data_6436 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C resonance assignments of a natively unfolded protein XC4149 from the plant pathogen Xanthomonas campestris pv. campestris 17 ; _BMRB_accession_number 6436 _BMRB_flat_file_name bmr6436.str _Entry_type original _Submission_date 2004-12-16 _Accession_date 2004-12-20 _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 Chin Ko-Hsin . . 2 Lin Jien-Horng . . 3 Yang Chao-Yu . . 4 Tu Jhe-Le . . 5 Lyu Ping-Chiang . . 6 Chou Shan-Ho . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 487 "13C chemical shifts" 335 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-27 original author . stop_ _Original_release_date 2009-05-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H,15N, and 13C resonance assignments of a natively unfolded protein XC4149 from the plant pathogen XCC 17 ; _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 Chin Ko-Hsin . . 2 Lin Jien-Horng . . 3 Yang Chao-Yu . . 4 Tu Jhe-Le . . 5 Chou Shan-Ho . . 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 HN(C)N HNN 'natively unfolded protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'XC 4149' _Abbreviation_common 'XC 4149' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Natively unfolded protein XC4149' $XC4149 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details 'physical state is reported as natively unfolded' save_ ######################## # Monomeric polymers # ######################## save_XC4149 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'XC 4149' _Abbreviation_common 'XC 4149' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; MNDKPKLDTHDERQSAYRGD GGDASVDGRGRQDPSAADTA DAAPPQEGQPQAYYPRGHGH GGGLGEGEPDGHAERDGQTQ PNFGQSGTYGKQDHQQAQQR ARADSDSDSEGDDT ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 ASP 4 LYS 5 PRO 6 LYS 7 LEU 8 ASP 9 THR 10 HIS 11 ASP 12 GLU 13 ARG 14 GLN 15 SER 16 ALA 17 TYR 18 ARG 19 GLY 20 ASP 21 GLY 22 GLY 23 ASP 24 ALA 25 SER 26 VAL 27 ASP 28 GLY 29 ARG 30 GLY 31 ARG 32 GLN 33 ASP 34 PRO 35 SER 36 ALA 37 ALA 38 ASP 39 THR 40 ALA 41 ASP 42 ALA 43 ALA 44 PRO 45 PRO 46 GLN 47 GLU 48 GLY 49 GLN 50 PRO 51 GLN 52 ALA 53 TYR 54 TYR 55 PRO 56 ARG 57 GLY 58 HIS 59 GLY 60 HIS 61 GLY 62 GLY 63 GLY 64 LEU 65 GLY 66 GLU 67 GLY 68 GLU 69 PRO 70 ASP 71 GLY 72 HIS 73 ALA 74 GLU 75 ARG 76 ASP 77 GLY 78 GLN 79 THR 80 GLN 81 PRO 82 ASN 83 PHE 84 GLY 85 GLN 86 SER 87 GLY 88 THR 89 TYR 90 GLY 91 LYS 92 GLN 93 ASP 94 HIS 95 GLN 96 GLN 97 ALA 98 GLN 99 GLN 100 ARG 101 ALA 102 ARG 103 ALA 104 ASP 105 SER 106 ASP 107 SER 108 ASP 109 SER 110 GLU 111 GLY 112 ASP 113 ASP 114 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 GB AAM42954 "conserved hypothetical protein [Xanthomonas campestris pv. campestris str. ATCC 33913]" 100.00 114 100.00 100.00 1.91e-71 REF NP_639030 "hypothetical protein XCC3684 [Xanthomonas campestris pv. campestris str. ATCC 33913]" 100.00 114 100.00 100.00 1.91e-71 REF WP_011038767 "hypothetical protein [Xanthomonas campestris]" 100.00 114 100.00 100.00 1.91e-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 $XC4149 'Xanthomonas campestris' 562 Bacteria . Xanthomonas campestris 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 $XC4149 '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 $XC4149 . mM . NaCl 100 mM . 