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 ; _BMRB_accession_number 15198 _BMRB_flat_file_name bmr15198.str _Entry_type original _Submission_date 2007-03-28 _Accession_date 2007-03-28 _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 Schloerb Christian . . 2 Ackermann Katrin . . 3 Richter Christian . . 4 Schwalbe Harald . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 391 "13C chemical shifts" 363 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-04-19 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6622 'Backbone assignment for HEWL-SMe' stop_ _Original_release_date 2007-04-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _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 _CAS_abstract_code . _MEDLINE_UI_code . _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 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 95 _Page_last 104 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'all-Ala-hen egg white lysozyme' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'all-Ala-hen egg white lysozyme' $all-Ala-Hen_egg_white_lysoyzme stop_ _System_molecular_weight . _System_physical_state unfolded _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . 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 _Molecular_mass . _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 . _Sequence_homology_query_revised_last_date 2015-02-06 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 11051 0SS-variant 100.00 130 99.23 100.00 6.96e-86 BMRB 11052 2SS(6-127_64-80) 100.00 130 96.92 96.92 3.62e-85 BMRB 11459 1SS[6-127] 100.00 130 98.46 98.46 1.40e-85 BMRB 11460 1SS[30-115] 100.00 130 97.69 98.46 2.88e-85 BMRB 11461 1SS[64-80] 100.00 130 97.69 98.46 2.88e-85 BMRB 11462 1SS[76-94] 100.00 130 97.69 98.46 2.88e-85 BMRB 18365 WT-ALA 99.23 129 100.00 100.00 2.50e-85 BMRB 18366 W28G 99.23 129 99.22 99.22 5.86e-84 BMRB 18367 W62G 99.23 129 99.22 99.22 5.86e-84 BMRB 18368 W108G 99.23 129 99.22 99.22 5.86e-84 BMRB 18369 W111G 99.23 129 99.22 99.22 5.86e-84 BMRB 18370 W123G 99.23 129 99.22 99.22 5.86e-84 stop_ 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 _Details . 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_ _Details . 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_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . 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 _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 2.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HCACO' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 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' _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 2 2 LYS H H 8.706 0.05 1 2 2 2 LYS HA H 4.411 0.05 1 3 2 2 LYS HB2 H 1.731 0.05 2 4 2 2 LYS C C 173.13 0.2 1 5 2 2 LYS CA C 56.02 0.2 1 6 2 2 LYS CB C 32.62 0.2 1 7 2 2 LYS N N 126.11 0.1 1 8 3 3 VAL H H 8.253 0.05 1 9 3 3 VAL HA H 4.138 0.05 1 10 3 3 VAL HB H 2.011 0.05 1 11 3 3 VAL C C 173.21 0.2 1 12 3 3 VAL CA C 61.63 0.2 1 13 3 3 VAL CB C 32.58 0.2 1 14 3 3 VAL N N 123.71 0.1 1 15 4 4 PHE H H 8.508 0.05 1 16 4 4 PHE HA H 4.704 0.05 1 17 4 4 PHE HB2 H 3.167 0.05 2 18 4 4 PHE HB3 H 3.036 0.05 2 19 4 4 PHE C C 173.74 0.2 1 20 4 4 PHE CA C 57.3 0.2 1 21 4 4 PHE CB C 39.6 0.2 1 22 4 4 PHE N N 126.24 0.1 1 23 5 5 GLY H H 8.357 0.05 1 24 5 5 GLY HA2 H 3.994 0.05 2 25 5 5 GLY HA3 H 3.994 0.05 2 26 5 5 GLY C C 171.7 0.2 1 27 5 5 GLY CA C 44.82 0.2 1 28 5 5 GLY N N 111.82 0.1 1 29 6 6 ARG H H 8.308 0.05 1 30 6 6 ARG HA H 4.252 0.05 1 31 6 6 ARG HB2 H 1.876 0.05 2 32 6 6 ARG C C 174.6 0.2 1 33 6 6 ARG CA C 56.82 0.2 1 34 6 6 ARG CB C 30.1 0.2 1 35 6 6 ARG N N 122.25 0.1 1 36 7 7 ALA H H 8.492 0.05 1 37 7 7 ALA HA H 4.29 0.05 1 38 7 7 ALA HB H 1.442 0.05 1 39 7 7 ALA C C 176.24 0.2 1 40 7 7 ALA CA C 53.01 0.2 1 41 7 7 ALA CB C 18.31 0.2 1 42 