data_15198 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title "Backbone 1H, 13C, and 15N Chemical Shift Assignments for all-Ala-HEWL" loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schloerb Christian . . 2 Ackermann Katrin . . 3 Richter Christian . . 4 Schwalbe Harald . . stop_ _BMRB_accession_number 15198 _BMRB_flat_file_name bmr15198.str _Entry_type new _Submission_date 2007-03-28 _Accession_date 2007-03-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 427 "13C chemical shifts" 363 "15N chemical shifts" 125 stop_ loop_ _Related_BMRB_accession_number _Relationship 6622 "Backbone assignment for HEWL-SMe" stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Heterologous expression of hen egg white lysozyme and resonance assignment of tryptophan side chains in its non-native states ; _Citation_status published _Citation_type journal _PubMed_ID 16258828 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schloerb Christian . . 2 Ackermann Katrin . . 3 Richter Christian . . 4 Wirmer Julia . . 5 Schwalbe Harald . . stop_ _Journal_abbreviation "J. Biomol. NMR" _Journal_volume 33 _Journal_issue 2 _Page_first 95 _Page_last 104 _Year 2005 save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "all-Ala-hen egg white lysozyme" loop_ _Mol_system_component_name _Mol_label "all-Ala-hen egg white lysozyme" $all-Ala-Hen_egg_white_lysoyzme stop_ _System_physical_state unfolded _System_oligomer_state monomer _System_paramagnetic no save_ ######################## # Monomeric polymers # ######################## save_all-Ala-Hen_egg_white_lysoyzme _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common all-Ala-Hen_egg_white_lysoyzme _Mol_thiol_state "not present" _Details "All 8 cysteines of HEWL have been replaced by alanines" ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; MKVFGRAELAAAMKRHGLDN YRGYSLGNWVAAAKFESNFN TQATNRNTDGSTDYGILQIN SRWWANDGRTPGSRNLANIP ASALLSSDITASVNAAKKIV SDGNGMNAWVAWRNRAKGTD VQAWIRGARL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 VAL 4 PHE 5 GLY 6 ARG 7 ALA 8 GLU 9 LEU 10 ALA 11 ALA 12 ALA 13 MET 14 LYS 15 ARG 16 HIS 17 GLY 18 LEU 19 ASP 20 ASN 21 TYR 22 ARG 23 GLY 24 TYR 25 SER 26 LEU 27 GLY 28 ASN 29 TRP 30 VAL 31 ALA 32 ALA 33 ALA 34 LYS 35 PHE 36 GLU 37 SER 38 ASN 39 PHE 40 ASN 41 THR 42 GLN 43 ALA 44 THR 45 ASN 46 ARG 47 ASN 48 THR 49 ASP 50 GLY 51 SER 52 THR 53 ASP 54 TYR 55 GLY 56 ILE 57 LEU 58 GLN 59 ILE 60 ASN 61 SER 62 ARG 63 TRP 64 TRP 65 ALA 66 ASN 67 ASP 68 GLY 69 ARG 70 THR 71 PRO 72 GLY 73 SER 74 ARG 75 ASN 76 LEU 77 ALA 78 ASN 79 ILE 80 PRO 81 ALA 82 SER 83 ALA 84 LEU 85 LEU 86 SER 87 SER 88 ASP 89 ILE 90 THR 91 ALA 92 SER 93 VAL 94 ASN 95 ALA 96 ALA 97 LYS 98 LYS 99 ILE 100 VAL 101 SER 102 ASP 103 GLY 104 ASN 105 GLY 106 MET 107 ASN 108 ALA 109 TRP 110 VAL 111 ALA 112 TRP 113 ARG 114 ASN 115 ARG 116 ALA 117 LYS 118 GLY 119 THR 120 ASP 121 VAL 122 GLN 123 ALA 124 TRP 125 ILE 126 ARG 127 GLY 128 ALA 129 ARG 130 LEU stop_ _Sequence_homology_query_date 2008-06-26 _Sequence_homology_query_revised_last_date 2007-04-26 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $all-Ala-Hen_egg_white_lysoyzme ? 9031 Eukaryota Metazoa Gallus gallus 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 $all-Ala-Hen_egg_white_lysoyzme "recombinant technology" ? Escherichia coli ? pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $all-Ala-Hen_egg_white_lysoyzme 0.5 mM "[U-99% 13C; U-99% 15N]" stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address "Bruker Biospin" ? ? stop_ loop_ _Task collection stop_ save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5 loop_ _Vendor _Address _Electronic_address "Keller and Wuthrich" ? ? stop_ loop_ _Task "chemical shift assignment" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 save_ save_spectrometer_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 save_ save_spectrometer_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name "2D 1H-15N HSQC" _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNCACB" _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNCA" _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name "3D CBCA(CO)NH" _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HCACO" _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name "3D H(CCO)NH" _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HBHA(CO)NH" _Sample_label $sample_1 save_ save_3D_HNN_8 _Saveframe_category NMR_applied_experiment _Experiment_name "3D HNN" _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 ? K pH 2.0 ? pH pressure 1 ? atm "ionic strength" 0 ? M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference 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 0.00 internal direct ? ? ? 1.000000000 DSS C 13 "methyl protons" ppm 0.00 n/a indirect ? ? ? 0.251449530 DSS N 15 "methyl protons" ppm 0.00 n/a indirect ? ? ? 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Experiment_label "2D 1H-15N HSQC" "3D HNCACB" "3D HBHA(CO)NH" "3D HCACO" stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name "all-Ala-hen egg white lysozyme" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 LYS H H 8.706 0.05 1 2 2 LYS HA H 4.411 0.05 1 3 2 LYS HB2 H 1.731 0.05 2 4 2 LYS C C 173.13 0.2 1 5 2 LYS CA C 56.02 0.2 1 6 2 LYS CB C 32.62 0.2 1 7 2 LYS N N 126.11 0.1 1 8 3 VAL H H 8.253 0.05 1 9 3 VAL HA H 4.138 0.05 1 10 3 VAL HB H 2.011 0.05 1 11 3 VAL C C 173.21 0.2 1 12 3 VAL CA C 61.63 0.2 1 13 3 VAL CB C 32.58 0.2 1 14 3 VAL N N 123.71 0.1 1 15 4 PHE H H 8.508 0.05 1 16 4 PHE HA H 4.704 0.05 1 17 4 PHE HB2 H 3.167 0.05 2 18 4 PHE HB3 H 3.036 0.05 2 19 4 PHE C C 173.74 0.2 1 20 4 PHE CA C 57.3 0.2 1 21 4 PHE CB C 39.6 0.2 1 22 4 PHE N N 126.24 0.1 1 23 5 GLY H H 8.357 0.05 1 24 5 GLY HA2 H 3.994 0.05 2 25 5 GLY HA3 H 3.994 0.05 2 26 5 GLY C C 171.7 0.2 1 27 5 GLY CA C 44.82 0.2 1 28 5 GLY N N 111.82 0.1 1 29 6 ARG H H 8.308 0.05 1 30 6 ARG HA H 4.252 0.05 1 31 6 ARG HB2 H 1.876 0.05 2 32 6 ARG C C 174.6 0.2 1 33 6 ARG CA C 56.82 0.2 1 34 6 ARG CB C 30.1 0.2 1 35 6 ARG N N 122.25 0.1 1 36 7 ALA H H 8.492 0.05 1 37 7 ALA HA H 4.29 0.05 1 38 7 ALA HB H 1.442 0.05 1 39 7 ALA C C 176.24 0.2 1 40 7 ALA CA C 53.01 0.2 1 41 7 ALA CB C 18.31 0.2 1 42 7 ALA N N 125.48 0.1 1 43 8 GLU H H 8.217 0.05 1 44 8 GLU HA H 4.299 0.05 1 45 8 GLU HB2 H 2.071 0.05 2 46 8 GLU C C 174.48 0.2 1 47 8 GLU CA C 56.42 0.2 1 48 8 GLU CB C 27.81 0.2 1 49 8 GLU N N 120.72 0.1 1 50 9 LEU H H 8.17 0.05 1 51 9 LEU C C 175.46 0.2 1 52 9 LEU CA C 55.65 0.2 1 53 9 LEU CB C 41.71 0.2 1 54 9 LEU N N 124.22 0.1 1 55 11 ALA H H 8.039 0.05 1 56 11 ALA HA H 4.239 0.05 1 57 11 ALA HB H 1.604 0.05 1 58 11 ALA C C 176.28 0.2 1 59 11 ALA CA C 53.26 0.2 1 60 11 ALA CB C 18.27 0.2 1 61 11 ALA N N 122.87 0.1 1 62 12 ALA H H 8.108 0.05 1 63 12 ALA HA H 4.252 0.05 1 64 12 ALA HB H 1.465 0.05 1 65 12 ALA C C 176.27 0.2 1 66 12 ALA CA C 53.18 0.2 1 67 12 ALA CB C 18.21 0.2 1 68 12 ALA N N 123.13 0.1 1 69 13 MET H H 8.091 0.05 1 70 13 MET HA H 4.216 0.05 1 71 13 MET HB2 H 1.454 0.05 2 72 13 MET C C 176.28 0.2 1 73 13 MET CA C 55.82 0.2 1 74 13 MET CB C 32.25 0.2 1 75 13 MET N N 119.51 0.1 1 76 14 LYS H H 8.06 0.05 1 77 14 LYS HA H 4.29 0.05 1 78 14 LYS HB2 H 1.862 0.05 2 79 14 LYS C C 174.53 0.2 1 80 14 LYS CA C 56.49 0.2 1 81 14 LYS CB C 32.3 0.2 1 82 14 LYS N N 122.81 0.1 1 83 15 ARG H H 8.145 0.05 1 84 15 ARG HA H 4.299 0.05 1 85 15 ARG HB2 H 1.824 0.05 2 86 15 ARG C C 173.94 0.2 1 87 15 ARG CA C 56.18 0.2 1 88 15 ARG CB C 30.17 0.2 1 89 15 ARG N N 122.21 0.1 1 90 16 HIS H H 8.464 0.05 1 91 16 HIS HA H 4.739 0.05 1 92 