'Na phosphate' 25 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model DMX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNN_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNN _Sample_label . save_ save_HN(C)N_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(C)N _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_NOESYNhsqc_7 _Saveframe_category NMR_applied_experiment _Experiment_name NOESYNhsqc _Sample_label . save_ save_TOCSYNhsqc_8 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSYNhsqc _Sample_label . save_ save_C(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name C(CCO)NH _Sample_label . save_ save_HC(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNN _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(C)N _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name NOESYNhsqc _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSYNhsqc _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name C(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . na temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 'XC 4149' H 1 protons ppm 0.01 internal direct . . . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNN HN(C)N HNCACB CBCACONH HBHA(CO)NH HNHA NOESYNhsqc TOCSYNhsqc C(CCO)NH HC(CO)NH stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Natively unfolded protein XC4149' _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 MET H H 8.11 . . 2 . 1 MET HA H 4.39 . . 3 . 1 MET HB2 H 2.03 . . 4 . 1 MET HB3 H 1.96 . . 5 . 1 MET C C 175.8 . . 6 . 1 MET N N 121.1 . . 7 . 2 ASN H H 8.28 . . 8 . 2 ASN HA H 4.66 . . 9 . 2 ASN HB2 H 2.84 . . 10 . 2 ASN HB3 H 2.71 . . 11 . 2 ASN C C 174.2 . . 12 . 2 ASN N N 119.4 . . 13 . 3 ASP HA H 4.57 . . 14 . 3 ASP HB2 H 2.64 . . 15 . 3 ASP HB3 H 2.64 . . 16 . 3 ASP C C 175.6 . . 17 . 3 ASP CA C 54.21 . . 18 . 3 ASP CB C 41.20 . . 19 . 3 ASP N N 120.3 . . 20 . 4 LYS H H 8.06 . . 21 . 4 LYS HA H 4.56 . . 22 . 4 LYS HB2 H 1.80 . . 23 . 4 LYS HB3 H 1.72 . . 24 . 4 LYS HG2 H 1.48 . . 25 . 4 LYS HG3 H 1.48 . . 26 . 4 LYS CA C 54.28 . . 27 . 4 LYS CB C 32.70 . . 28 . 4 LYS N N 122.0 . . 29 . 5 PRO HA H 4.34 . . 30 . 5 PRO HB2 H 2.26 . . 31 . 5 PRO HB3 H 1.84 . . 32 . 5 PRO HG2 H 2.00 . . 33 . 5 PRO HG3 H 2.00 . . 34 . 5 PRO C C 176.70 . . 35 . 6 LYS H H 8.41 . . 36 . 6 LYS HA H 4.28 . . 37 . 6 LYS HB2 H 1.79 . . 38 . 6 LYS HB3 H 1.74 . . 39 . 6 LYS HG2 H 1.43 . . 40 . 6 LYS HG3 H 1.43 . . 41 . 6 LYS HD2 H 1.76 . . 42 . 6 LYS HD3 H 1.76 . . 43 . 6 LYS HE2 H 2.48 . . 44 . 6 LYS HE3 H 2.48 . . 45 . 6 LYS C C 176.30 . . 46 . 6 LYS CA C 56.01 . . 47 . 6 LYS CB C 32.99 . . 48 . 6 LYS CG C 24.64 . . 49 . 6 LYS CD C 29.16 . . 50 . 6 LYS CE C 42.56 . . 51 . 6 LYS N N 122.1 . . 52 . 7 LEU H H 8.28 . . 53 . 7 LEU HA H 4.30 . . 54 . 7 LEU HB2 H 1.58 . . 55 . 7 LEU HB3 H 1.58 . . 56 . 7 LEU HG H 1.58 . . 57 . 7 LEU HD1 H 0.88 . . 58 . 7 LEU HD2 H 0.88 . . 59 . 7 LEU C C 176.20 . . 60 . 7 LEU CA C 55.15 . . 61 . 7 LEU CB C 42.62 . . 62 . 7 LEU CG C 26.93 . . 63 . 7 LEU CD1 C 25.05 . . 64 . 7 LEU CD2 C 23.63 . . 65 . 7 LEU N N 123.9 . . 66 . 8 ASP H H 8.44 . . 67 . 8 ASP HA H 4.65 . . 68 . 8 ASP HB2 H 2.70 . . 69 . 8 ASP HB3 H 2.61 . . 70 . 8 ASP C C 176.30 . . 71 . 8 ASP CA C 54.07 . . 72 . 8 ASP CB C 41.34 . . 73 . 8 ASP N N 121.8 . . 74 . 9 THR H H 8.05 . . 75 . 9 THR HA H 4.41 . . 76 . 9 THR HB H 4.27 . . 77 . 9 THR HG2 H 1.17 . . 78 . 9 THR CA C 61.82 . . 79 . 9 THR CB C 69.50 . . 80 . 9 THR N N 114.0 . . 81 . 10 HIS H H 8.53 . . 82 . 10 HIS C C 175.60 . . 83 . 10 HIS CA C 56.06 . . 84 . 10 HIS CB C 29.90 . . 85 . 10 HIS NE2 N 120.5 . . 86 . 11 ASP H H 8.31 . . 87 . 11 ASP HA H 4.57 . . 88 . 11 ASP HB2 H 2.71 . . 89 . 11 ASP HB3 H 2.60 . . 90 . 11 ASP C C 176.40 . . 91 . 11 ASP CA C 54.37 . . 92 . 11 ASP CB C 41.41 . . 93 . 11 ASP N N 121.5 . . 94 . 12 GLU H H 8.60 . . 95 . 12 GLU HA H 4.25 . . 96 . 12 GLU HB2 H 2.08 . . 97 . 12 GLU HB3 H 1.97 . . 98 . 12 GLU HG2 H 2.28 . . 99 . 12 GLU HG3 H 2.28 . . 100 . 12 GLU C C 176.80 . . 101 . 12 GLU CA C 57.05 . . 102 . 12 GLU CB C 30.17 . . 103 . 12 GLU N N 122.5 . . 104 . 13 ARG H H 8.36 . . 105 . 13 ARG HA H 4.28 . . 106 . 13 ARG HB2 H 1.84 . . 107 . 13 ARG HB3 H 1.84 . . 108 . 13 ARG HG2 H 1.66 . . 109 . 13 ARG HG3 H 1.66 . . 110 . 13 ARG HD2 H 2.72 . . 