.65 . 1 1183 . 104 ILE C C 177.9 . 1 1184 . 104 ILE CA C 63.7 . 1 1185 . 104 ILE CB C 38.6 . 1 1186 . 104 ILE N N 131.8 . 1 1187 . 105 LYS HA H 3.79 . 1 1188 . 105 LYS HB2 H 1.91 . 2 1189 . 105 LYS HB3 H 1.82 . 2 1190 . 105 LYS HG2 H 1.38 . 1 1191 . 105 LYS HG3 H 1.38 . 1 1192 . 105 LYS HD2 H 1.60 . 1 1193 . 105 LYS HD3 H 1.60 . 1 1194 . 105 LYS HE2 H 2.91 . 1 1195 . 105 LYS HE3 H 2.91 . 1 1196 . 105 LYS C C 175.9 . 1 1197 . 105 LYS CA C 57.9 . 1 1198 . 105 LYS CB C 30.5 . 1 1199 . 105 LYS CG C 26.0 . 1 1200 . 105 LYS CD C 29.2 . 1 1201 . 105 LYS CE C 42.3 . 1 1202 . 106 SER H H 8.50 . 1 1203 . 106 SER HA H 4.68 . 1 1204 . 106 SER HB2 H 3.77 . 2 1205 . 106 SER HB3 H 3.45 . 2 1206 . 106 SER CA C 58.5 . 1 1207 . 106 SER CB C 62.1 . 1 1208 . 106 SER N N 112.4 . 1 1209 . 107 ASP HA H 4.21 . 1 1210 . 107 ASP HB2 H 2.74 . 2 1211 . 107 ASP HB3 H 2.63 . 2 1212 . 107 ASP C C 175.8 . 1 1213 . 107 ASP CA C 54.9 . 1 1214 . 107 ASP CB C 41.5 . 1 1215 . 108 LYS H H 8.25 . 1 1216 . 108 LYS HA H 4.06 . 1 1217 . 108 LYS HB2 H 1.86 . 2 1218 . 108 LYS HB3 H 1.73 . 2 1219 . 108 LYS HG2 H 1.22 . 1 1220 . 108 LYS HG3 H 1.22 . 1 1221 . 108 LYS HD2 H 1.68 . 1 1222 . 108 LYS HD3 H 1.68 . 1 1223 . 108 LYS HE2 H 2.97 . 1 1224 . 108 LYS HE3 H 2.97 . 1 1225 . 108 LYS C C 177.8 . 1 1226 . 108 LYS CA C 56.6 . 1 1227 . 108 LYS CB C 33.4 . 1 1228 . 108 LYS CG C 25.5 . 1 1229 . 108 LYS CD C 29.7 . 1 1230 . 108 LYS CE C 42.1 . 1 1231 . 108 LYS N N 122.4 . 1 1232 . 109 GLU H H 8.31 . 1 1233 . 109 GLU HA H 4.09 . 1 1234 . 109 GLU HB2 H 1.97 . 1 1235 . 109 GLU HB3 H 1.97 . 1 1236 . 109 GLU HG2 H 2.36 . 2 1237 . 109 GLU HG3 H 2.21 . 2 1238 . 109 GLU C C 177.1 . 1 1239 . 109 GLU CA C 56.2 . 1 1240 . 109 GLU CB C 30.1 . 1 1241 . 109 GLU CG C 36.3 . 1 1242 . 109 GLU N N 121.4 . 1 1243 . 110 ALA H H 8.58 . 1 1244 . 110 ALA HA H 3.74 . 1 1245 . 110 ALA HB H 0.87 . 1 1246 . 110 ALA C C 177.6 . 1 1247 . 110 ALA CA C 53.0 . 1 1248 . 110 ALA CB C 18.2 . 1 1249 . 110 ALA N N 123.6 . 1 1250 . 111 GLY H H 9.14 . 1 1251 . 111 GLY HA2 H 4.45 . 2 1252 . 111 GLY HA3 H 3.92 . 2 1253 . 111 GLY C C 173.5 . 1 1254 . 111 GLY CA C 45.0 . 1 1255 . 111 GLY N N 110.0 . 1 1256 . 112 ALA H H 7.26 . 1 1257 . 112 ALA HA H 4.20 . 1 1258 . 112 ALA HB H 1.46 . 1 1259 . 112 ALA C C 176.5 . 1 1260 . 112 ALA CA C 53.0 . 1 1261 . 112 ALA CB C 20.0 . 1 1262 . 112 ALA N N 123.4 . 1 1263 . 113 HIS H H 8.16 . 1 1264 . 113 HIS HA H 4.92 . 