16 HIS HB2 H 3.349 0.05 2 93 16 HIS HB3 H 3.235 0.05 2 94 16 HIS C C 172.44 0.2 1 95 16 HIS CA C 55.17 0.2 1 96 16 HIS CB C 28.49 0.2 1 97 16 HIS N N 120.17 0.1 1 98 17 GLY H H 8.425 0.05 1 99 17 GLY HA2 H 4.007 0.05 2 100 17 GLY HA3 H 4.007 0.05 2 101 17 GLY C C 171.62 0.2 1 102 17 GLY CA C 44.92 0.2 1 103 17 GLY N N 111.09 0.1 1 104 18 LEU H H 8.201 0.05 1 105 18 LEU HA H 4.392 0.05 1 106 18 LEU HB2 H 1.624 0.05 2 107 18 LEU C C 174.93 0.2 1 108 18 LEU CA C 55.03 0.2 1 109 18 LEU CB C 41.99 0.2 1 110 18 LEU N N 122.7 0.1 1 111 19 ASP H H 8.531 0.05 1 112 19 ASP HA H 4.681 0.05 1 113 19 ASP HB2 H 2.896 0.05 2 114 19 ASP HB3 H 2.826 0.05 2 115 19 ASP C C 172.35 0.2 1 116 19 ASP CA C 52.61 0.2 1 117 19 ASP CB C 37.43 0.2 1 118 19 ASP N N 120.36 0.1 1 119 20 ASN H H 8.297 0.05 1 120 20 ASN HA H 4.709 0.05 1 121 20 ASN HB2 H 2.738 0.05 2 122 20 ASN C C 172.37 0.2 1 123 20 ASN CA C 52.71 0.2 1 124 20 ASN CB C 38.1 0.2 1 125 20 ASN N N 120.16 0.1 1 126 21 TYR H H 8.072 0.05 1 127 21 TYR HA H 4.546 0.05 1 128 21 TYR HB2 H 3.027 0.05 2 129 21 TYR C C 173.42 0.2 1 130 21 TYR CA C 57.9 0.2 1 131 21 TYR CB C 38.1 0.2 1 132 21 TYR N N 121.73 0.1 1 133 22 ARG H H 8.246 0.05 1 134 22 ARG HA H 4.23 0.05 1 135 22 ARG HB2 H 1.799 0.05 2 136 22 ARG HB3 H 1.65 0.05 2 137 22 ARG C C 173.94 0.2 1 138 22 ARG CA C 55.88 0.2 1 139 22 ARG CB C 29.91 0.2 1 140 22 ARG N N 124.54 0.1 1 141 23 GLY H H 7.773 0.05 1 142 23 GLY HA2 H 3.889 0.05 2 143 23 GLY HA3 H 3.889 0.05 2 144 23 GLY C C 171.26 0.2 1 145 23 GLY CA C 44.83 0.2 1 146 23 GLY N N 109.88 0.1 1 147 24 TYR H H 7.943 0.05 1 148 24 TYR HA H 4.611 0.05 1 149 24 TYR HB2 H 3.041 0.05 2 150 24 TYR HB3 H 2.938 0.05 2 151 24 TYR C C 173.48 0.2 1 152 24 TYR CA C 57.56 0.2 1 153 24 TYR CB C 38.58 0.2 1 154 24 TYR N N 121.02 0.1 1 155 25 SER H H 8.27 0.05 1 156 25 SER HA H 4.471 0.05 1 157 25 SER HB2 H 3.861 0.05 2 158 25 SER C C 171.96 0.2 1 159 25 SER CA C 57.71 0.2 1 160 25 SER CB C 63.7 0.2 1 161 25 SER N N 118.77 0.1 1 162 26 LEU H H 8.225 0.05 1 163 26 LEU HA H 4.348 0.05 1 164 26 LEU HB2 H 1.645 0.05 2 165 26 LEU C C 175.42 0.2 1 166 26 LEU CA C 55.31 0.2 1 167 26 LEU CB C 41.8 0.2 1 168 26 LEU N N 125.17 0.1 1 169 27 GLY H H 8.233 0.05 1 170 27 GLY HA2 H 3.866 0.05 2 171 27 GLY HA3 H 3.866 0.05 2 172 27 GLY C C 171.58 0.2 1 173 27 GLY CA C 45 0.2 1 174 27 GLY N N 109.59 0.1 1 175 28 ASN H H 8.192 0.05 1 176 28 ASN HA H 4.73 0.05 1 177 28 ASN HB2 H 2.749 0.05 2 178 28 ASN C C 172.66 0.2 1 179 28 ASN CA C 52.88 0.2 1 180 28 ASN CB C 38.2 0.2 1 181 28 ASN N N 119.93 0.1 1 182 29 TRP H H 8.088 0.05 1 183 29 TRP HA H 4.611 0.05 1 184 29 TRP HB2 H 3.297 0.05 2 185 29 TRP C C 173.9 0.2 1 186 29 TRP CA C 57.71 0.2 1 187 29 TRP CB C 28.87 0.2 1 188 29 TRP N N 122.98 0.1 1 189 30 VAL H H 7.746 0.05 1 190 30 VAL HA H 3.873 0.05 1 191 30 VAL HB H 1.941 0.05 1 192 30 VAL C C 173.36 0.2 1 193 30 VAL CA C 62.31 0.2 1 194 30 VAL CB C 32.38 0.2 1 195 30 VAL N N 123.47 0.1 1 196 31 ALA H H 8.038 0.05 1 197 31 ALA HA H 4.221 0.05 1 198 31 ALA HB H 1.409 0.05 1 199 31 ALA C C 175.49 0.2 1 200 31 ALA CA C 52.42 0.2 1 201 31 ALA CB C 18.46 0.2 1 202 31 ALA N N 127.55 0.1 1 203 32 ALA H H 8.098 0.05 1 204 32 ALA HA H 4.229 0.05 1 205 32 ALA HB H 1.409 0.05 1 206 32 ALA C C 175.73 0.2 1 207 32 ALA CA C 52.44 0.2 1 208 32 ALA CB C 18.49 0.2 1 209 32 ALA N N 123.75 0.1 1 210 33 ALA H H 8.116 0.05 1 211 33 ALA HA H 4.234 0.05 1 212 33 ALA HB H 1.368 0.05 1 213 33 ALA C C 175.73 0.2 1 214 33 ALA CA C 52.44 0.2 1 215 33 ALA CB C 18.49 0.2 1 216 33 ALA N N 123.79 0.1 1 217 34 LYS H H 8.071 0.05 1 218 34 LYS HA H 4.201 0.05 1 219 34 LYS HB2 H 1.712 0.05 2 220 34 LYS C C 174.15 0.2 1 221 34 LYS CA C 56.41 0.2 1 222 34 LYS CB C 32.34 0.2 1 223 34 LYS N N 120.7 0.1 1 224 35 PHE H H 8.105 0.05 