7 7 ALA N N 125.48 0.1 1 43 8 8 GLU H H 8.217 0.05 1 44 8 8 GLU HA H 4.299 0.05 1 45 8 8 GLU HB2 H 2.071 0.05 2 46 8 8 GLU C C 174.48 0.2 1 47 8 8 GLU CA C 56.42 0.2 1 48 8 8 GLU CB C 27.81 0.2 1 49 8 8 GLU N N 120.72 0.1 1 50 9 9 LEU H H 8.17 0.05 1 51 9 9 LEU C C 175.46 0.2 1 52 9 9 LEU CA C 55.65 0.2 1 53 9 9 LEU CB C 41.71 0.2 1 54 9 9 LEU N N 124.22 0.1 1 55 11 11 ALA H H 8.039 0.05 1 56 11 11 ALA HA H 4.239 0.05 1 57 11 11 ALA HB H 1.604 0.05 1 58 11 11 ALA C C 176.28 0.2 1 59 11 11 ALA CA C 53.26 0.2 1 60 11 11 ALA CB C 18.27 0.2 1 61 11 11 ALA N N 122.87 0.1 1 62 12 12 ALA H H 8.108 0.05 1 63 12 12 ALA HA H 4.252 0.05 1 64 12 12 ALA HB H 1.465 0.05 1 65 12 12 ALA C C 176.27 0.2 1 66 12 12 ALA CA C 53.18 0.2 1 67 12 12 ALA CB C 18.21 0.2 1 68 12 12 ALA N N 123.13 0.1 1 69 13 13 MET H H 8.091 0.05 1 70 13 13 MET HA H 4.216 0.05 1 71 13 13 MET HB2 H 1.454 0.05 2 72 13 13 MET C C 176.28 0.2 1 73 13 13 MET CA C 55.82 0.2 1 74 13 13 MET CB C 32.25 0.2 1 75 13 13 MET N N 119.51 0.1 1 76 14 14 LYS H H 8.06 0.05 1 77 14 14 LYS HA H 4.29 0.05 1 78 14 14 LYS HB2 H 1.862 0.05 2 79 14 14 LYS C C 174.53 0.2 1 80 14 14 LYS CA C 56.49 0.2 1 81 14 14 LYS CB C 32.3 0.2 1 82 14 14 LYS N N 122.81 0.1 1 83 15 15 ARG H H 8.145 0.05 1 84 15 15 ARG HA H 4.299 0.05 1 85 15 15 ARG HB2 H 1.824 0.05 2 86 15 15 ARG C C 173.94 0.2 1 87 15 15 ARG CA C 56.18 0.2 1 88 15 15 ARG CB C 30.17 0.2 1 89 15 15 ARG N N 122.21 0.1 1 90 16 16 HIS H H 8.464 0.05 1 91 16 16 HIS HA H 4.739 0.05 1 92 16 16 HIS HB2 H 3.349 0.05 2 93 16 16 HIS HB3 H 3.235 0.05 2 94 16 16 HIS C C 172.44 0.2 1 95 16 16 HIS CA C 55.17 0.2 1 96 16 16 HIS CB C 28.49 0.2 1 97 16 16 HIS N N 120.17 0.1 1 98 17 17 GLY H H 8.425 0.05 1 99 17 17 GLY HA2 H 4.007 0.05 2 100 17 17 GLY HA3 H 4.007 0.05 2 101 17 17 GLY C C 171.62 0.2 1 102 17 17 GLY CA C 44.92 0.2 1 103 17 17 GLY N N 111.09 0.1 1 104 18 18 LEU H H 8.201 0.05 1 105 18 18 LEU HA H 4.392 0.05 1 106 18 18 LEU HB2 H 1.624 0.05 2 107 18 18 LEU C C 174.93 0.2 1 108 18 18 LEU CA C 55.03 0.2 1 109 18 18 LEU CB C 41.99 0.2 1 110 18 18 LEU N N 122.7 0.1 1 111 19 19 ASP H H 8.531 0.05 1 112 19 19 ASP HA H 4.681 0.05 1 113 19 19 ASP HB2 H 2.896 0.05 2 114 19 19 ASP HB3 H 2.826 0.05 2 115 19 19 ASP C C 172.35 0.2 1 116 19 19 ASP CA C 52.61 0.2 1 117 19 19 ASP CB C 37.43 0.2 1 118 19 19 ASP N N 120.36 0.1 1 119 20 20 ASN H H 8.297 0.05 1 120 20 20 ASN HA H 4.709 0.05 1 121 20 20 ASN HB2 H 2.738 0.05 2 122 20 20 ASN C C 172.37 0.2 1 123 20 20 ASN CA C 52.71 0.2 1 124 20 20 ASN CB C 38.1 0.2 1 125 20 20 ASN N N 120.16 0.1 1 126 21 21 TYR H H 8.072 0.05 1 127 21 21 TYR HA H 4.546 0.05 1 128 21 21 TYR HB2 H 3.027 0.05 2 129 21 21 TYR C C 173.42 0.2 1 130 21 21 TYR CA C 57.9 0.2 1 131 21 21 TYR CB C 38.1 0.2 1 132 21 21 TYR N N 121.73 0.1 1 133 22 22 ARG H H 8.246 0.05 1 134 22 22 ARG HA H 4.23 0.05 1 135 22 22 ARG HB2 H 1.799 0.05 2 136 22 22 ARG HB3 H 1.65 0.05 2 137 22 22 ARG C C 173.94 0.2 1 138 22 22 ARG CA C 55.88 0.2 1 139 22 22 ARG CB C 29.91 0.2 1 140 22 22 ARG N N 124.54 0.1 1 141 23 23 GLY H H 7.773 0.05 1 142 23 23 GLY HA2 H 3.889 0.05 2 143 23 23 GLY HA3 H 3.889 0.05 2 144 23 23 GLY C C 171.26 0.2 1 145 23 23 GLY CA C 44.83 0.2 1 146 23 23 GLY N N 109.88 0.1 1 147 24 24 TYR H H 7.943 0.05 1 148 24 24 TYR HA H 4.611 0.05 1 149 24 24 TYR HB2 H 3.041 0.05 2 150 24 24 TYR HB3 H 2.938 0.05 2 151 24 24 TYR C C 173.48 0.2 1 152 24 24 TYR CA C 57.56 0.2 1 153 24 24 TYR CB C 38.58 0.2 1 154 24 24 TYR N N 121.02 0.1 1 155 25 25 SER H H 8.27 0.05 1 156 25 25 SER HA H 4.471 0.05 1 157 25 25 SER HB2 H 3.861 0.05 2 158 25 25 SER C C 171.96 0.2 1 159 25 25 SER CA C 57.71 0.2 1 160 25 25 SER CB C 63.7 0.2 1 161 25 25 SER N N 118.77 0.1 1 162 26 26 LEU H H 8.225 0.05 1 163 26 26 LEU HA H 4.348 0.05 1 164 26 26 LEU HB2 H 1.645 0.05 2 165 26 26 LEU C C 175.42 