111 . 13 ARG HD3 H 2.72 . . 112 . 13 ARG C C 176.80 . . 113 . 13 ARG CA C 56.66 . . 114 . 13 ARG CB C 30.41 . . 115 . 13 ARG CG C 27.47 . . 116 . 13 ARG CD C 43.57 . . 117 . 13 ARG N N 121.0 . . 118 . 14 GLN H H 8.23 . . 119 . 14 GLN HA H 4.31 . . 120 . 14 GLN HB2 H 2.13 . . 121 . 14 GLN HB3 H 1.99 . . 122 . 14 GLN HG2 H 2.38 . . 123 . 14 GLN HG3 H 2.38 . . 124 . 14 GLN C C 176.20 . . 125 . 14 GLN CA C 56.09 . . 126 . 14 GLN CB C 29.36 . . 127 . 14 GLN CG C 33.40 . . 128 . 14 GLN N N 120.3 . . 129 . 15 SER H H 8.27 . . 130 . 15 SER HA H 4.37 . . 131 . 15 SER HB2 H 3.85 . . 132 . 15 SER HB3 H 3.85 . . 133 . 15 SER C C 174.30 . . 134 . 15 SER CA C 58.72 . . 135 . 15 SER CB C 63.84 . . 136 . 15 SER N N 116.5 . . 137 . 16 ALA H H 8.23 . . 138 . 16 ALA HA H 4.27 . . 139 . 16 ALA HB H 1.30 . . 140 . 16 ALA C C 177.30 . . 141 . 16 ALA CA C 52.73 . . 142 . 16 ALA CB C 19.16 . . 143 . 16 ALA N N 125.5 . . 144 . 17 TYR H H 8.11 . . 145 . 17 TYR HA H 4.50 . . 146 . 17 TYR HB2 H 2.98 . . 147 . 17 TYR HB3 H 2.98 . . 148 . 17 TYR C C 175.70 . . 149 . 17 TYR CA C 58.05 . . 150 . 17 TYR CB C 38.71 . . 151 . 17 TYR N N 119.6 . . 152 . 18 ARG H H 8.21 . . 153 . 18 ARG HA H 4.29 . . 154 . 18 ARG HB2 H 1.83 . . 155 . 18 ARG HB3 H 1.68 . . 156 . 18 ARG HG2 H 1.56 . . 157 . 18 ARG HG3 H 1.56 . . 158 . 18 ARG HD2 H 3.16 . . 159 . 18 ARG HD3 H 3.16 . . 160 . 18 ARG C C 176.30 . . 161 . 18 ARG CA C 55.96 . . 162 . 18 ARG CB C 30.97 . . 163 . 18 ARG CG C 27.07 . . 164 . 18 ARG CD C 43.43 . . 165 . 18 ARG N N 124.0 . . 166 . 19 GLY H H 7.71 . . 167 . 19 GLY HA2 H 3.92 . . 168 . 19 GLY HA3 H 3.92 . . 169 . 19 GLY C C 176.30 . . 170 . 19 GLY CA C 45.37 . . 171 . 19 GLY N N 109.1 . . 172 . 20 ASP H H 8.26 . . 173 . 20 ASP HA H 4.62 . . 174 . 20 ASP HB2 H 2.69 . . 175 . 20 ASP HB3 H 2.69 . . 176 . 20 ASP C C 176.90 . . 177 . 20 ASP CA C 54.14 . . 178 . 20 ASP CB C 41.34 . . 179 . 20 ASP N N 119.9 . . 180 . 21 GLY H H 8.34 . . 181 . 21 GLY HA2 H 3.96 . . 182 . 21 GLY HA3 H 3.96 . . 183 . 21 GLY C C 174.90 . . 184 . 21 GLY CA C 45.32 . . 185 . 21 GLY N N 108.9 . . 186 . 22 GLY H H 8.46 . . 187 . 22 GLY HA2 H 3.92 . . 188 . 22 GLY HA3 H 3.92 . . 189 . 22 GLY C C 173.90 . . 190 . 22 GLY CA C 45.32 . . 191 . 22 GLY N N 109.4 . . 192 . 23 ASP H H 8.27 . . 193 . 23 ASP HA H 4.60 . . 194 . 23 ASP HB2 H 2.70 . . 195 . 23 ASP HB3 H 2.64 . . 196 . 23 ASP C C 176.10 . . 197 . 23 ASP CA C 54.21 . . 198 . 23 ASP CB C 41.21 . . 199 . 23 ASP N N 120.4 . . 200 . 24 ALA H H 8.31 . . 201 . 24 ALA HA H 4.32 . . 202 . 24 ALA HB H 1.38 . . 203 . 24 ALA C C 177.80 . . 204 . 24 ALA CA C 52.73 . . 205 . 24 ALA CB C 19.12 . . 206 . 24 ALA N N 124.6 . . 207 . 25 SER H H 8.31 . . 208 . 25 SER HA H 4.41 . . 209 . 25 SER HB2 H 3.88 . . 210 . 25 SER C C 175.00 . . 211 . 25 SER CA C 58.69 . . 212 . 25 SER CB C 63.84 . . 213 . 25 SER N N 114.9 . . 214 . 26 VAL H H 8.06 . . 215 . 26 VAL HA H 4.13 . . 216 . 26 VAL HB H 2.11 . . 217 . 26 VAL HG1 H 0.92 . . 218 . 26 VAL HG2 H 0.92 . . 219 . 26 VAL C C 176.00 . . 220 . 26 VAL CA C 62.52 . . 221 . 26 VAL CB C 32.72 . . 222 . 26 VAL CG1 C 20.80 . . 223 . 26 VAL CG2 C 20.13 . . 224 . 26 VAL N N 120.9 . . 225 . 27 ASP H H 8.28 . . 226 . 27 ASP HA H 4.56 . . 227 . 27 ASP HB2 H 2.69 . . 228 . 27 ASP C C 176.90 . . 229 . 27 ASP CA C 54.34 . . 230 . 27 ASP CB C 41.35 . . 231 . 27 ASP N N 122.6 . . 232 . 28 GLY H H 8.30 . . 233 . 28 GLY HA2 H 3.94 . . 234 . 28 GLY HA3 H 3.94 . . 235 . 28 GLY C C 173.80 . . 236 . 28 GLY CA C 45.32 . . 237 . 28 GLY N N 109.4 . . 238 . 29 ARG H H 8.15 . . 239 . 29 ARG HA H 4.31 . . 240 . 29 ARG HB2 H 1.90 . . 241 . 29 ARG HB3 H 1.83 . . 242 . 29 ARG HG2 H 1.64 . . 243 . 29 ARG HG3 H 1.64 . . 244 . 29 ARG HD2 H 3.20 . . 245 . 29 ARG HD3 H 3.20 . . 246 . 29 ARG C C 176.90 . . 247 . 