1 225 35 PHE HA H 4.616 0.05 1 226 35 PHE HB2 H 3.162 0.05 2 227 35 PHE HB3 H 3.072 0.05 2 228 35 PHE C C 173.38 0.2 1 229 35 PHE CA C 57.68 0.2 1 230 35 PHE CB C 39.05 0.2 1 231 35 PHE N N 121.59 0.1 1 232 36 GLU H H 8.155 0.05 1 233 36 GLU HA H 4.36 0.05 1 234 36 GLU HB2 H 2.099 0.05 2 235 36 GLU HB3 H 1.964 0.05 2 236 36 GLU C C 173.4 0.2 1 237 36 GLU CA C 55.34 0.2 1 238 36 GLU CB C 28.33 0.2 1 239 36 GLU N N 122.68 0.1 1 240 37 SER H H 8.273 0.05 1 241 37 SER HA H 4.383 0.05 1 242 37 SER HB2 H 3.866 0.05 2 243 37 SER C C 171.88 0.2 1 244 37 SER CA C 58.39 0.2 1 245 37 SER CB C 63.47 0.2 1 246 37 SER N N 117.77 0.1 1 247 38 ASN H H 8.351 0.05 1 248 38 ASN HA H 4.704 0.05 1 249 38 ASN HB2 H 2.738 0.05 2 250 38 ASN C C 172.62 0.2 1 251 38 ASN CA C 53.12 0.2 1 252 38 ASN CB C 38.34 0.2 1 253 38 ASN N N 121.28 0.1 1 254 39 PHE H H 8.154 0.05 1 255 39 PHE HA H 4.602 0.05 1 256 39 PHE HB2 H 3.167 0.05 2 257 39 PHE HB3 H 3.031 0.05 2 258 39 PHE C C 173.2 0.2 1 259 39 PHE CA C 57.8 0.2 1 260 39 PHE CB C 38.88 0.2 1 261 39 PHE N N 121.48 0.1 1 262 40 ASN H H 8.346 0.05 1 263 40 ASN HA H 4.756 0.05 1 264 40 ASN HB2 H 2.882 0.05 2 265 40 ASN HB3 H 2.747 0.05 2 266 40 ASN C C 173.18 0.2 1 267 40 ASN CA C 53.04 0.2 1 268 40 ASN CB C 38.29 0.2 1 269 40 ASN N N 121.25 0.1 1 270 41 THR H H 8.12 0.05 1 271 41 THR HA H 4.321 0.05 1 272 41 THR HB H 4.294 0.05 1 273 41 THR C C 172.43 0.2 1 274 41 THR CA C 61.92 0.2 1 275 41 THR CB C 69.3 0.2 1 276 41 THR N N 115.6 0.1 1 277 42 GLN H H 8.331 0.05 1 278 42 GLN HA H 4.35 0.05 1 279 42 GLN HB2 H 2.151 0.05 2 280 42 GLN HB3 H 2.029 0.05 2 281 42 GLN C C 173.58 0.2 1 282 42 GLN CA C 55.69 0.2 1 283 42 GLN CB C 28.76 0.2 1 284 42 GLN N N 123.18 0.1 1 285 43 ALA H H 8.282 0.05 1 286 43 ALA HA H 4.374 0.05 1 287 43 ALA HB H 1.442 0.05 1 288 43 ALA C C 175.69 0.2 1 289 43 ALA CA C 52.43 0.2 1 290 43 ALA CB C 18.62 0.2 1 291 43 ALA N N 125.97 0.1 1 292 44 THR H H 8.103 0.05 1 293 44 THR HA H 4.325 0.05 1 294 44 THR HB H 4.171 0.05 1 295 44 THR C C 172.05 0.2 1 296 44 THR CA C 61.69 0.2 1 297 44 THR CB C 69.49 0.2 1 298 44 THR N N 113.86 0.1 1 299 45 ASN H H 8.381 0.05 1 300 45 ASN HA H 4.753 0.05 1 301 45 ASN HB2 H 2.863 0.05 2 302 45 ASN C C 172.84 0.2 1 303 45 ASN CA C 52.93 0.2 1 304 45 ASN CB C 38.26 0.2 1 305 45 ASN N N 122.09 0.1 1 306 46 ARG H H 8.334 0.05 1 307 46 ARG HA H 4.36 0.05 1 308 46 ARG HB2 H 1.908 0.05 2 309 46 ARG HB3 H 1.782 0.05 2 310 46 ARG C C 173.75 0.2 1 311 46 ARG CA C 55.94 0.2 1 312 46 ARG CB C 30.13 0.2 1 313 46 ARG N N 122.54 0.1 1 314 47 ASN H H 8.5 0.05 1 315 47 ASN HA H 4.802 0.05 1 316 47 ASN HB2 H 2.906 0.05 2 317 47 ASN HB3 H 2.84 0.05 2 318 47 ASN C C 173.36 0.2 1 319 47 ASN CA C 53.13 0.2 1 320 47 ASN CB C 38.29 0.2 1 321 47 ASN N N 120.7 0.1 1 322 48 THR H H 8.18 0.05 1 323 48 THR HA H 4.364 0.05 1 324 48 THR HB H 4.344 0.05 1 325 48 THR C C 172.37 0.2 1 326 48 THR CA C 61.69 0.2 1 327 48 THR CB C 69.26 0.2 1 328 48 THR N N 115.17 0.1 1 329 49 ASP H H 8.51 0.05 1 330 49 ASP HA H 4.757 0.05 1 331 49 ASP HB2 H 2.976 0.05 2 332 49 ASP C C 173.29 0.2 1 333 49 ASP CA C 52.88 0.2 1 334 49 ASP CB C 37.47 0.2 1 335 49 ASP N N 121.95 0.1 1 336 50 GLY H H 8.388 0.05 1 337 50 GLY HA2 H 4.029 0.05 2 338 50 GLY HA3 H 4.029 0.05 2 339 50 GLY C C 171.95 0.2 1 340 50 GLY CA C 45.11 0.2 1 341 50 GLY N N 110.62 0.1 1 342 51 SER H H 8.175 0.05 1 343 51 SER HA H 4.541 0.05 1 344 51 SER HB2 H 3.931 0.05 2 345 51 SER C C 172.57 0.2 1 346 51 SER CA C 58.29 0.2 1 347 51 SER CB C 63.59 0.2 1 348 51 SER N N 116.63 0.1 1 349 52 THR H H 8.214 0.05 1 350 52 THR HA H 4.332 0.05 1 351 52 THR HB H 4.173 0.05 1 352 52 THR C C 171.79 0.2 1 353 52 THR CA C 61.69 0.2 1 354 52 THR CB C 69.39 0.2 1 355 52 THR N N 116.76 0.1 1 356 53 ASP H H 8.388 0.05 1 357 53 