0.2 1 166 26 26 LEU CA C 55.31 0.2 1 167 26 26 LEU CB C 41.8 0.2 1 168 26 26 LEU N N 125.17 0.1 1 169 27 27 GLY H H 8.233 0.05 1 170 27 27 GLY HA2 H 3.866 0.05 2 171 27 27 GLY HA3 H 3.866 0.05 2 172 27 27 GLY C C 171.58 0.2 1 173 27 27 GLY CA C 45 0.2 1 174 27 27 GLY N N 109.59 0.1 1 175 28 28 ASN H H 8.192 0.05 1 176 28 28 ASN HA H 4.73 0.05 1 177 28 28 ASN HB2 H 2.749 0.05 2 178 28 28 ASN C C 172.66 0.2 1 179 28 28 ASN CA C 52.88 0.2 1 180 28 28 ASN CB C 38.2 0.2 1 181 28 28 ASN N N 119.93 0.1 1 182 29 29 TRP H H 8.088 0.05 1 183 29 29 TRP HA H 4.611 0.05 1 184 29 29 TRP HB2 H 3.297 0.05 2 185 29 29 TRP C C 173.9 0.2 1 186 29 29 TRP CA C 57.71 0.2 1 187 29 29 TRP CB C 28.87 0.2 1 188 29 29 TRP N N 122.98 0.1 1 189 30 30 VAL H H 7.746 0.05 1 190 30 30 VAL HA H 3.873 0.05 1 191 30 30 VAL HB H 1.941 0.05 1 192 30 30 VAL C C 173.36 0.2 1 193 30 30 VAL CA C 62.31 0.2 1 194 30 30 VAL CB C 32.38 0.2 1 195 30 30 VAL N N 123.47 0.1 1 196 31 31 ALA H H 8.038 0.05 1 197 31 31 ALA HA H 4.221 0.05 1 198 31 31 ALA HB H 1.409 0.05 1 199 31 31 ALA C C 175.49 0.2 1 200 31 31 ALA CA C 52.42 0.2 1 201 31 31 ALA CB C 18.46 0.2 1 202 31 31 ALA N N 127.55 0.1 1 203 32 32 ALA H H 8.098 0.05 1 204 32 32 ALA HA H 4.229 0.05 1 205 32 32 ALA HB H 1.409 0.05 1 206 32 32 ALA C C 175.73 0.2 1 207 32 32 ALA CA C 52.44 0.2 1 208 32 32 ALA CB C 18.49 0.2 1 209 32 32 ALA N N 123.75 0.1 1 210 33 33 ALA H H 8.116 0.05 1 211 33 33 ALA HA H 4.234 0.05 1 212 33 33 ALA HB H 1.368 0.05 1 213 33 33 ALA C C 175.73 0.2 1 214 33 33 ALA CA C 52.44 0.2 1 215 33 33 ALA CB C 18.49 0.2 1 216 33 33 ALA N N 123.79 0.1 1 217 34 34 LYS H H 8.071 0.05 1 218 34 34 LYS HA H 4.201 0.05 1 219 34 34 LYS HB2 H 1.712 0.05 2 220 34 34 LYS C C 174.15 0.2 1 221 34 34 LYS CA C 56.41 0.2 1 222 34 34 LYS CB C 32.34 0.2 1 223 34 34 LYS N N 120.7 0.1 1 224 35 35 PHE H H 8.105 0.05 1 225 35 35 PHE HA H 4.616 0.05 1 226 35 35 PHE HB2 H 3.162 0.05 2 227 35 35 PHE HB3 H 3.072 0.05 2 228 35 35 PHE C C 173.38 0.2 1 229 35 35 PHE CA C 57.68 0.2 1 230 35 35 PHE CB C 39.05 0.2 1 231 35 35 PHE N N 121.59 0.1 1 232 36 36 GLU H H 8.155 0.05 1 233 36 36 GLU HA H 4.36 0.05 1 234 36 36 GLU HB2 H 2.099 0.05 2 235 36 36 GLU HB3 H 1.964 0.05 2 236 36 36 GLU C C 173.4 0.2 1 237 36 36 GLU CA C 55.34 0.2 1 238 36 36 GLU CB C 28.33 0.2 1 239 36 36 GLU N N 122.68 0.1 1 240 37 37 SER H H 8.273 0.05 1 241 37 37 SER HA H 4.383 0.05 1 242 37 37 SER HB2 H 3.866 0.05 2 243 37 37 SER C C 171.88 0.2 1 244 37 37 SER CA C 58.39 0.2 1 245 37 37 SER CB C 63.47 0.2 1 246 37 37 SER N N 117.77 0.1 1 247 38 38 ASN H H 8.351 0.05 1 248 38 38 ASN HA H 4.704 0.05 1 249 38 38 ASN HB2 H 2.738 0.05 2 250 38 38 ASN C C 172.62 0.2 1 251 38 38 ASN CA C 53.12 0.2 1 252 38 38 ASN CB C 38.34 0.2 1 253 38 38 ASN N N 121.28 0.1 1 254 39 39 PHE H H 8.154 0.05 1 255 39 39 PHE HA H 4.602 0.05 1 256 39 39 PHE HB2 H 3.167 0.05 2 257 39 39 PHE HB3 H 3.031 0.05 2 258 39 39 PHE C C 173.2 0.2 1 259 39 39 PHE CA C 57.8 0.2 1 260 39 39 PHE CB C 38.88 0.2 1 261 39 39 PHE N N 121.48 0.1 1 262 40 40 ASN H H 8.346 0.05 1 263 40 40 ASN HA H 4.756 0.05 1 264 40 40 ASN HB2 H 2.882 0.05 2 265 40 40 ASN HB3 H 2.747 0.05 2 266 40 40 ASN C C 173.18 0.2 1 267 40 40 ASN CA C 53.04 0.2 1 268 40 40 ASN CB C 38.29 0.2 1 269 40 40 ASN N N 121.25 0.1 1 270 41 41 THR H H 8.12 0.05 1 271 41 41 THR HA H 4.321 0.05 1 272 41 41 THR HB H 4.294 0.05 1 273 41 41 THR C C 172.43 0.2 1 274 41 41 THR CA C 61.92 0.2 1 275 41 41 THR CB C 69.3 0.2 1 276 41 41 THR N N 115.6 0.1 1 277 42 42 GLN H H 8.331 0.05 1 278 42 42 GLN HA H 4.35 0.05 1 279 42 42 GLN HB2 H 2.151 0.05 2 280 42 42 GLN HB3 H 2.029 0.05 2 281 42 42 GLN C C 173.58 0.2 1 282 42 42 GLN CA C 55.69 0.2 1 283 42 42 GLN CB C 28.76 0.2 1 284 42 42 GLN N N 123.18 0.1 1 285 43 43 ALA H H 8.282 0.05 1 286 43 43 ALA HA H 4.374 0.05 1 287 