29 ARG CA C 56.63 . . 248 . 29 ARG CB C 30.50 . . 249 . 29 ARG CG C 27.27 . . 250 . 29 ARG CD C 43.57 . . 251 . 29 ARG N N 120.2 . . 252 . 30 GLY H H 8.44 . . 253 . 30 GLY HA2 H 3.93 . . 254 . 30 GLY HA3 H 3.93 . . 255 . 30 GLY C C 174.70 . . 256 . 30 GLY CA C 45.42 . . 257 . 30 GLY N N 109.4 . . 258 . 31 ARG H H 8.15 . . 259 . 31 ARG HA H 4.30 . . 260 . 31 ARG HB2 H 1.84 . . 261 . 31 ARG HB3 H 1.75 . . 262 . 31 ARG HG2 H 1.59 . . 263 . 31 ARG HG3 H 1.59 . . 264 . 31 ARG HD2 H 3.21 . . 265 . 31 ARG HD3 H 3.21 . . 266 . 31 ARG C C 176.20 . . 267 . 31 ARG CA C 56.26 . . 268 . 31 ARG CB C 30.81 . . 269 . 31 ARG CG C 27.20 . . 270 . 31 ARG CD C 43.43 . . 271 . 31 ARG N N 120.5 . . 272 . 32 GLN H H 8.47 . . 273 . 32 GLN HA H 4.32 . . 274 . 32 GLN HB2 H 2.06 . . 275 . 32 GLN HB3 H 1.95 . . 276 . 32 GLN HG2 H 2.33 . . 277 . 32 GLN HG3 H 2.33 . . 278 . 32 GLN C C 174.60 . . 279 . 32 GLN CA C 55.76 . . 280 . 32 GLN CB C 29.72 . . 281 . 32 GLN CG C 33.53 . . 282 . 32 GLN N N 121.8 . . 283 . 33 ASP H H 8.43 . . 284 . 33 ASP HA H 4.75 . . 285 . 33 ASP HB2 H 2.74 . . 286 . 33 ASP HB3 H 2.55 . . 287 . 33 ASP CA C 55.69 . . 288 . 33 ASP CB C 41.68 . . 289 . 33 ASP N N 123.3 . . 290 . 34 PRO HA H 4.44 . . 291 . 34 PRO HB2 H 2.30 . . 292 . 34 PRO HB3 H 1.98 . . 293 . 34 PRO HG2 H 2.03 . . 294 . 34 PRO HG3 H 2.03 . . 295 . 34 PRO HD2 H 3.85 . . 296 . 34 PRO HD3 H 3.85 . . 297 . 34 PRO C C 177.20 . . 298 . 34 PRO CA C 63.71 . . 299 . 34 PRO CB C 32.10 . . 300 . 34 PRO CG C 27.61 . . 301 . 34 PRO CD C 50.91 . . 302 . 35 SER H H 8.47 . . 303 . 35 SER HA H 4.39 . . 304 . 35 SER HB2 H 3.89 . . 305 . 35 SER HB3 H 3.89 . . 306 . 35 SER C C 174.5 . . 307 . 35 SER CA C 58.69 . . 308 . 35 SER CB C 63.86 . . 309 . 35 SER N N 115.5 . . 310 . 36 ALA H H 8.08 . . 311 . 36 ALA HA H 4.30 . . 312 . 36 ALA HB H 1.40 . . 313 . 36 ALA C C 177.40 . . 314 . 36 ALA CA C 52.51 . . 315 . 36 ALA CB C 19.12 . . 316 . 36 ALA N N 125.8 . . 317 . 37 ALA H H 8.11 . . 318 . 37 ALA HA H 4.28 . . 319 . 37 ALA HB H 1.36 . . 320 . 37 ALA C C 177.50 . . 321 . 37 ALA CA C 52.59 . . 322 . 37 ALA CB C 19.46 . . 323 . 37 ALA N N 122.6 . . 324 . 38 ASP H H 8.26 . . 325 . 38 ASP HA H 4.62 . . 326 . 38 ASP HB2 H 2.69 . . 327 . 38 ASP HB3 H 2.69 . . 328 . 38 ASP C C 176.50 . . 329 . 38 ASP CA C 54.42 . . 330 . 38 ASP CB C 41.30 . . 331 . 38 ASP N N 119.4 . . 332 . 39 THR H H 7.99 . . 333 . 39 THR HA H 4.46 . . 334 . 39 THR HB H 4.30 . . 335 . 39 THR HG2 H 1.21 . . 336 . 39 THR C C 174.50 . . 337 . 39 THR CA C 61.68 . . 338 . 39 THR CB C 69.83 . . 339 . 39 THR N N 113.7 . . 340 . 40 ALA H H 8.26 . . 341 . 40 ALA HA H 4.28 . . 342 . 40 ALA HB H 1.38 . . 343 . 40 ALA C C 177.50 . . 344 . 40 ALA CA C 52.83 . . 345 . 40 ALA CB C 19.33 . . 346 . 40 ALA N N 126.1 . . 347 . 41 ASP H H 8.23 . . 348 . 41 ASP HA H 4.53 . . 349 . 41 ASP HB2 H 2.68 . . 350 . 41 ASP HB3 H 2.57 . . 351 . 41 ASP C C 175.70 . . 352 . 41 ASP CA C 54.42 . . 353 . 41 ASP CB C 41.20 . . 354 . 41 ASP N N 119.3 . . 355 . 42 ALA H H 8.04 . . 356 . 42 ALA HA H 4.28 . . 357 . 42 ALA HB H 1.36 . . 358 . 42 ALA C C 176.90 . . 359 . 42 ALA CA C 52.12 . . 360 . 42 ALA CB C 19.26 . . 361 . 42 ALA N N 124.0 . . 362 . 43 ALA H H 8.19 . . 363 . 43 ALA HA H 4.37 . . 364 . 43 ALA HB H 1.34 . . 365 . 43 ALA CA C 50.44 . . 366 . 43 ALA CB C 18.31 . . 367 . 43 ALA N N 124.8 . . 368 . 45 PRO HA H 4.40 . . 369 . 45 PRO HB2 H 2.27 . . 370 . 45 PRO HB3 H 1.89 . . 371 . 45 PRO HG2 H 2.02 . . 372 . 45 PRO HG3 H 2.02 . . 373 . 45 PRO C C 176.90 . . 374 . 45 PRO CA C 63.23 . . 375 . 45 PRO CB C 31.78 . . 376 . 45 PRO CG C 27.67 . . 377 . 46 GLN H H 8.48 . . 378 . 46 GLN HA H 4.30 . . 379 . 46 GLN HB2 H 2.07 . . 380 . 46 GLN HB3 H 1.95 . . 381 . 46 GLN HG2 H 2.37 . . 382 . 46 GLN HG3 H 2.37 . . 383 . 46 GLN C C 176.00 . . 384 . 