ASP HA H 4.751 0.05 1 358 53 ASP HB2 H 2.78 0.05 2 359 53 ASP C C 172.4 0.2 1 360 53 ASP CA C 52.8 0.2 1 361 53 ASP CB C 38.12 0.2 1 362 53 ASP N N 122.12 0.1 1 363 54 TYR H H 8.139 0.05 1 364 54 TYR HA H 4.503 0.05 1 365 54 TYR HB2 H 3.112 0.05 2 366 54 TYR HB3 H 2.972 0.05 2 367 54 TYR C C 174.04 0.2 1 368 54 TYR CA C 58.31 0.2 1 369 54 TYR CB C 37.9 0.2 1 370 54 TYR N N 121.98 0.1 1 371 55 GLY H H 8.279 0.05 1 372 55 GLY HA2 H 3.926 0.05 2 373 55 GLY HA3 H 3.926 0.05 2 374 55 GLY C C 171.89 0.2 1 375 55 GLY CA C 45.16 0.2 1 376 55 GLY N N 110.88 0.1 1 377 56 ILE H H 7.847 0.05 1 378 56 ILE HA H 4.178 0.05 1 379 56 ILE HB H 1.908 0.05 1 380 56 ILE C C 173.99 0.2 1 381 56 ILE CA C 61.21 0.2 1 382 56 ILE CB C 38.1 0.2 1 383 56 ILE N N 120.85 0.1 1 384 57 LEU H H 8.221 0.05 1 385 57 LEU HA H 4.366 0.05 1 386 57 LEU HB2 H 1.563 0.05 2 387 57 LEU C C 174.95 0.2 1 388 57 LEU CA C 55.13 0.2 1 389 57 LEU CB C 41.81 0.2 1 390 57 LEU N N 126.06 0.1 1 391 58 GLN H H 8.274 0.05 1 392 58 GLN HA H 4.339 0.05 1 393 58 GLN HB2 H 2.081 0.05 2 394 58 GLN HB3 H 1.972 0.05 2 395 58 GLN C C 173.84 0.2 1 396 58 GLN CA C 55.46 0.2 1 397 58 GLN CB C 28.63 0.2 1 398 58 GLN N N 122.46 0.1 1 399 59 ILE H H 8.099 0.05 1 400 59 ILE HA H 4.057 0.05 1 401 59 ILE HB H 1.858 0.05 1 402 59 ILE C C 173.74 0.2 1 403 59 ILE CA C 61.54 0.2 1 404 59 ILE CB C 38 0.2 1 405 59 ILE N N 122.63 0.1 1 406 60 ASN H H 8.359 0.05 1 407 60 ASN HA H 4.751 0.05 1 408 60 ASN HB2 H 2.84 0.05 2 409 60 ASN C C 173.06 0.2 1 410 60 ASN CA C 53.09 0.2 1 411 60 ASN CB C 38.21 0.2 1 412 60 ASN N N 122.71 0.1 1 413 61 SER H H 8.201 0.05 1 414 61 SER HA H 4.29 0.05 1 415 61 SER HB2 H 3.903 0.05 2 416 61 SER HB3 H 3.833 0.05 2 417 61 SER C C 172.62 0.2 1 418 61 SER CA C 58.74 0.2 1 419 61 SER CB C 63.34 0.2 1 420 61 SER N N 117.45 0.1 1 421 62 ARG H H 8.234 0.05 1 422 62 ARG HA H 4.066 0.05 1 423 62 ARG HB2 H 1.517 0.05 2 424 62 ARG C C 174.14 0.2 1 425 62 ARG CA C 56.24 0.2 1 426 62 ARG CB C 29.29 0.2 1 427 62 ARG N N 123.34 0.1 1 428 63 TRP H H 7.82 0.05 1 429 63 TRP HA H 4.566 0.05 1 430 63 TRP HB2 H 3.24 0.05 2 431 63 TRP C C 173.95 0.2 1 432 63 TRP CA C 57.51 0.2 1 433 63 TRP CB C 28.82 0.2 1 434 63 TRP N N 121.8 0.1 1 435 64 TRP H H 7.396 0.05 1 436 64 TRP HA H 4.471 0.05 1 437 64 TRP HB2 H 3.139 0.05 2 438 64 TRP HB3 H 2.98 0.05 2 439 64 TRP C C 173.62 0.2 1 440 64 TRP CA C 57.06 0.2 1 441 64 TRP CB C 28.75 0.2 1 442 64 TRP N N 121.87 0.1 1 443 65 ALA H H 7.724 0.05 1 444 65 ALA HA H 4.178 0.05 1 445 65 ALA HB H 1.251 0.05 1 446 65 ALA C C 175.09 0.2 1 447 65 ALA CA C 52.37 0.2 1 448 65 ALA CB C 18.45 0.2 1 449 65 ALA N N 125.22 0.1 1 450 66 ASN H H 8.113 0.05 1 451 66 ASN HA H 4.658 0.05 1 452 66 ASN HB2 H 2.887 0.05 2 453 66 ASN HB3 H 2.71 0.05 2 454 66 ASN C C 172.91 0.2 1 455 66 ASN CA C 52.96 0.2 1 456 66 ASN CB C 38.2 0.2 1 457 66 ASN N N 118.12 0.1 1 458 67 ASP H H 8.331 0.05 1 459 67 ASP HA H 4.662 0.05 1 460 67 ASP HB2 H 2.953 0.05 2 461 67 ASP HB3 H 2.844 0.05 2 462 67 ASP C C 173.15 0.2 1 463 67 ASP CA C 52.88 0.2 1 464 67 ASP CB C 37.35 0.2 1 465 67 ASP N N 119.53 0.1 1 466 68 GLY H H 8.316 0.05 1 467 68 GLY HA2 H 3.889 0.05 2 468 68 GLY HA3 H 3.889 0.05 2 469 68 GLY C C 171.73 0.2 1 470 68 GLY CA C 45.23 0.2 1 471 68 GLY N N 109.46 0.1 1 472 69 ARG H H 7.964 0.05 1 473 69 ARG HA H 4.452 0.05 1 474 69 ARG HB2 H 1.838 0.05 2 475 69 ARG C C 173.93 0.2 1 476 69 ARG CA C 55.55 0.2 1 477 69 ARG CB C 30.43 0.2 1 478 69 ARG N N 120.99 0.1 1 479 70 THR H H 8.251 0.05 1 480 70 THR C C 170.7 0.2 1 481 70 THR CA C 59.62 0.2 1 482 70 THR CB C 69.31 0.2 1 483 70 THR N N 118.25 0.1 1 484 72 GLY H H 8.483 0.05 1 485 72 GLY HA2 H 4.005 0.05 2 486 72 GLY HA3 H 4.005 0.05 2 487 72 GLY C C 171.95 0.2 1 488 72 GLY CA C 44.92 0.2 1 489 72 GLY N N 