1 1265 . 113 HIS HB2 H 3.44 . 2 1266 . 113 HIS HB3 H 3.09 . 2 1267 . 113 HIS HD2 H 7.26 . 1 1268 . 113 HIS HE1 H 8.47 . 1 1269 . 113 HIS C C 172.4 . 1 1270 . 113 HIS CA C 55.8 . 1 1271 . 113 HIS CB C 30.6 . 1 1272 . 113 HIS CD2 C 119.4 . 1 1273 . 113 HIS CE1 C 136.3 . 1 1274 . 113 HIS N N 114.5 . 1 1275 . 114 ILE H H 8.20 . 1 1276 . 114 ILE HA H 5.03 . 1 1277 . 114 ILE HB H 1.50 . 1 1278 . 114 ILE HG12 H 1.04 . 1 1279 . 114 ILE HG13 H 1.04 . 1 1280 . 114 ILE HG2 H 0.81 . 1 1281 . 114 ILE HD1 H 0.69 . 1 1282 . 114 ILE C C 173.5 . 1 1283 . 114 ILE CA C 60.1 . 1 1284 . 114 ILE CB C 41.4 . 1 1285 . 114 ILE CG1 C 29.1 . 1 1286 . 114 ILE CG2 C 20.0 . 1 1287 . 114 ILE CD1 C 14.7 . 1 1288 . 114 ILE N N 119.7 . 1 1289 . 115 CYS H H 9.81 . 1 1290 . 115 CYS HA H 5.44 . 1 1291 . 115 CYS HB2 H 3.21 . 2 1292 . 115 CYS HB3 H 3.04 . 2 1293 . 115 CYS C C 171.3 . 1 1294 . 115 CYS CA C 55.1 . 1 1295 . 115 CYS CB C 33.7 . 1 1296 . 115 CYS N N 123.6 . 1 1297 . 116 ALA H H 8.13 . 1 1298 . 116 ALA HA H 5.15 . 1 1299 . 116 ALA HB H 1.36 . 1 1300 . 116 ALA C C 176.9 . 1 1301 . 116 ALA CA C 50.8 . 1 1302 . 116 ALA CB C 20.9 . 1 1303 . 116 ALA N N 120.8 . 1 1304 . 117 TRP H H 9.96 . 1 1305 . 117 TRP HA H 4.78 . 1 1306 . 117 TRP HB2 H 3.22 . 2 1307 . 117 TRP HB3 H 2.85 . 2 1308 . 117 TRP HD1 H 7.47 . 1 1309 . 117 TRP HE1 H 10.34 . 1 1310 . 117 TRP HE3 H 7.99 . 1 1311 . 117 TRP HZ2 H 7.52 . 1 1312 . 117 TRP HZ3 H 7.22 . 1 1313 . 117 TRP HH2 H 7.27 . 1 1314 . 117 TRP C C 172.9 . 1 1315 . 117 TRP CA C 55.6 . 1 1316 . 117 TRP CB C 35.3 . 1 1317 . 117 TRP CD1 C 128.2 . 1 1318 . 117 TRP CE3 C 137.6 . 1 1319 . 117 TRP CZ2 C 114.5 . 1 1320 . 117 TRP CZ3 C 120.2 . 1 1321 . 117 TRP CH2 C 124.7 . 1 1322 . 117 TRP N N 127.8 . 1 1323 . 117 TRP NE1 N 129.6 . 1 1324 . 118 LYS H H 6.29 . 1 1325 . 118 LYS HA H 4.50 . 1 1326 . 118 LYS HB2 H 1.42 . 1 1327 . 118 LYS HB3 H 1.42 . 1 1328 . 118 LYS HG2 H 1.28 . 1 1329 . 118 LYS HG3 H 1.28 . 1 1330 . 118 LYS HD2 H 1.51 . 1 1331 . 118 LYS HD3 H 1.51 . 1 1332 . 118 LYS HE2 H 2.91 . 1 1333 . 118 LYS HE3 H 2.91 . 1 1334 . 118 LYS C C 177.8 . 1 1335 . 118 LYS CA C 56.3 . 1 1336 . 118 LYS CB C 32.5 . 1 1337 . 118 LYS CG C 24.6 . 1 1338 . 118 LYS CD C 29.2 . 1 1339 . 118 LYS CE C 42.1 . 1 1340 . 118 LYS N N 122.7 . 1 1341 . 119 GLN H H 8.76 . 1 1342 . 119 GLN HA H 4.33 . 1 1343 . 119 GLN HB2 H 2.10 . 1 1344 . 119 GLN HB3 H 2.10 . 1 1345 . 119 GLN HG2 H 2.49 . 