46 GLN CA C 55.76 . . 385 . 46 GLN CB C 29.62 . . 386 . 46 GLN CG C 33.53 . . 387 . 46 GLN N N 120.7 . . 388 . 47 GLU H H 8.50 . . 389 . 47 GLU HA H 4.28 . . 390 . 47 GLU HB2 H 2.03 . . 391 . 47 GLU HB3 H 1.94 . . 392 . 47 GLU HG2 H 2.26 . . 393 . 47 GLU HG3 H 2.26 . . 394 . 47 GLU C C 176.80 . . 395 . 47 GLU CA C 56.66 . . 396 . 47 GLU CB C 30.43 . . 397 . 47 GLU CG C 36.02 . . 398 . 47 GLU N N 122.4 . . 399 . 48 GLY H H 8.49 . . 400 . 48 GLY HA2 H 3.94 . . 401 . 48 GLY HA3 H 3.94 . . 402 . 48 GLY C C 173.80 . . 403 . 48 GLY CA C 45.32 . . 404 . 48 GLY N N 110.3 . . 405 . 49 GLN H H 8.17 . . 406 . 49 GLN HA H 4.28 . . 407 . 49 GLN HB2 H 2.09 . . 408 . 49 GLN HB3 H 1.92 . . 409 . 49 GLN HG2 H 2.34 . . 410 . 49 GLN HG3 H 2.34 . . 411 . 49 GLN CA C 56.16 . . 412 . 49 GLN CB C 30.91 . . 413 . 49 GLN N N 120.5 . . 414 . 50 PRO HA H 4.39 . . 415 . 50 PRO HB2 H 2.28 . . 416 . 50 PRO HB3 H 1.88 . . 417 . 50 PRO HG2 H 2.01 . . 418 . 50 PRO HG3 H 2.01 . . 419 . 50 PRO HD2 H 3.94 . . 420 . 50 PRO HD3 H 3.94 . . 421 . 50 PRO C C 176.80 . . 422 . 51 GLN H H 8.45 . . 423 . 51 GLN HA H 4.22 . . 424 . 51 GLN HB2 H 2.02 . . 425 . 51 GLN HB3 H 1.91 . . 426 . 51 GLN HG2 H 2.35 . . 427 . 51 GLN HG3 H 2.35 . . 428 . 51 GLN C C 174.30 . . 429 . 51 GLN CA C 55.71 . . 430 . 51 GLN CB C 29.49 . . 431 . 51 GLN CG C 33.26 . . 432 . 51 GLN N N 120.4 . . 433 . 52 ALA H H 8.23 . . 434 . 52 ALA HA H 4.21 . . 435 . 52 ALA HB H 1.25 . . 436 . 52 ALA C C 176.60 . . 437 . 52 ALA CA C 52.43 . . 438 . 52 ALA CB C 19.53 . . 439 . 52 ALA N N 124.9 . . 440 . 53 TYR H H 8.00 . . 441 . 53 TYR HA H 4.48 . . 442 . 53 TYR HB2 H 2.85 . . 443 . 53 TYR HB3 H 2.85 . . 444 . 53 TYR C C 174.60 . . 445 . 53 TYR CA C 57.60 . . 446 . 53 TYR CB C 39.26 . . 447 . 53 TYR N N 119.5 . . 448 . 54 TYR H H 7.96 . . 449 . 54 TYR HA H 4.72 . . 450 . 54 TYR HB2 H 2.91 . . 451 . 54 TYR HB3 H 2.70 . . 452 . 54 TYR CA C 55.22 . . 453 . 54 TYR CB C 38.71 . . 454 . 54 TYR N N 123.9 . . 455 . 56 ARG H H 8.39 . . 456 . 56 ARG HA H 4.30 . . 457 . 56 ARG HB2 H 1.84 . . 458 . 56 ARG HB3 H 1.75 . . 459 . 56 ARG HG2 H 1.64 . . 460 . 56 ARG HG3 H 1.64 . . 461 . 56 ARG HD2 H 3.18 . . 462 . 56 ARG HD3 H 3.18 . . 463 . 56 ARG C C 176.90 . . 464 . 56 ARG CA C 56.42 . . 465 . 56 ARG CB C 30.91 . . 466 . 56 ARG CG C 27.27 . . 467 . 56 ARG CD C 43.57 . . 468 . 56 ARG N N 120.9 . . 469 . 57 GLY H H 8.40 . . 470 . 57 GLY HA2 H 3.91 . . 471 . 57 GLY C C 174.30 . . 472 . 57 GLY CA C 45.52 . . 473 . 57 GLY N N 109.6 . . 474 . 58 HIS H H 8.37 . . 475 . 58 HIS HA H 4.62 . . 476 . 58 HIS HB2 H 3.21 . . 477 . 58 HIS HB3 H 3.09 . . 478 . 58 HIS C C 175.20 . . 479 . 58 HIS CA C 55.56 . . 480 . 58 HIS CB C 30.03 . . 481 . 58 HIS N N 118.6 . . 482 . 59 GLY H H 8.50 . . 483 . 59 GLY HA2 H 3.87 . . 484 . 59 GLY C C 176.30 . . 485 . 59 GLY CA C 45.25 . . 486 . 59 GLY N N 109.9 . . 487 . 60 HIS H H 8.42 . . 488 . 60 HIS HA H 4.68 . . 489 . 60 HIS HB2 H 3.22 . . 490 . 60 HIS HB3 H 3.10 . . 491 . 60 HIS C C 175.30 . . 492 . 60 HIS CA C 55.66 . . 493 . 60 HIS CB C 29.52 . . 494 . 60 HIS N N 118.7 . . 495 . 61 GLY H H 8.57 . . 496 . 61 GLY HA2 H 3.97 . . 497 . 61 GLY HA3 H 3.97 . . 498 . 61 GLY C C 174.60 . . 499 . 61 GLY CA C 45.42 . . 500 . 61 GLY N N 110.4 . . 501 . 62 GLY H H 8.38 . . 502 . 62 GLY HA2 H 3.96 . . 503 . 62 GLY HA3 H 3.96 . . 504 . 62 GLY C C 174.70 . . 505 . 62 GLY CA C 45.32 . . 506 . 62 GLY N N 108.9 . . 507 . 63 GLY H H 8.36 . . 508 . 63 GLY HA2 H 3.96 . . 509 . 63 GLY HA3 H 3.96 . . 510 . 63 GLY C C 174.20 . . 511 . 63 GLY CA C 45.22 . . 512 . 63 GLY N N 108.9 . . 513 . 64 LEU H H 8.26 . . 514 . 64 LEU HA H 4.33 . . 515 . 64 LEU HB2 H 1.61 . . 516 . 64 LEU HB3 H 1.61 . . 517 . 64 LEU HG H 1.61 . . 518 . 64 LEU HD1 H 0.88 . . 519 . 64 LEU HD2 H 0.88 . . 520 . 64 LEU C C 178.00 . . 