110.54 0.1 1 490 73 SER H H 8.126 0.05 1 491 73 SER HA H 4.471 0.05 1 492 73 SER HB2 H 3.926 0.05 2 493 73 SER C C 172.37 0.2 1 494 73 SER CA C 58.33 0.2 1 495 73 SER CB C 63.62 0.2 1 496 73 SER N N 116.63 0.1 1 497 74 ARG H H 8.421 0.05 1 498 74 ARG HA H 4.364 0.05 1 499 74 ARG HB2 H 1.89 0.05 2 500 74 ARG HB3 H 1.773 0.05 2 501 74 ARG C C 173.52 0.2 1 502 74 ARG CA C 55.88 0.2 1 503 74 ARG CB C 30.21 0.2 1 504 74 ARG N N 123.75 0.1 1 505 75 ASN H H 8.44 0.05 1 506 75 ASN HA H 4.723 0.05 1 507 75 ASN HB2 H 2.892 0.05 2 508 75 ASN HB3 H 2.752 0.05 2 509 75 ASN C C 172.82 0.2 1 510 75 ASN CA C 52.88 0.2 1 511 75 ASN CB C 38.18 0.2 1 512 75 ASN N N 120.85 0.1 1 513 76 LEU H H 8.269 0.05 1 514 76 LEU HA H 4.346 0.05 1 515 76 LEU HB2 H 1.647 0.05 2 516 76 LEU C C 174.71 0.2 1 517 76 LEU CA C 55 0.2 1 518 76 LEU CB C 41.78 0.2 1 519 76 LEU N N 124.28 0.1 1 520 77 ALA H H 8.19 0.05 1 521 77 ALA HA H 4.313 0.05 1 522 77 ALA HB H 1.409 0.05 1 523 77 ALA C C 174.96 0.2 1 524 77 ALA CA C 52.19 0.2 1 525 77 ALA CB C 18.66 0.2 1 526 77 ALA N N 124.58 0.1 1 527 78 ASN H H 8.282 0.05 1 528 78 ASN HA H 4.709 0.05 1 529 78 ASN HB2 H 2.84 0.05 2 530 78 ASN HB3 H 2.733 0.05 2 531 78 ASN C C 172.24 0.2 1 532 78 ASN CA C 52.53 0.2 1 533 78 ASN CB C 38.34 0.2 1 534 78 ASN N N 118.42 0.1 1 535 79 ILE H H 8.023 0.05 1 536 79 ILE C C 172.02 0.2 1 537 79 ILE CA C 58.46 0.2 1 538 79 ILE CB C 38.22 0.2 1 539 79 ILE N N 123.96 0.1 1 540 81 ALA H H 8.494 0.05 1 541 81 ALA HA H 4.262 0.05 1 542 81 ALA HB H 1.456 0.05 1 543 81 ALA C C 176.16 0.2 1 544 81 ALA CA C 52.96 0.2 1 545 81 ALA CB C 18.33 0.2 1 546 81 ALA N N 125.66 0.1 1 547 82 SER H H 8.259 0.05 1 548 82 SER HA H 4.366 0.05 1 549 82 SER HB2 H 3.939 0.05 2 550 82 SER C C 172.49 0.2 1 551 82 SER CA C 58.47 0.2 1 552 82 SER CB C 63.2 0.2 1 553 82 SER N N 114.97 0.1 1 554 83 ALA H H 8.232 0.05 1 555 83 ALA HA H 4.374 0.05 1 556 83 ALA HB H 1.433 0.05 1 557 83 ALA C C 175.55 0.2 1 558 83 ALA CA C 52.41 0.2 1 559 83 ALA CB C 18.58 0.2 1 560 83 ALA N N 126.97 0.1 1 561 84 LEU H H 7.979 0.05 1 562 84 LEU HA H 4.339 0.05 1 563 84 LEU HB2 H 1.645 0.05 2 564 84 LEU C C 175.22 0.2 1 565 84 LEU CA C 55.17 0.2 1 566 84 LEU CB C 41.77 0.2 1 567 84 LEU N N 121.5 0.1 1 568 85 LEU H H 8.043 0.05 1 569 85 LEU HA H 4.42 0.05 1 570 85 LEU HB2 H 1.67 0.05 2 571 85 LEU C C 175.39 0.2 1 572 85 LEU CA C 55.09 0.2 1 573 85 LEU CB C 41.83 0.2 1 574 85 LEU N N 123.18 0.1 1 575 86 SER H H 8.232 0.05 1 576 86 SER HA H 4.448 0.05 1 577 86 SER HB2 H 3.945 0.05 2 578 86 SER C C 172.5 0.2 1 579 86 SER CA C 58.49 0.2 1 580 86 SER CB C 63.36 0.2 1 581 86 SER N N 117.14 0.1 1 582 87 SER H H 8.271 0.05 1 583 87 SER HA H 4.489 0.05 1 584 87 SER HB2 H 3.953 0.05 2 585 87 SER C C 172.1 0.2 1 586 87 SER CA C 58.47 0.2 1 587 87 SER CB C 63.39 0.2 1 588 87 SER N N 118.36 0.1 1 589 88 ASP H H 8.403 0.05 1 590 88 ASP HA H 4.798 0.05 1 591 88 ASP HB2 H 2.971 0.05 2 592 88 ASP C C 172.92 0.2 1 593 88 ASP CA C 52.8 0.2 1 594 88 ASP CB C 37.37 0.2 1 595 88 ASP N N 121.99 0.1 1 596 89 ILE H H 8.082 0.05 1 597 89 ILE HA H 4.234 0.05 1 598 89 ILE HB H 1.969 0.05 1 599 89 ILE C C 174.3 0.2 1 600 89 ILE CA C 61.56 0.2 1 601 89 ILE CB C 37.96 0.2 1 602 89 ILE N N 122.49 0.1 1 603 90 THR H H 8.168 0.05 1 604 90 THR HA H 4.297 0.05 1 605 90 THR HB H 4.27 0.05 1 606 90 THR C C 172.06 0.2 1 607 90 THR CA C 61.86 0.2 1 608 90 THR CB C 69.34 0.2 1 609 90 THR N N 119.2 0.1 1 610 91 ALA H H 8.262 0.05 1 611 91 ALA HA H 4.374 0.05 1 612 91 ALA HB H 1.456 0.05 1 613 91 ALA C C 175.7 0.2 1 614 91 ALA CA C 52.5 0.2 1 615 91 ALA CB C 18.64 0.2 1 616 91 ALA N N 127.34 0.1 1 617 92 SER H H 8.28 0.05 1 618 92 SER HA H 4.475 0.05 1 619 92 SER HB2 H 3.93 0.05 2 620 92 SER C C 172.78 0.2 1 621 92 SER CA C 58.45 0.2 1 622 92 SER CB C 