43 43 ALA HB H 1.442 0.05 1 288 43 43 ALA C C 175.69 0.2 1 289 43 43 ALA CA C 52.43 0.2 1 290 43 43 ALA CB C 18.62 0.2 1 291 43 43 ALA N N 125.97 0.1 1 292 44 44 THR H H 8.103 0.05 1 293 44 44 THR HA H 4.325 0.05 1 294 44 44 THR HB H 4.171 0.05 1 295 44 44 THR C C 172.05 0.2 1 296 44 44 THR CA C 61.69 0.2 1 297 44 44 THR CB C 69.49 0.2 1 298 44 44 THR N N 113.86 0.1 1 299 45 45 ASN H H 8.381 0.05 1 300 45 45 ASN HA H 4.753 0.05 1 301 45 45 ASN HB2 H 2.863 0.05 2 302 45 45 ASN C C 172.84 0.2 1 303 45 45 ASN CA C 52.93 0.2 1 304 45 45 ASN CB C 38.26 0.2 1 305 45 45 ASN N N 122.09 0.1 1 306 46 46 ARG H H 8.334 0.05 1 307 46 46 ARG HA H 4.36 0.05 1 308 46 46 ARG HB2 H 1.908 0.05 2 309 46 46 ARG HB3 H 1.782 0.05 2 310 46 46 ARG C C 173.75 0.2 1 311 46 46 ARG CA C 55.94 0.2 1 312 46 46 ARG CB C 30.13 0.2 1 313 46 46 ARG N N 122.54 0.1 1 314 47 47 ASN H H 8.5 0.05 1 315 47 47 ASN HA H 4.802 0.05 1 316 47 47 ASN HB2 H 2.906 0.05 2 317 47 47 ASN HB3 H 2.84 0.05 2 318 47 47 ASN C C 173.36 0.2 1 319 47 47 ASN CA C 53.13 0.2 1 320 47 47 ASN CB C 38.29 0.2 1 321 47 47 ASN N N 120.7 0.1 1 322 48 48 THR H H 8.18 0.05 1 323 48 48 THR HA H 4.364 0.05 1 324 48 48 THR HB H 4.344 0.05 1 325 48 48 THR C C 172.37 0.2 1 326 48 48 THR CA C 61.69 0.2 1 327 48 48 THR CB C 69.26 0.2 1 328 48 48 THR N N 115.17 0.1 1 329 49 49 ASP H H 8.51 0.05 1 330 49 49 ASP HA H 4.757 0.05 1 331 49 49 ASP HB2 H 2.976 0.05 2 332 49 49 ASP C C 173.29 0.2 1 333 49 49 ASP CA C 52.88 0.2 1 334 49 49 ASP CB C 37.47 0.2 1 335 49 49 ASP N N 121.95 0.1 1 336 50 50 GLY H H 8.388 0.05 1 337 50 50 GLY HA2 H 4.029 0.05 2 338 50 50 GLY HA3 H 4.029 0.05 2 339 50 50 GLY C C 171.95 0.2 1 340 50 50 GLY CA C 45.11 0.2 1 341 50 50 GLY N N 110.62 0.1 1 342 51 51 SER H H 8.175 0.05 1 343 51 51 SER HA H 4.541 0.05 1 344 51 51 SER HB2 H 3.931 0.05 2 345 51 51 SER C C 172.57 0.2 1 346 51 51 SER CA C 58.29 0.2 1 347 51 51 SER CB C 63.59 0.2 1 348 51 51 SER N N 116.63 0.1 1 349 52 52 THR H H 8.214 0.05 1 350 52 52 THR HA H 4.332 0.05 1 351 52 52 THR HB H 4.173 0.05 1 352 52 52 THR C C 171.79 0.2 1 353 52 52 THR CA C 61.69 0.2 1 354 52 52 THR CB C 69.39 0.2 1 355 52 52 THR N N 116.76 0.1 1 356 53 53 ASP H H 8.388 0.05 1 357 53 53 ASP HA H 4.751 0.05 1 358 53 53 ASP HB2 H 2.78 0.05 2 359 53 53 ASP C C 172.4 0.2 1 360 53 53 ASP CA C 52.8 0.2 1 361 53 53 ASP CB C 38.12 0.2 1 362 53 53 ASP N N 122.12 0.1 1 363 54 54 TYR H H 8.139 0.05 1 364 54 54 TYR HA H 4.503 0.05 1 365 54 54 TYR HB2 H 3.112 0.05 2 366 54 54 TYR HB3 H 2.972 0.05 2 367 54 54 TYR C C 174.04 0.2 1 368 54 54 TYR CA C 58.31 0.2 1 369 54 54 TYR CB C 37.9 0.2 1 370 54 54 TYR N N 121.98 0.1 1 371 55 55 GLY H H 8.279 0.05 1 372 55 55 GLY HA2 H 3.926 0.05 2 373 55 55 GLY HA3 H 3.926 0.05 2 374 55 55 GLY C C 171.89 0.2 1 375 55 55 GLY CA C 45.16 0.2 1 376 55 55 GLY N N 110.88 0.1 1 377 56 56 ILE H H 7.847 0.05 1 378 56 56 ILE HA H 4.178 0.05 1 379 56 56 ILE HB H 1.908 0.05 1 380 56 56 ILE C C 173.99 0.2 1 381 56 56 ILE CA C 61.21 0.2 1 382 56 56 ILE CB C 38.1 0.2 1 383 56 56 ILE N N 120.85 0.1 1 384 57 57 LEU H H 8.221 0.05 1 385 57 57 LEU HA H 4.366 0.05 1 386 57 57 LEU HB2 H 1.563 0.05 2 387 57 57 LEU C C 174.95 0.2 1 388 57 57 LEU CA C 55.13 0.2 1 389 57 57 LEU CB C 41.81 0.2 1 390 57 57 LEU N N 126.06 0.1 1 391 58 58 GLN H H 8.274 0.05 1 392 58 58 GLN HA H 4.339 0.05 1 393 58 58 GLN HB2 H 2.081 0.05 2 394 58 58 GLN HB3 H 1.972 0.05 2 395 58 58 GLN C C 173.84 0.2 1 396 58 58 GLN CA C 55.46 0.2 1 397 58 58 GLN CB C 28.63 0.2 1 398 58 58 GLN N N 122.46 0.1 1 399 59 59 ILE H H 8.099 0.05 1 400 59 59 ILE HA H 4.057 0.05 1 401 59 59 ILE HB H 1.858 0.05 1 402 59 59 ILE C C 173.74 0.2 1 403 59 59 ILE CA C 61.54 0.2 1 404 59 59 ILE CB C 38 0.2 1 405 59 59 ILE N N 122.63 0.1 1 406 60 60 ASN H H 8.359 0.05 1 407 60 60 ASN HA H 4.751 0.05 1 408 60 60 