521 . 64 LEU CA C 55.36 . . 522 . 64 LEU CB C 42.44 . . 523 . 64 LEU N N 121.6 . . 524 . 65 GLY H H 8.51 . . 525 . 65 GLY HA2 H 3.93 . . 526 . 65 GLY HA3 H 3.93 . . 527 . 65 GLY C C 173.90 . . 528 . 65 GLY CA C 45.42 . . 529 . 65 GLY N N 109.9 . . 530 . 66 GLU H H 8.27 . . 531 . 66 GLU HA H 4.30 . . 532 . 66 GLU HB2 H 2.05 . . 533 . 66 GLU HB3 H 1.92 . . 534 . 66 GLU HG2 H 2.24 . . 535 . 66 GLU HG3 H 2.24 . . 536 . 66 GLU C C 176.90 . . 537 . 66 GLU CA C 56.60 . . 538 . 66 GLU CB C 30.41 . . 539 . 66 GLU N N 120.5 . . 540 . 67 GLY H H 8.45 . . 541 . 67 GLY HA2 H 3.93 . . 542 . 67 GLY C C 173.70 . . 543 . 67 GLY CA C 45.13 . . 544 . 67 GLY N N 109.9 . . 545 . 68 GLU H H 8.21 . . 546 . 68 GLU HA H 4.55 . . 547 . 68 GLU HB2 H 2.05 . . 548 . 68 GLU HB3 H 1.85 . . 549 . 68 GLU HG2 H 2.26 . . 550 . 68 GLU HG3 H 2.26 . . 551 . 68 GLU CA C 54.37 . . 552 . 68 GLU CB C 29.92 . . 553 . 68 GLU N N 121.5 . . 554 . 69 PRO HA H 4.40 . . 555 . 69 PRO HB2 H 2.26 . . 556 . 69 PRO HB3 H 1.91 . . 557 . 69 PRO HG2 H 2.00 . . 558 . 69 PRO HG3 H 2.00 . . 559 . 69 PRO HD2 H 3.95 . . 560 . 69 PRO HD3 H 3.95 . . 561 . 69 PRO C C 176.70 . . 562 . 69 PRO CA C 63.57 . . 563 . 69 PRO CB C 31.51 . . 564 . 69 PRO CG C 27.74 . . 565 . 69 PRO CD C 50.71 . . 566 . 70 ASP H H 8.42 . . 567 . 70 ASP HA H 4.56 . . 568 . 70 ASP HB2 H 2.68 . . 569 . 70 ASP HB3 H 2.68 . . 570 . 70 ASP C C 176.90 . . 571 . 70 ASP CA C 56.77 . . 572 . 70 ASP CB C 41.28 . . 573 . 70 ASP N N 120.3 . . 574 . 71 GLY H H 8.32 . . 575 . 71 GLY HA2 H 3.91 . . 576 . 71 GLY C C 174.30 . . 577 . 71 GLY CA C 45.56 . . 578 . 71 GLY N N 109.3 . . 579 . 72 HIS H H 8.35 . . 580 . 72 HIS HA H 4.60 . . 581 . 72 HIS HB2 H 3.19 . . 582 . 72 HIS HB3 H 3.19 . . 583 . 72 HIS C C 174.30 . . 584 . 72 HIS CA C 56.16 . . 585 . 72 HIS CB C 29.29 . . 586 . 72 HIS N N 118.4 . . 587 . 73 ALA H H 8.32 . . 588 . 73 ALA HA H 4.27 . . 589 . 73 ALA HB H 1.35 . . 590 . 73 ALA C C 177.70 . . 591 . 73 ALA CA C 52.79 . . 592 . 73 ALA CB C 19.33 . . 593 . 73 ALA N N 124.9 . . 594 . 74 GLU H H 8.50 . . 595 . 74 GLU HA H 4.29 . . 596 . 74 GLU HB2 H 2.05 . . 597 . 74 GLU HB3 H 1.92 . . 598 . 74 GLU HG2 H 2.32 . . 599 . 74 GLU HG3 H 2.32 . . 600 . 74 GLU C C 176.70 . . 601 . 74 GLU CA C 56.09 . . 602 . 74 GLU CB C 29.36 . . 603 . 74 GLU CG C 33.40 . . 604 . 74 GLU N N 120.2 . . 605 . 75 ARG H H 8.32 . . 606 . 75 ARG HA H 4.30 . . 607 . 75 ARG HB2 H 1.96 . . 608 . 75 ARG HB3 H 1.84 . . 609 . 75 ARG HG2 H 1.62 . . 610 . 75 ARG HG3 H 1.62 . . 611 . 75 ARG HD2 H 3.18 . . 612 . 75 ARG HD3 H 3.18 . . 613 . 75 ARG C C 176.10 . . 614 . 75 ARG CA C 56.16 . . 615 . 75 ARG CB C 30.84 . . 616 . 75 ARG CG C 27.34 . . 617 . 75 ARG CD C 43.50 . . 618 . 75 ARG N N 121.4 . . 619 . 76 ASP H H 8.35 . . 620 . 76 ASP HA H 4.58 . . 621 . 76 ASP HB2 H 2.69 . . 622 . 76 ASP HB3 H 2.69 . . 623 . 76 ASP C C 176.80 . . 624 . 76 ASP CA C 56.70 . . 625 . 76 ASP CB C 41.30 . . 626 . 76 ASP N N 121.1 . . 627 . 77 GLY H H 8.36 . . 628 . 77 GLY HA2 H 3.93 . . 629 . 77 GLY HA3 H 3.93 . . 630 . 77 GLY C C 174.30 . . 631 . 77 GLY CA C 45.48 . . 632 . 77 GLY N N 109.1 . . 633 . 78 GLN H H 8.22 . . 634 . 78 GLN HA H 4.38 . . 635 . 78 GLN HB2 H 2.11 . . 636 . 78 GLN HB3 H 2.00 . . 637 . 78 GLN HG2 H 2.33 . . 638 . 78 GLN HG3 H 2.33 . . 639 . 78 GLN C C 176.30 . . 640 . 78 GLN CA C 55.86 . . 641 . 78 GLN CB C 29.57 . . 642 . 78 GLN CG C 33.53 . . 643 . 78 GLN N N 119.5 . . 644 . 79 THR H H 8.20 . . 645 . 79 THR HA H 4.29 . . 646 . 79 THR HB H 4.16 . . 647 . 79 THR HG2 H 1.18 . . 648 . 79 THR C C 174.30 . . 649 . 79 THR CA C 62.02 . . 650 . 79 THR CB C 69.88 . . 651 . 79 THR N N 115.3 . . 652 . 80 GLN H H 8.39 . . 653 . 80 GLN HA H 4.61 . . 654 . 80 GLN HB2 H 2.01 . . 655 . 80 GLN HB3 H 1.93 . . 656 . 80 GLN HG2 H 2.37 . . 