63.36 0.2 1 623 92 SER N N 116.55 0.1 1 624 93 VAL H H 8.178 0.05 1 625 93 VAL HA H 4.116 0.05 1 626 93 VAL HB H 2.136 0.05 1 627 93 VAL C C 173.98 0.2 1 628 93 VAL CA C 62.73 0.2 1 629 93 VAL CB C 32.04 0.2 1 630 93 VAL N N 123.21 0.1 1 631 94 ASN H H 8.426 0.05 1 632 94 ASN HA H 4.714 0.05 1 633 94 ASN HB2 H 2.887 0.05 2 634 94 ASN HB3 H 2.78 0.05 2 635 94 ASN C C 173.02 0.2 1 636 94 ASN CA C 53.23 0.2 1 637 94 ASN CB C 38.28 0.2 1 638 94 ASN N N 122.59 0.1 1 639 95 ALA H H 8.207 0.05 1 640 95 ALA HA H 4.285 0.05 1 641 95 ALA HB H 1.45 0.05 1 642 95 ALA C C 175.4 0.2 1 643 95 ALA CA C 52.54 0.2 1 644 95 ALA CB C 18.54 0.2 1 645 95 ALA N N 125.74 0.1 1 646 96 ALA H H 8.149 0.05 1 647 96 ALA HA H 4.299 0.05 1 648 96 ALA HB H 1.442 0.05 1 649 96 ALA C C 175.61 0.2 1 650 96 ALA CA C 52.4 0.2 1 651 96 ALA CB C 18.49 0.2 1 652 96 ALA N N 123.6 0.1 1 653 97 LYS H H 8.105 0.05 1 654 97 LYS HA H 4.29 0.05 1 655 97 LYS HB2 H 1.843 0.05 2 656 97 LYS C C 174.18 0.2 1 657 97 LYS CA C 56.04 0.2 1 658 97 LYS CB C 32.52 0.2 1 659 97 LYS N N 121.23 0.1 1 660 98 LYS H H 8.214 0.05 1 661 98 LYS HA H 4.341 0.05 1 662 98 LYS HB2 H 1.806 0.05 2 663 98 LYS C C 173.96 0.2 1 664 98 LYS CA C 55.98 0.2 1 665 98 LYS CB C 32.49 0.2 1 666 98 LYS N N 123.85 0.1 1 667 99 ILE H H 8.226 0.05 1 668 99 ILE HA H 4.204 0.05 1 669 99 ILE HB H 1.891 0.05 1 670 99 ILE C C 173.96 0.2 1 671 99 ILE CA C 60.74 0.2 1 672 99 ILE CB C 38.09 0.2 1 673 99 ILE N N 124.42 0.1 1 674 100 VAL H H 8.323 0.05 1 675 100 VAL HA H 4.201 0.05 1 676 100 VAL HB H 2.096 0.05 1 677 100 VAL C C 173.7 0.2 1 678 100 VAL CA C 61.89 0.2 1 679 100 VAL CB C 32.33 0.2 1 680 100 VAL N N 126.35 0.1 1 681 101 SER H H 8.457 0.05 1 682 101 SER HA H 4.534 0.05 1 683 101 SER HB2 H 3.898 0.05 2 684 101 SER C C 171.99 0.2 1 685 101 SER CA C 57.82 0.2 1 686 101 SER CB C 63.54 0.2 1 687 101 SER N N 120.92 0.1 1 688 102 ASP H H 8.583 0.05 1 689 102 ASP HA H 4.83 0.05 1 690 102 ASP HB2 H 2.962 0.05 2 691 102 ASP C C 173.27 0.2 1 692 102 ASP CA C 52.48 0.2 1 693 102 ASP CB C 37.5 0.2 1 694 102 ASP N N 122.59 0.1 1 695 103 GLY H H 8.412 0.05 1 696 103 GLY HA2 H 4.01 0.05 2 697 103 GLY HA3 H 4.01 0.05 2 698 103 GLY C C 171.71 0.2 1 699 103 GLY CA C 45.23 0.2 1 700 103 GLY N N 110.46 0.1 1 701 104 ASN H H 8.359 0.05 1 702 104 ASN HA H 4.766 0.05 1 703 104 ASN HB2 H 2.876 0.05 2 704 104 ASN C C 173.66 0.2 1 705 104 ASN CA C 52.98 0.2 1 706 104 ASN CB C 38.42 0.2 1 707 104 ASN N N 119.71 0.1 1 708 105 GLY H H 8.479 0.05 1 709 105 GLY HA2 H 3.996 0.05 2 710 105 GLY HA3 H 3.996 0.05 2 711 105 GLY C C 172.26 0.2 1 712 105 GLY CA C 45.16 0.2 1 713 105 GLY N N 110.41 0.1 1 714 106 MET H H 8.216 0.05 1 715 106 MET HA H 4.467 0.05 1 716 106 MET HB2 H 2.071 0.05 2 717 106 MET C C 174.03 0.2 1 718 106 MET CA C 55.53 0.2 1 719 106 MET CB C 31.99 0.2 1 720 106 MET N N 120.99 0.1 1 721 107 ASN H H 8.408 0.05 1 722 107 ASN HA H 4.644 0.05 1 723 107 ASN HB2 H 2.766 0.05 2 724 107 ASN C C 173.15 0.2 1 725 107 ASN CA C 53.53 0.2 1 726 107 ASN CB C 38.09 0.2 1 727 107 ASN N N 120.43 0.1 1 728 108 ALA H H 8.213 0.05 1 729 108 ALA HA H 4.248 0.05 1 730 108 ALA HB H 1.377 0.05 1 731 108 ALA C C 175.61 0.2 1 732 108 ALA CA C 53.26 0.2 1 733 108 ALA CB C 18.31 0.2 1 734 108 ALA N N 124.94 0.1 1 735 109 TRP H H 8.049 0.05 1 736 109 TRP HA H 4.583 0.05 1 737 109 TRP HB2 H 3.325 0.05 2 738 109 TRP C C 174.43 0.2 1 739 109 TRP CA C 58.15 0.2 1 740 109 TRP CB C 28.69 0.2 1 741 109 TRP N N 120.93 0.1 1 742 110 VAL H H 7.768 0.05 1 743 110 VAL HA H 3.782 0.05 1 744 110 VAL HB H 1.927 0.05 1 745 110 VAL C C 174.01 0.2 1 746 110 VAL CA C 63.21 0.2 1 747 110 VAL CB C 32.13 0.2 1 748 110 VAL N N 122.35 0.1 1 749 111 ALA H H 8.033 0.05 1 750 111 ALA HA H 4.13 0.05 1 751 111 ALA HB H 1.413 0.05 1 752 111 ALA C