ASN HB2 H 2.84 0.05 2 409 60 60 ASN C C 173.06 0.2 1 410 60 60 ASN CA C 53.09 0.2 1 411 60 60 ASN CB C 38.21 0.2 1 412 60 60 ASN N N 122.71 0.1 1 413 61 61 SER H H 8.201 0.05 1 414 61 61 SER HA H 4.29 0.05 1 415 61 61 SER HB2 H 3.903 0.05 2 416 61 61 SER HB3 H 3.833 0.05 2 417 61 61 SER C C 172.62 0.2 1 418 61 61 SER CA C 58.74 0.2 1 419 61 61 SER CB C 63.34 0.2 1 420 61 61 SER N N 117.45 0.1 1 421 62 62 ARG H H 8.234 0.05 1 422 62 62 ARG HA H 4.066 0.05 1 423 62 62 ARG HB2 H 1.517 0.05 2 424 62 62 ARG C C 174.14 0.2 1 425 62 62 ARG CA C 56.24 0.2 1 426 62 62 ARG CB C 29.29 0.2 1 427 62 62 ARG N N 123.34 0.1 1 428 63 63 TRP H H 7.82 0.05 1 429 63 63 TRP HA H 4.566 0.05 1 430 63 63 TRP HB2 H 3.24 0.05 2 431 63 63 TRP C C 173.95 0.2 1 432 63 63 TRP CA C 57.51 0.2 1 433 63 63 TRP CB C 28.82 0.2 1 434 63 63 TRP N N 121.8 0.1 1 435 64 64 TRP H H 7.396 0.05 1 436 64 64 TRP HA H 4.471 0.05 1 437 64 64 TRP HB2 H 3.139 0.05 2 438 64 64 TRP HB3 H 2.98 0.05 2 439 64 64 TRP C C 173.62 0.2 1 440 64 64 TRP CA C 57.06 0.2 1 441 64 64 TRP CB C 28.75 0.2 1 442 64 64 TRP N N 121.87 0.1 1 443 65 65 ALA H H 7.724 0.05 1 444 65 65 ALA HA H 4.178 0.05 1 445 65 65 ALA HB H 1.251 0.05 1 446 65 65 ALA C C 175.09 0.2 1 447 65 65 ALA CA C 52.37 0.2 1 448 65 65 ALA CB C 18.45 0.2 1 449 65 65 ALA N N 125.22 0.1 1 450 66 66 ASN H H 8.113 0.05 1 451 66 66 ASN HA H 4.658 0.05 1 452 66 66 ASN HB2 H 2.887 0.05 2 453 66 66 ASN HB3 H 2.71 0.05 2 454 66 66 ASN C C 172.91 0.2 1 455 66 66 ASN CA C 52.96 0.2 1 456 66 66 ASN CB C 38.2 0.2 1 457 66 66 ASN N N 118.12 0.1 1 458 67 67 ASP H H 8.331 0.05 1 459 67 67 ASP HA H 4.662 0.05 1 460 67 67 ASP HB2 H 2.953 0.05 2 461 67 67 ASP HB3 H 2.844 0.05 2 462 67 67 ASP C C 173.15 0.2 1 463 67 67 ASP CA C 52.88 0.2 1 464 67 67 ASP CB C 37.35 0.2 1 465 67 67 ASP N N 119.53 0.1 1 466 68 68 GLY H H 8.316 0.05 1 467 68 68 GLY HA2 H 3.889 0.05 2 468 68 68 GLY HA3 H 3.889 0.05 2 469 68 68 GLY C C 171.73 0.2 1 470 68 68 GLY CA C 45.23 0.2 1 471 68 68 GLY N N 109.46 0.1 1 472 69 69 ARG H H 7.964 0.05 1 473 69 69 ARG HA H 4.452 0.05 1 474 69 69 ARG HB2 H 1.838 0.05 2 475 69 69 ARG C C 173.93 0.2 1 476 69 69 ARG CA C 55.55 0.2 1 477 69 69 ARG CB C 30.43 0.2 1 478 69 69 ARG N N 120.99 0.1 1 479 70 70 THR H H 8.251 0.05 1 480 70 70 THR C C 170.7 0.2 1 481 70 70 THR CA C 59.62 0.2 1 482 70 70 THR CB C 69.31 0.2 1 483 70 70 THR N N 118.25 0.1 1 484 72 72 GLY H H 8.483 0.05 1 485 72 72 GLY HA2 H 4.005 0.05 2 486 72 72 GLY HA3 H 4.005 0.05 2 487 72 72 GLY C C 171.95 0.2 1 488 72 72 GLY CA C 44.92 0.2 1 489 72 72 GLY N N 110.54 0.1 1 490 73 73 SER H H 8.126 0.05 1 491 73 73 SER HA H 4.471 0.05 1 492 73 73 SER HB2 H 3.926 0.05 2 493 73 73 SER C C 172.37 0.2 1 494 73 73 SER CA C 58.33 0.2 1 495 73 73 SER CB C 63.62 0.2 1 496 73 73 SER N N 116.63 0.1 1 497 74 74 ARG H H 8.421 0.05 1 498 74 74 ARG HA H 4.364 0.05 1 499 74 74 ARG HB2 H 1.89 0.05 2 500 74 74 ARG HB3 H 1.773 0.05 2 501 74 74 ARG C C 173.52 0.2 1 502 74 74 ARG CA C 55.88 0.2 1 503 74 74 ARG CB C 30.21 0.2 1 504 74 74 ARG N N 123.75 0.1 1 505 75 75 ASN H H 8.44 0.05 1 506 75 75 ASN HA H 4.723 0.05 1 507 75 75 ASN HB2 H 2.892 0.05 2 508 75 75 ASN HB3 H 2.752 0.05 2 509 75 75 ASN C C 172.82 0.2 1 510 75 75 ASN CA C 52.88 0.2 1 511 75 75 ASN CB C 38.18 0.2 1 512 75 75 ASN N N 120.85 0.1 1 513 76 76 LEU H H 8.269 0.05 1 514 76 76 LEU HA H 4.346 0.05 1 515 76 76 LEU HB2 H 1.647 0.05 2 516 76 76 LEU C C 174.71 0.2 1 517 76 76 LEU CA C 55 0.2 1 518 76 76 LEU CB C 41.78 0.2 1 519 76 76 LEU N N 124.28 0.1 1 520 77 77 ALA H H 8.19 0.05 1 521 77 77 ALA HA H 4.313 0.05 1 522 77 77 ALA HB H 1.409 0.05 1 523 77 77 ALA C C 174.96 0.2 1 524 77 77 ALA CA C 52.19 0.2 1 525 77 77 ALA CB C 18.66 0.2 1 526 77 77 ALA N N 124.58 0.1 1 527 78 78 ASN H H 8.282 0.05 1 528 78 78 ASN HA H 4.709 0.05 1 529 78 78 ASN