2 1346 . 119 GLN HG3 H 2.42 . 2 1347 . 119 GLN HE21 H 7.45 . 2 1348 . 119 GLN HE22 H 6.61 . 2 1349 . 119 GLN C C 176.9 . 1 1350 . 119 GLN CA C 57.0 . 1 1351 . 119 GLN CB C 29.0 . 1 1352 . 119 GLN CG C 34.2 . 1 1353 . 119 GLN CD C 179.5 . 1 1354 . 119 GLN N N 126.0 . 1 1355 . 119 GLN NE2 N 110.2 . 1 1356 . 120 HIS H H 9.56 . 1 1357 . 120 HIS HA H 4.91 . 1 1358 . 120 HIS HB2 H 3.33 . 2 1359 . 120 HIS HB3 H 3.15 . 2 1360 . 120 HIS HD2 H 7.25 . 1 1361 . 120 HIS HE1 H 8.37 . 1 1362 . 120 HIS C C 177.3 . 1 1363 . 120 HIS CA C 55.0 . 1 1364 . 120 HIS CB C 31.9 . 1 1365 . 120 HIS CD2 C 120.1 . 1 1366 . 120 HIS CE1 C 136.2 . 1 1367 . 120 HIS N N 121.8 . 1 1368 . 121 GLY H H 8.17 . 1 1369 . 121 GLY HA2 H 4.21 . 2 1370 . 121 GLY HA3 H 3.81 . 2 1371 . 121 GLY C C 175.2 . 1 1372 . 121 GLY CA C 46.2 . 1 1373 . 121 GLY N N 110.0 . 1 1374 . 122 GLY H H 9.75 . 1 1375 . 122 GLY HA2 H 4.33 . 2 1376 . 122 GLY HA3 H 3.80 . 2 1377 . 122 GLY C C 173.0 . 1 1378 . 122 GLY CA C 44.8 . 1 1379 . 122 GLY N N 111.1 . 1 1380 . 123 PRO HA H 4.11 . 1 1381 . 123 PRO HB2 H 2.28 . 2 1382 . 123 PRO HB3 H 1.77 . 2 1383 . 123 PRO HG2 H 2.04 . 2 1384 . 123 PRO HG3 H 1.98 . 2 1385 . 123 PRO HD2 H 3.74 . 1 1386 . 123 PRO HD3 H 3.74 . 1 1387 . 123 PRO C C 176.8 . 1 1388 . 123 PRO CA C 65.4 . 1 1389 . 123 PRO CB C 32.0 . 1 1390 . 123 PRO CG C 27.4 . 1 1391 . 123 PRO CD C 50.1 . 1 1392 . 124 ASN H H 8.51 . 1 1393 . 124 ASN HA H 4.21 . 1 1394 . 124 ASN HB2 H 3.10 . 2 1395 . 124 ASN HB3 H 2.69 . 2 1396 . 124 ASN C C 173.1 . 1 1397 . 124 ASN CA C 54.8 . 1 1398 . 124 ASN CB C 37.1 . 1 1399 . 124 ASN N N 112.9 . 1 1400 . 125 GLN H H 7.52 . 1 1401 . 125 GLN HA H 5.03 . 1 1402 . 125 GLN HB2 H 2.39 . 2 1403 . 125 GLN HB3 H 1.86 . 2 1404 . 125 GLN HG2 H 2.34 . 2 1405 . 125 GLN HG3 H 1.98 . 2 1406 . 125 GLN HE21 H 8.77 . 2 1407 . 125 GLN HE22 H 6.38 . 2 1408 . 125 GLN C C 174.9 . 1 1409 . 125 GLN CA C 54.5 . 1 1410 . 125 GLN CB C 29.7 . 1 1411 . 125 GLN CG C 32.9 . 1 1412 . 125 GLN CD C 179.7 . 1 1413 . 125 GLN N N 116.7 . 1 1414 . 125 GLN NE2 N 111.3 . 1 1415 . 126 LYS H H 6.61 . 1 1416 . 126 LYS HA H 5.15 . 1 1417 . 126 LYS HB2 H 1.64 . 1 1418 . 126 LYS HB3 H 1.64 . 1 1419 . 126 LYS HG2 H 1.19 . 1 1420 . 126 LYS HG3 H 1.19 . 1 1421 . 126 LYS HD2 H 1.46 . 1 1422 . 126 LYS HD3 H 1.46 . 1 1423 . 126 LYS HE2 H 2.80 . 1 1424 . 126 LYS HE3 H 2.80 . 1 1425 . 126 LYS C C 176.2 . 1 1426 . 126 LYS CA C 54.7 . 