657 . 80 GLN HG3 H 2.37 . . 658 . 80 GLN CA C 53.67 . . 659 . 80 GLN CB C 29.16 . . 660 . 80 GLN N N 123.7 . . 661 . 81 PRO HA H 4.31 . . 662 . 81 PRO HB2 H 2.14 . . 663 . 81 PRO HB3 H 1.67 . . 664 . 81 PRO HG2 H 1.96 . . 665 . 81 PRO HG3 H 1.96 . . 666 . 81 PRO C C 176.30 . . 667 . 81 PRO CA C 63.21 . . 668 . 81 PRO CB C 31.71 . . 669 . 81 PRO CG C 27.61 . . 670 . 81 PRO CD C 50.71 . . 671 . 82 ASN H H 8.41 . . 672 . 82 ASN HA H 4.62 . . 673 . 82 ASN HB2 H 2.73 . . 674 . 82 ASN HB3 H 2.73 . . 675 . 82 ASN C C 173.70 . . 676 . 82 ASN CA C 53.04 . . 677 . 82 ASN CB C 38.90 . . 678 . 82 ASN N N 118.3 . . 679 . 83 PHE H H 8.20 . . 680 . 83 PHE HA H 4.58 . . 681 . 83 PHE HB2 H 3.16 . . 682 . 83 PHE HB3 H 3.02 . . 683 . 83 PHE C C 176.80 . . 684 . 83 PHE CA C 56.70 . . 685 . 83 PHE CB C 39.36 . . 686 . 83 PHE N N 120.9 . . 687 . 84 GLY H H 8.35 . . 688 . 84 GLY HA2 H 3.89 . . 689 . 84 GLY HA3 H 3.89 . . 690 . 84 GLY C C 174.10 . . 691 . 84 GLY CA C 45.48 . . 692 . 84 GLY N N 110.2 . . 693 . 85 GLN H H 8.19 . . 694 . 85 GLN HA H 4.37 . . 695 . 85 GLN HB2 H 2.14 . . 696 . 85 GLN HB3 H 1.98 . . 697 . 85 GLN HG2 H 2.35 . . 698 . 85 GLN HG3 H 2.35 . . 699 . 85 GLN C C 176.20 . . 700 . 85 GLN CA C 55.96 . . 701 . 85 GLN CB C 29.47 . . 702 . 85 GLN CG C 33.47 . . 703 . 85 GLN N N 119.7 . . 704 . 86 SER H H 8.43 . . 705 . 86 SER HA H 4.43 . . 706 . 86 SER HB2 H 3.89 . . 707 . 86 SER HB3 H 3.89 . . 708 . 86 SER C C 175.10 . . 709 . 86 SER CA C 58.64 . . 710 . 86 SER CB C 63.86 . . 711 . 86 SER N N 116.9 . . 712 . 87 GLY H H 8.43 . . 713 . 87 GLY HA2 H 3.99 . . 714 . 87 GLY HA3 H 3.99 . . 715 . 87 GLY C C 174.20 . . 716 . 87 GLY CA C 45.42 . . 717 . 87 GLY N N 110.7 . . 718 . 88 THR H H 8.00 . . 719 . 88 THR HA H 4.25 . . 720 . 88 THR HB H 4.11 . . 721 . 88 THR HG2 H 1.09 . . 722 . 88 THR C C 174.30 . . 723 . 88 THR CA C 61.82 . . 724 . 88 THR CB C 69.83 . . 725 . 88 THR N N 113.5 . . 726 . 89 TYR H H 8.22 . . 727 . 89 TYR HA H 4.52 . . 728 . 89 TYR HB2 H 3.06 . . 729 . 89 TYR HB3 H 2.93 . . 730 . 89 TYR C C 176.30 . . 731 . 89 TYR CA C 58.15 . . 732 . 89 TYR CB C 38.86 . . 733 . 89 TYR N N 122.5 . . 734 . 90 GLY H H 8.31 . . 735 . 90 GLY HA2 H 3.91 . . 736 . 90 GLY HA3 H 3.91 . . 737 . 90 GLY C C 174.00 . . 738 . 90 GLY CA C 45.42 . . 739 . 90 GLY N N 110.7 . . 740 . 91 LYS H H 8.11 . . 741 . 91 LYS HA H 4.30 . . 742 . 91 LYS HB2 H 1.82 . . 743 . 91 LYS HB3 H 1.82 . . 744 . 91 LYS HG2 H 1.62 . . 745 . 91 LYS HG3 H 1.62 . . 746 . 91 LYS HD2 H 2.28 . . 747 . 91 LYS HD3 H 2.28 . . 748 . 91 LYS C C 176.20 . . 749 . 91 LYS CA C 56.95 . . 750 . 91 LYS CB C 30.51 . . 751 . 91 LYS CG C 27.27 . . 752 . 91 LYS CD C 29.76 . . 753 . 91 LYS CE C 43.50 . . 754 . 91 LYS N N 120.8 . . 755 . 92 GLN H H 8.35 . . 756 . 92 GLN HA H 4.27 . . 757 . 92 GLN HB2 H 1.89 . . 758 . 92 GLN HB3 H 1.81 . . 759 . 92 GLN HG2 H 3.18 . . 760 . 92 GLN HG3 H 3.18 . . 761 . 92 GLN C C 176.20 . . 762 . 92 GLN CA C 56.70 . . 763 . 92 GLN CB C 30.52 . . 764 . 92 GLN N N 120.8 . . 765 . 93 ASP H H 8.35 . . 766 . 93 ASP CA C 54.54 . . 767 . 93 ASP CB C 41.41 . . 768 . 93 ASP N N 121.5 . . 769 . 95 GLN HA H 4.27 . . 770 . 95 GLN HB2 H 2.73 . . 771 . 95 GLN HB3 H 2.61 . . 772 . 95 GLN HG2 H 3.11 . . 773 . 95 GLN HG3 H 3.11 . . 774 . 95 GLN C C 176.20 . . 775 . 96 GLN H H 8.42 . . 776 . 96 GLN HA H 4.27 . . 777 . 96 GLN HB2 H 2.11 . . 778 . 96 GLN HB3 H 1.99 . . 779 . 96 GLN HG2 H 2.38 . . 780 . 96 GLN HG3 H 2.38 . . 781 . 96 GLN C C 176.00 . . 782 . 96 GLN CA C 56.11 . . 783 . 96 GLN CB C 30.41 . . 784 . 96 GLN CG C 33.47 . . 785 . 96 GLN N N 121.2 . . 786 . 97 ALA H H 8.34 . . 787 . 97 ALA CA C 52.79 . . 788 . 97 ALA CB C 19.33 . . 789 . 97 ALA N N 124.9 . . 790 . 99 GLN HA H 4.29 . . 791 . 99 GLN HB2 H 2.05 . . 792 . 99 GLN HB3 H 1.92 . . 793 . 