HB2 H 2.84 0.05 2 530 78 78 ASN HB3 H 2.733 0.05 2 531 78 78 ASN C C 172.24 0.2 1 532 78 78 ASN CA C 52.53 0.2 1 533 78 78 ASN CB C 38.34 0.2 1 534 78 78 ASN N N 118.42 0.1 1 535 79 79 ILE H H 8.023 0.05 1 536 79 79 ILE C C 172.02 0.2 1 537 79 79 ILE CA C 58.46 0.2 1 538 79 79 ILE CB C 38.22 0.2 1 539 79 79 ILE N N 123.96 0.1 1 540 81 81 ALA H H 8.494 0.05 1 541 81 81 ALA HA H 4.262 0.05 1 542 81 81 ALA HB H 1.456 0.05 1 543 81 81 ALA C C 176.16 0.2 1 544 81 81 ALA CA C 52.96 0.2 1 545 81 81 ALA CB C 18.33 0.2 1 546 81 81 ALA N N 125.66 0.1 1 547 82 82 SER H H 8.259 0.05 1 548 82 82 SER HA H 4.366 0.05 1 549 82 82 SER HB2 H 3.939 0.05 2 550 82 82 SER C C 172.49 0.2 1 551 82 82 SER CA C 58.47 0.2 1 552 82 82 SER CB C 63.2 0.2 1 553 82 82 SER N N 114.97 0.1 1 554 83 83 ALA H H 8.232 0.05 1 555 83 83 ALA HA H 4.374 0.05 1 556 83 83 ALA HB H 1.433 0.05 1 557 83 83 ALA C C 175.55 0.2 1 558 83 83 ALA CA C 52.41 0.2 1 559 83 83 ALA CB C 18.58 0.2 1 560 83 83 ALA N N 126.97 0.1 1 561 84 84 LEU H H 7.979 0.05 1 562 84 84 LEU HA H 4.339 0.05 1 563 84 84 LEU HB2 H 1.645 0.05 2 564 84 84 LEU C C 175.22 0.2 1 565 84 84 LEU CA C 55.17 0.2 1 566 84 84 LEU CB C 41.77 0.2 1 567 84 84 LEU N N 121.5 0.1 1 568 85 85 LEU H H 8.043 0.05 1 569 85 85 LEU HA H 4.42 0.05 1 570 85 85 LEU HB2 H 1.67 0.05 2 571 85 85 LEU C C 175.39 0.2 1 572 85 85 LEU CA C 55.09 0.2 1 573 85 85 LEU CB C 41.83 0.2 1 574 85 85 LEU N N 123.18 0.1 1 575 86 86 SER H H 8.232 0.05 1 576 86 86 SER HA H 4.448 0.05 1 577 86 86 SER HB2 H 3.945 0.05 2 578 86 86 SER C C 172.5 0.2 1 579 86 86 SER CA C 58.49 0.2 1 580 86 86 SER CB C 63.36 0.2 1 581 86 86 SER N N 117.14 0.1 1 582 87 87 SER H H 8.271 0.05 1 583 87 87 SER HA H 4.489 0.05 1 584 87 87 SER HB2 H 3.953 0.05 2 585 87 87 SER C C 172.1 0.2 1 586 87 87 SER CA C 58.47 0.2 1 587 87 87 SER CB C 63.39 0.2 1 588 87 87 SER N N 118.36 0.1 1 589 88 88 ASP H H 8.403 0.05 1 590 88 88 ASP HA H 4.798 0.05 1 591 88 88 ASP HB2 H 2.971 0.05 2 592 88 88 ASP C C 172.92 0.2 1 593 88 88 ASP CA C 52.8 0.2 1 594 88 88 ASP CB C 37.37 0.2 1 595 88 88 ASP N N 121.99 0.1 1 596 89 89 ILE H H 8.082 0.05 1 597 89 89 ILE HA H 4.234 0.05 1 598 89 89 ILE HB H 1.969 0.05 1 599 89 89 ILE C C 174.3 0.2 1 600 89 89 ILE CA C 61.56 0.2 1 601 89 89 ILE CB C 37.96 0.2 1 602 89 89 ILE N N 122.49 0.1 1 603 90 90 THR H H 8.168 0.05 1 604 90 90 THR HA H 4.297 0.05 1 605 90 90 THR HB H 4.27 0.05 1 606 90 90 THR C C 172.06 0.2 1 607 90 90 THR CA C 61.86 0.2 1 608 90 90 THR CB C 69.34 0.2 1 609 90 90 THR N N 119.2 0.1 1 610 91 91 ALA H H 8.262 0.05 1 611 91 91 ALA HA H 4.374 0.05 1 612 91 91 ALA HB H 1.456 0.05 1 613 91 91 ALA C C 175.7 0.2 1 614 91 91 ALA CA C 52.5 0.2 1 615 91 91 ALA CB C 18.64 0.2 1 616 91 91 ALA N N 127.34 0.1 1 617 92 92 SER H H 8.28 0.05 1 618 92 92 SER HA H 4.475 0.05 1 619 92 92 SER HB2 H 3.93 0.05 2 620 92 92 SER C C 172.78 0.2 1 621 92 92 SER CA C 58.45 0.2 1 622 92 92 SER CB C 63.36 0.2 1 623 92 92 SER N N 116.55 0.1 1 624 93 93 VAL H H 8.178 0.05 1 625 93 93 VAL HA H 4.116 0.05 1 626 93 93 VAL HB H 2.136 0.05 1 627 93 93 VAL C C 173.98 0.2 1 628 93 93 VAL CA C 62.73 0.2 1 629 93 93 VAL CB C 32.04 0.2 1 630 93 93 VAL N N 123.21 0.1 1 631 94 94 ASN H H 8.426 0.05 1 632 94 94 ASN HA H 4.714 0.05 1 633 94 94 ASN HB2 H 2.887 0.05 2 634 94 94 ASN HB3 H 2.78 0.05 2 635 94 94 ASN C C 173.02 0.2 1 636 94 94 ASN CA C 53.23 0.2 1 637 94 94 ASN CB C 38.28 0.2 1 638 94 94 ASN N N 122.59 0.1 1 639 95 95 ALA H H 8.207 0.05 1 640 95 95 ALA HA H 4.285 0.05 1 641 95 95 ALA HB H 1.45 0.05 1 642 95 95 ALA C C 175.4 0.2 1 643 95 95 ALA CA C 52.54 0.2 1 644 95 95 ALA CB C 18.54 0.2 1 645 95 95 ALA N N 125.74 0.1 1 646 96 96 ALA H H 8.149 0.05 1 647 96 96 ALA HA H 4.299 0.05 1 648 96 96 ALA HB H 1.442 0.05 1 649 96 96 ALA C C 175.61 0.2 1 650 96 96 ALA CA C 52.4 0.2 1 651 