1 1427 . 126 LYS CB C 33.9 . 1 1428 . 126 LYS CG C 24.7 . 1 1429 . 126 LYS CD C 29.2 . 1 1430 . 126 LYS CE C 42.2 . 1 1431 . 126 LYS N N 118.5 . 1 1432 . 127 PHE H H 9.10 . 1 1433 . 127 PHE HA H 5.28 . 1 1434 . 127 PHE HB2 H 2.71 . 2 1435 . 127 PHE HB3 H 2.19 . 2 1436 . 127 PHE HD1 H 6.91 . 1 1437 . 127 PHE HD2 H 6.91 . 1 1438 . 127 PHE HE1 H 6.96 . 1 1439 . 127 PHE HE2 H 6.96 . 1 1440 . 127 PHE HZ H 6.77 . 1 1441 . 127 PHE C C 173.8 . 1 1442 . 127 PHE CA C 56.9 . 1 1443 . 127 PHE CB C 44.4 . 1 1444 . 127 PHE CD1 C 132.6 . 1 1445 . 127 PHE CD2 C 132.6 . 1 1446 . 127 PHE CE1 C 130.4 . 1 1447 . 127 PHE CE2 C 130.4 . 1 1448 . 127 PHE CZ C 127.9 . 1 1449 . 127 PHE N N 124.4 . 1 1450 . 128 ILE H H 9.68 . 1 1451 . 128 ILE HA H 4.38 . 1 1452 . 128 ILE HB H 1.71 . 1 1453 . 128 ILE HG12 H 1.39 . 2 1454 . 128 ILE HG13 H 1.05 . 2 1455 . 128 ILE HG2 H 0.85 . 1 1456 . 128 ILE HD1 H 0.80 . 1 1457 . 128 ILE C C 174.3 . 1 1458 . 128 ILE CA C 59.4 . 1 1459 . 128 ILE CB C 41.9 . 1 1460 . 128 ILE CG1 C 27.4 . 1 1461 . 128 ILE CG2 C 18.0 . 1 1462 . 128 ILE CD1 C 14.2 . 1 1463 . 128 ILE N N 119.8 . 1 1464 . 129 ILE H H 8.28 . 1 1465 . 129 ILE HA H 4.91 . 1 1466 . 129 ILE HB H 1.82 . 1 1467 . 129 ILE HG12 H 1.39 . 2 1468 . 129 ILE HG13 H 1.04 . 2 1469 . 129 ILE HG2 H 0.30 . 1 1470 . 129 ILE HD1 H 0.34 . 1 1471 . 129 ILE C C 176.1 . 1 1472 . 129 ILE CA C 58.3 . 1 1473 . 129 ILE CB C 36.3 . 1 1474 . 129 ILE CG1 C 26.3 . 1 1475 . 129 ILE CG2 C 17.6 . 1 1476 . 129 ILE CD1 C 10.7 . 1 1477 . 129 ILE N N 123.8 . 1 1478 . 130 GLU H H 8.47 . 1 1479 . 130 GLU HA H 4.85 . 1 1480 . 130 GLU HB2 H 2.00 . 2 1481 . 130 GLU HB3 H 1.93 . 2 1482 . 130 GLU HG2 H 2.24 . 2 1483 . 130 GLU HG3 H 1.88 . 2 1484 . 130 GLU C C 175.0 . 1 1485 . 130 GLU CA C 54.4 . 1 1486 . 130 GLU CB C 34.4 . 1 1487 . 130 GLU CG C 36.8 . 1 1488 . 130 GLU N N 128.3 . 1 1489 . 131 SER H H 8.98 . 1 1490 . 131 SER HA H 4.55 . 1 1491 . 131 SER HB2 H 4.03 . 1 1492 . 131 SER HB3 H 4.03 . 1 1493 . 131 SER C C 174.0 . 1 1494 . 131 SER CA C 60.3 . 1 1495 . 131 SER CB C 64.0 . 1 1496 . 131 SER N N 122.5 . 1 1497 . 132 GLU H H 8.07 . 1 1498 . 132 GLU HA H 4.12 . 1 1499 . 132 GLU HB2 H 1.91 . 1 1500 . 132 GLU HB3 H 1.91 . 1 1501 . 132 GLU HG2 H 2.38 . 2 1502 . 132 GLU HG3 H 2.22 . 2 1503 . 132 GLU C C 181.2 . 1 1504 . 132 GLU CA C 60.1 . 1 1505 . 132 GLU CB C 30.5 . 1 1506 . 132 GLU CG C 35.9 . 1 1507 . 132 GLU N N 129.4 . 1 stop_ save_