99 GLN HG2 H 2.31 . . 794 . 99 GLN HG3 H 2.31 . . 795 . 99 GLN C C 176.30 . . 796 . 99 GLN CA C 56.11 . . 797 . 99 GLN CB C 29.56 . . 798 . 99 GLN CG C 33.47 . . 799 . 100 ARG H H 8.32 . . 800 . 100 ARG HA H 4.29 . . 801 . 100 ARG HB2 H 1.83 . . 802 . 100 ARG HB3 H 1.77 . . 803 . 100 ARG HG2 H 1.65 . . 804 . 100 ARG HG3 H 1.65 . . 805 . 100 ARG HD2 H 3.20 . . 806 . 100 ARG HD3 H 3.20 . . 807 . 100 ARG C C 176.00 . . 808 . 100 ARG CA C 56.13 . . 809 . 100 ARG CB C 30.97 . . 810 . 100 ARG CG C 27.27 . . 811 . 100 ARG CD C 43.70 . . 812 . 100 ARG N N 122.4 . . 813 . 101 ALA H H 8.36 . . 814 . 101 ALA HA H 4.26 . . 815 . 101 ALA HB H 1.38 . . 816 . 101 ALA C C 177.90 . . 817 . 101 ALA CA C 52.73 . . 818 . 101 ALA CB C 19.12 . . 819 . 101 ALA N N 125.4 . . 820 . 102 ARG H H 8.31 . . 821 . 102 ARG HA H 4.29 . . 822 . 102 ARG HB2 H 1.83 . . 823 . 102 ARG HB3 H 1.79 . . 824 . 102 ARG HG2 H 1.65 . . 825 . 102 ARG HG3 H 1.65 . . 826 . 102 ARG HD2 H 3.27 . . 827 . 102 ARG HD3 H 3.27 . . 828 . 102 ARG C C 176.10 . . 829 . 102 ARG CA C 56.11 . . 830 . 102 ARG CB C 31.13 . . 831 . 102 ARG CG C 27.13 . . 832 . 102 ARG CD C 43.63 . . 833 . 102 ARG N N 119.2 . . 834 . 103 ALA H H 8.45 . . 835 . 103 ALA HA H 4.35 . . 836 . 103 ALA HB H 1.39 . . 837 . 103 ALA C C 177.50 . . 838 . 103 ALA CA C 52.53 . . 839 . 103 ALA CB C 19.38 . . 840 . 103 ALA N N 125.5 . . 841 . 104 ASP H H 8.35 . . 842 . 104 ASP HA H 4.56 . . 843 . 104 ASP HB2 H 2.67 . . 844 . 104 ASP HB3 H 2.67 . . 845 . 104 ASP C C 176.30 . . 846 . 104 ASP CA C 54.52 . . 847 . 104 ASP CB C 41.10 . . 848 . 104 ASP N N 119.4 . . 849 . 105 SER H H 8.12 . . 850 . 105 SER HA H 4.44 . . 851 . 105 SER HB2 H 3.87 . . 852 . 105 SER HB3 H 3.87 . . 853 . 105 SER C C 174.00 . . 854 . 105 SER CA C 58.44 . . 855 . 105 SER CB C 64.01 . . 856 . 105 SER N N 114.7 . . 857 . 106 ASP H H 8.37 . . 858 . 106 ASP HA H 4.66 . . 859 . 106 ASP HB2 H 2.70 . . 860 . 106 ASP HB3 H 2.70 . . 861 . 106 ASP C C 176.30 . . 862 . 106 ASP CA C 54.62 . . 863 . 106 ASP CB C 41.25 . . 864 . 106 ASP N N 122.4 . . 865 . 107 SER H H 8.20 . . 866 . 107 SER HA H 4.43 . . 867 . 107 SER HB2 H 3.87 . . 868 . 107 SER HB3 H 3.87 . . 869 . 107 SER C C 174.40 . . 870 . 107 SER CA C 58.54 . . 871 . 107 SER CB C 64.06 . . 872 . 107 SER N N 115.6 . . 873 . 108 ASP H H 8.39 . . 874 . 108 ASP HA H 4.36 . . 875 . 108 ASP HB2 H 2.69 . . 876 . 108 ASP HB3 H 2.69 . . 877 . 108 ASP C C 176.30 . . 878 . 108 ASP CA C 54.57 . . 879 . 108 ASP CB C 41.21 . . 880 . 108 ASP N N 122.5 . . 881 . 109 SER H H 8.21 . . 882 . 109 SER HA H 4.46 . . 883 . 109 SER HB2 H 3.87 . . 884 . 109 SER HB3 H 3.87 . . 885 . 109 SER C C 174.60 . . 886 . 109 SER CA C 58.54 . . 887 . 109 SER CB C 64.11 . . 888 . 109 SER N N 115.7 . . 889 . 110 GLU H H 8.43 . . 890 . 110 GLU HA H 4.33 . . 891 . 110 GLU HB2 H 2.09 . . 892 . 110 GLU HB3 H 1.95 . . 893 . 110 GLU HG2 H 2.28 . . 894 . 110 GLU HG3 H 2.28 . . 895 . 110 GLU C C 176.80 . . 896 . 110 GLU CA C 56.76 . . 897 . 110 GLU CB C 30.41 . . 898 . 110 GLU CG C 35.75 . . 899 . 110 GLU N N 122.7 . . 900 . 111 GLY H H 8.35 . . 901 . 111 GLY HA2 H 3.92 . . 902 . 111 GLY C C 173.70 . . 903 . 111 GLY CA C 45.32 . . 904 . 111 GLY N N 109.6 . . 905 . 112 ASP H H 8.25 . . 906 . 112 ASP HA H 4.62 . . 907 . 112 ASP HB2 H 2.83 . . 908 . 112 ASP HB3 H 1.74 . . 909 . 112 ASP C C 176.10 . . 910 . 112 ASP CA C 54.27 . . 911 . 112 ASP CB C 41.35 . . 912 . 112 ASP N N 120.5 . . 913 . 113 ASP H H 8.45 . . 914 . 113 ASP HA H 4.63 . . 915 . 113 ASP HB2 H 2.68 . . 916 . 113 ASP HB3 H 2.68 . . 917 . 113 ASP C C 176.40 . . 918 . 113 ASP CA C 54.37 . . 919 . 113 ASP CB C 41.10 . . 920 . 113 ASP N N 121.2 . . 921 . 114 THR H H 8.19 . . 922 . 114 THR CA C 62.22 . . 923 . 114 THR CB C 69.83 . . 924 . 114 THR N N 114.1 . . stop_ save_