C 176.25 0.2 1 753 111 ALA CA C 53.24 0.2 1 754 111 ALA CB C 18.13 0.2 1 755 111 ALA N N 125.82 0.1 1 756 112 TRP H H 7.905 0.05 1 757 112 TRP HA H 4.481 0.05 1 758 112 TRP HB2 H 3.339 0.05 2 759 112 TRP C C 174.82 0.2 1 760 112 TRP CA C 58.17 0.2 1 761 112 TRP CB C 28.54 0.2 1 762 112 TRP N N 120.32 0.1 1 763 113 ARG H H 7.972 0.05 1 764 113 ARG HA H 3.959 0.05 1 765 113 ARG HB2 H 1.684 0.05 2 766 113 ARG HB3 H 1.545 0.05 2 767 113 ARG C C 174.13 0.2 1 768 113 ARG CA C 56.84 0.2 1 769 113 ARG CB C 29.72 0.2 1 770 113 ARG N N 122.18 0.1 1 771 114 ASN H H 8.095 0.05 1 772 114 ASN HA H 4.625 0.05 1 773 114 ASN HB2 H 2.887 0.05 2 774 114 ASN HB3 H 2.71 0.05 2 775 114 ASN C C 173.06 0.2 1 776 114 ASN CA C 53.27 0.2 1 777 114 ASN CB C 38.15 0.2 1 778 114 ASN N N 119.17 0.1 1 779 115 ARG H H 7.909 0.05 1 780 115 ARG HA H 4.238 0.05 1 781 115 ARG HB2 H 1.931 0.05 2 782 115 ARG C C 173.78 0.2 1 783 115 ARG CA C 56.24 0.2 1 784 115 ARG CB C 29.97 0.2 1 785 115 ARG N N 122.14 0.1 1 786 116 ALA H H 8.183 0.05 1 787 116 ALA HA H 4.276 0.05 1 788 116 ALA HB H 1.368 0.05 1 789 116 ALA C C 175.47 0.2 1 790 116 ALA CA C 52.36 0.2 1 791 116 ALA CB C 18.52 0.2 1 792 116 ALA N N 125.59 0.1 1 793 117 LYS H H 8.224 0.05 1 794 117 LYS HA H 4.285 0.05 1 795 117 LYS HB2 H 1.858 0.05 2 796 117 LYS C C 174.87 0.2 1 797 117 LYS CA C 56.35 0.2 1 798 117 LYS CB C 32.45 0.2 1 799 117 LYS N N 121.58 0.1 1 800 118 GLY H H 8.376 0.05 1 801 118 GLY HA2 H 4.047 0.05 2 802 118 GLY HA3 H 4.047 0.05 2 803 118 GLY C C 171.93 0.2 1 804 118 GLY CA C 44.95 0.2 1 805 118 GLY N N 110.91 0.1 1 806 119 THR H H 8.067 0.05 1 807 119 THR HA H 4.389 0.05 1 808 119 THR HB H 4.266 0.05 1 809 119 THR C C 172.03 0.2 1 810 119 THR CA C 61.61 0.2 1 811 119 THR CB C 69.55 0.2 1 812 119 THR N N 114.32 0.1 1 813 120 ASP H H 8.573 0.05 1 814 120 ASP HA H 4.798 0.05 1 815 120 ASP HB2 H 2.887 0.05 2 816 120 ASP C C 172.73 0.2 1 817 120 ASP CA C 52.48 0.2 1 818 120 ASP CB C 37.51 0.2 1 819 120 ASP N N 122.63 0.1 1 820 121 VAL H H 8.104 0.05 1 821 121 VAL HA H 4.015 0.05 1 822 121 VAL HB H 2.067 0.05 1 823 121 VAL C C 173.92 0.2 1 824 121 VAL CA C 62.57 0.2 1 825 121 VAL CB C 31.98 0.2 1 826 121 VAL N N 122.04 0.1 1 827 122 GLN H H 8.367 0.05 1 828 122 GLN C C 173.49 0.2 1 829 122 GLN CA C 55.76 0.2 1 830 122 GLN CB C 28.47 0.2 1 831 122 GLN N N 124.49 0.1 1 832 124 TRP H H 7.995 0.05 1 833 124 TRP HA H 4.677 0.05 1 834 124 TRP HB2 H 3.274 0.05 2 835 124 TRP C C 173.88 0.2 1 836 124 TRP CA C 57 0.2 1 837 124 TRP CB C 28.87 0.2 1 838 124 TRP N N 120.96 0.1 1 839 125 ILE H H 7.879 0.05 1 840 125 ILE HA H 4.042 0.05 1 841 125 ILE HB H 1.772 0.05 1 842 125 ILE C C 173.52 0.2 1 843 125 ILE CA C 60.91 0.2 1 844 125 ILE CB C 38.22 0.2 1 845 125 ILE N N 124.16 0.1 1 846 126 ARG H H 8.191 0.05 1 847 126 ARG HA H 4.144 0.05 1 848 126 ARG HB2 H 1.836 0.05 2 849 126 ARG HB3 H 1.754 0.05 2 850 126 ARG C C 174.43 0.2 1 851 126 ARG CA C 56.29 0.2 1 852 126 ARG CB C 29.86 0.2 1 853 126 ARG N N 125.59 0.1 1 854 127 GLY H H 8.327 0.05 1 855 127 GLY HA2 H 3.968 0.05 2 856 127 GLY HA3 H 3.968 0.05 2 857 127 GLY C C 171.32 0.2 1 858 127 GLY CA C 44.79 0.2 1 859 127 GLY N N 111.2 0.1 1 860 128 ALA H H 8.068 0.05 1 861 128 ALA HA H 4.327 0.05 1 862 128 ALA HB H 1.382 0.05 1 863 128 ALA C C 175.04 0.2 1 864 128 ALA CA C 52.06 0.2 1 865 128 ALA CB C 18.93 0.2 1 866 128 ALA N N 124.83 0.1 1 867 129 ARG H H 8.296 0.05 1 868 129 ARG HA H 4.327 0.05 1 869 129 ARG HB2 H 1.866 0.05 2 870 129 ARG HB3 H 1.74 0.05 2 871 129 ARG C C 173.77 0.2 1 872 129 ARG CA C 55.52 0.2 1 873 129 ARG CB C 30.15 0.2 1 874 129 ARG N N 121.51 0.1 1 875 130 LEU H H 8.387 0.05 1 876 130 LEU C C 176.77 0.2 1 877 130 LEU CA C 53.78 0.2 1 878 130 LEU CB C 41.49 0.2 1 879 130 LEU N N 125.83 0.1 1 stop_ save_