96 96 ALA CB C 18.49 0.2 1 652 96 96 ALA N N 123.6 0.1 1 653 97 97 LYS H H 8.105 0.05 1 654 97 97 LYS HA H 4.29 0.05 1 655 97 97 LYS HB2 H 1.843 0.05 2 656 97 97 LYS C C 174.18 0.2 1 657 97 97 LYS CA C 56.04 0.2 1 658 97 97 LYS CB C 32.52 0.2 1 659 97 97 LYS N N 121.23 0.1 1 660 98 98 LYS H H 8.214 0.05 1 661 98 98 LYS HA H 4.341 0.05 1 662 98 98 LYS HB2 H 1.806 0.05 2 663 98 98 LYS C C 173.96 0.2 1 664 98 98 LYS CA C 55.98 0.2 1 665 98 98 LYS CB C 32.49 0.2 1 666 98 98 LYS N N 123.85 0.1 1 667 99 99 ILE H H 8.226 0.05 1 668 99 99 ILE HA H 4.204 0.05 1 669 99 99 ILE HB H 1.891 0.05 1 670 99 99 ILE C C 173.96 0.2 1 671 99 99 ILE CA C 60.74 0.2 1 672 99 99 ILE CB C 38.09 0.2 1 673 99 99 ILE N N 124.42 0.1 1 674 100 100 VAL H H 8.323 0.05 1 675 100 100 VAL HA H 4.201 0.05 1 676 100 100 VAL HB H 2.096 0.05 1 677 100 100 VAL C C 173.7 0.2 1 678 100 100 VAL CA C 61.89 0.2 1 679 100 100 VAL CB C 32.33 0.2 1 680 100 100 VAL N N 126.35 0.1 1 681 101 101 SER H H 8.457 0.05 1 682 101 101 SER HA H 4.534 0.05 1 683 101 101 SER HB2 H 3.898 0.05 2 684 101 101 SER C C 171.99 0.2 1 685 101 101 SER CA C 57.82 0.2 1 686 101 101 SER CB C 63.54 0.2 1 687 101 101 SER N N 120.92 0.1 1 688 102 102 ASP H H 8.583 0.05 1 689 102 102 ASP HA H 4.83 0.05 1 690 102 102 ASP HB2 H 2.962 0.05 2 691 102 102 ASP C C 173.27 0.2 1 692 102 102 ASP CA C 52.48 0.2 1 693 102 102 ASP CB C 37.5 0.2 1 694 102 102 ASP N N 122.59 0.1 1 695 103 103 GLY H H 8.412 0.05 1 696 103 103 GLY HA2 H 4.01 0.05 2 697 103 103 GLY HA3 H 4.01 0.05 2 698 103 103 GLY C C 171.71 0.2 1 699 103 103 GLY CA C 45.23 0.2 1 700 103 103 GLY N N 110.46 0.1 1 701 104 104 ASN H H 8.359 0.05 1 702 104 104 ASN HA H 4.766 0.05 1 703 104 104 ASN HB2 H 2.876 0.05 2 704 104 104 ASN C C 173.66 0.2 1 705 104 104 ASN CA C 52.98 0.2 1 706 104 104 ASN CB C 38.42 0.2 1 707 104 104 ASN N N 119.71 0.1 1 708 105 105 GLY H H 8.479 0.05 1 709 105 105 GLY HA2 H 3.996 0.05 2 710 105 105 GLY HA3 H 3.996 0.05 2 711 105 105 GLY C C 172.26 0.2 1 712 105 105 GLY CA C 45.16 0.2 1 713 105 105 GLY N N 110.41 0.1 1 714 106 106 MET H H 8.216 0.05 1 715 106 106 MET HA H 4.467 0.05 1 716 106 106 MET HB2 H 2.071 0.05 2 717 106 106 MET C C 174.03 0.2 1 718 106 106 MET CA C 55.53 0.2 1 719 106 106 MET CB C 31.99 0.2 1 720 106 106 MET N N 120.99 0.1 1 721 107 107 ASN H H 8.408 0.05 1 722 107 107 ASN HA H 4.644 0.05 1 723 107 107 ASN HB2 H 2.766 0.05 2 724 107 107 ASN C C 173.15 0.2 1 725 107 107 ASN CA C 53.53 0.2 1 726 107 107 ASN CB C 38.09 0.2 1 727 107 107 ASN N N 120.43 0.1 1 728 108 108 ALA H H 8.213 0.05 1 729 108 108 ALA HA H 4.248 0.05 1 730 108 108 ALA HB H 1.377 0.05 1 731 108 108 ALA C C 175.61 0.2 1 732 108 108 ALA CA C 53.26 0.2 1 733 108 108 ALA CB C 18.31 0.2 1 734 108 108 ALA N N 124.94 0.1 1 735 109 109 TRP H H 8.049 0.05 1 736 109 109 TRP HA H 4.583 0.05 1 737 109 109 TRP HB2 H 3.325 0.05 2 738 109 109 TRP C C 174.43 0.2 1 739 109 109 TRP CA C 58.15 0.2 1 740 109 109 TRP CB C 28.69 0.2 1 741 109 109 TRP N N 120.93 0.1 1 742 110 110 VAL H H 7.768 0.05 1 743 110 110 VAL HA H 3.782 0.05 1 744 110 110 VAL HB H 1.927 0.05 1 745 110 110 VAL C C 174.01 0.2 1 746 110 110 VAL CA C 63.21 0.2 1 747 110 110 VAL CB C 32.13 0.2 1 748 110 110 VAL N N 122.35 0.1 1 749 111 111 ALA H H 8.033 0.05 1 750 111 111 ALA HA H 4.13 0.05 1 751 111 111 ALA HB H 1.413 0.05 1 752 111 111 ALA C C 176.25 0.2 1 753 111 111 ALA CA C 53.24 0.2 1 754 111 111 ALA CB C 18.13 0.2 1 755 111 111 ALA N N 125.82 0.1 1 756 112 112 TRP H H 7.905 0.05 1 757 112 112 TRP HA H 4.481 0.05 1 758 112 112 TRP HB2 H 3.339 0.05 2 759 112 112 TRP C C 174.82 0.2 1 760 112 112 TRP CA C 58.17 0.2 1 761 112 112 TRP CB C 28.54 0.2 1 762 112 112 TRP N N 120.32 0.1 1 763 113 113 ARG H H 7.972 0.05 1 764 113 113 ARG HA H 3.959 0.05 1 765 113 113 ARG HB2 H 1.684 0.05 2 766 113 113 ARG HB3 H 1.545 0.05 2 767 113 113 ARG C C 174.13 0.2 1 768 113 113 ARG CA C 56.84 0.2 1 769 113 113 ARG CB C 29.72 0.2 1 770 113 113 ARG N N 122.18 0.1 1 771 114 114 ASN H H 8.095 0.05 1 772 114 114 ASN HA H 4.625 0.05 1 773 114 114 ASN HB2 H 2.887 0.05 2 774 114 114 ASN HB3 H 2.71 0.05 2 775 114 114 ASN C C 173.06 0.2 1 776 114 114 ASN CA C 53.27 0.2 1 777 114 114 ASN CB C 38.15 0.2 1 778 114 114 ASN N N 119.17 0.1 1 779 115 115 ARG H H 7.909 0.05 1 780 115 115 ARG HA H 4.238 0.05 1 781 115 115 ARG HB2 H 1.931 0.05 2 782 115 115 ARG C C 173.78 0.2 1 783 115 115 ARG CA C 56.24 0.2 1 784 115 115 ARG CB C 29.97 0.2 1 785 115 115 ARG N N 122.14 0.1 1 786 116 116 ALA H H 8.183 0.05 1 787 116 116 ALA HA H 4.276 0.05 1 788 116 116 ALA HB H 1.368 0.05 1 789 116 116 ALA C C 175.47 0.2 1 790 116 116 ALA CA C 52.36 0.2 1 791 116 116 ALA CB C 18.52 0.2 1 792 116 116 ALA N N 125.59 0.1 1 793 117 117 LYS H H 8.224 0.05 1 794 117 117 LYS HA H 4.285 0.05 1 795 117 117 LYS HB2 H 1.858 0.05 2 796 117 117 LYS C C 174.87 0.2 1 797 117 117 LYS CA C 56.35 0.2 1 798 117 117 LYS CB C 32.45 0.2 1 799 117 117 LYS N N 121.58 0.1 1 800 118 118 GLY H H 8.376 0.05 1 801 118 118 GLY HA2 H 4.047 0.05 2 802 118 118 GLY HA3 H 4.047 0.05 2 803 118 118 GLY C C 171.93 0.2 1 804 118 118 GLY CA C 44.95 0.2 1 805 118 118 GLY N N 110.91 0.1 1 806 119 119 THR H H 8.067 0.05 1 807 119 119 THR HA H 4.389 0.05 1 808 119 119 THR HB H 4.266 0.05 1 809 119 119 THR C C 172.03 0.2 1 810 119 119 THR CA C 61.61 0.2 1 811 119 119 THR CB C 69.55 0.2 1 812 119 119 THR N N 114.32 0.1 1 813 120 120 ASP H H 8.573 0.05 1 814 120 120 ASP HA H 4.798 0.05 1 815 120 120 ASP HB2 H 2.887 0.05 2 816 120 120 ASP C C 172.73 0.2 1 817 120 120 ASP CA C 52.48 0.2 1 818 120 120 ASP CB C 37.51 0.2 1 819 120 120 ASP N N 122.63 0.1 1 820 121 121 VAL H H 8.104 0.05 1 821 121 121 VAL HA H 4.015 0.05 1 822 121 121 VAL HB H 2.067 0.05 1 823 121 121 VAL C C 173.92 0.2 1 824 121 121 VAL CA C 62.57 0.2 1 825 121 121 VAL CB C 31.98 0.2 1 826 121 121 VAL N N 122.04 0.1 1 827 122 122 GLN H H 8.367 0.05 1 828 122 122 GLN C C 173.49 0.2 1 829 122 122 GLN CA C 55.76 0.2 1 830 122 122 GLN CB C 28.47 0.2 1 831 122 122 GLN N N 124.49 0.1 1 832 124 124 TRP H H 7.995 0.05 1 833 124 124 TRP HA H 4.677 0.05 1 834 124 124 TRP HB2 H 3.274 0.05 2 835 124 124 TRP C C 173.88 0.2 1 836 124 124 TRP CA C 57 0.2 1 837 124 124 TRP CB C 28.87 0.2 1 838 124 124 TRP N N 120.96 0.1 1 839 125 125 ILE H H 7.879 0.05 1 840 125 125 ILE HA H 4.042 0.05 1 841 125 125 ILE HB H 1.772 0.05 1 842 125 125 ILE C C 173.52 0.2 1 843 125 125 ILE CA C 60.91 0.2 1 844 125 125 ILE CB C 38.22 0.2 1 845 125 125 ILE N N 124.16 0.1 1 846 126 126 ARG H H 8.191 0.05 1 847 126 126 ARG HA H 4.144 0.05 1 848 126 126 ARG HB2 H 1.836 0.05 2 849 126 126 ARG HB3 H 1.754 0.05 2 850 126 126 ARG C C 174.43 0.2 1 851 126 126 ARG CA C 56.29 0.2 1 852 126 126 ARG CB C 29.86 0.2 1 853 126 126 ARG N N 125.59 0.1 1 854 127 127 GLY H H 8.327 0.05 1 855 127 127 GLY HA2 H 3.968 0.05 2 856 127 127 GLY HA3 H 3.968 0.05 2 857 127 127 GLY C C 171.32 0.2 1 858 127 127 GLY CA C 44.79 0.2 1 859 127 127 GLY N N 111.2 0.1 1 860 128 128 ALA H H 8.068 0.05 1 861 128 128 ALA HA H 4.327 0.05 1 862 128 128 ALA HB H 1.382 0.05 1 863 128 128 ALA C C 175.04 0.2 1 864 128 128 ALA CA C 52.06 0.2 1 865 128 128 ALA CB C 18.93 0.2 1 866 128 128 ALA N N 124.83 0.1 1 867 129 129 ARG H H 8.296 0.05 1 868 129 129 ARG HA H 4.327 0.05 1 869 129 129 ARG HB2 H 1.866 0.05 2 870 129 129 ARG HB3 H 1.74 0.05 2 871 129 129 ARG C C 173.77 0.2 1 872 129 129 ARG CA C 55.52 0.2 1 873 129 129 ARG CB C 30.15 0.2 1 874 129 129 ARG N N 121.51 0.1 1 875 130 130 LEU H H 8.387 0.05 1 876 130 130 LEU C C 176.77 0.2 1 877 130 130 LEU CA C 53.78 0.2 1 878 130 130 LEU CB C 41.49 0.2 1 879 130 130 LEU N N 125.83 0.1 1 stop_ save_