data_11310 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C-terminal domain of mouse phosphoacetylglucosamine mutase (PAGM) ; _BMRB_accession_number 11310 _BMRB_flat_file_name bmr11310.str _Entry_type original _Submission_date 2010-08-10 _Accession_date 2010-08-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yoneyama M. . . 2 Tochio N. . . 3 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 587 "13C chemical shifts" 440 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-19 original author . stop_ _Original_release_date 2011-08-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C-terminal domain of mouse phosphoacetylglucosamine mutase (PAGM) ; _Citation_status 'in preparation' _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 Yoneyama M. . . 2 Tochio N. . . 3 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'phosphoacetylglucosamine mutase' _Enzyme_commission_number E.C.5.4.2.3 loop_ _Mol_system_component_name _Mol_label 'C-terminal domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'C-terminal domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; GSSGSSGAIYVDLPNRQLKV KVADRRVISTTDAERQAVTP PGLQEAINDLVKKYTLARAF VRPSGTEDIVRVYAEANSQE SADRLAYEVSLLVFQLAGGI GERPQPSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 ILE 10 TYR 11 VAL 12 ASP 13 LEU 14 PRO 15 ASN 16 ARG 17 GLN 18 LEU 19 LYS 20 VAL 21 LYS 22 VAL 23 ALA 24 ASP 25 ARG 26 ARG 27 VAL 28 ILE 29 SER 30 THR 31 THR 32 ASP 33 ALA 34 GLU 35 ARG 36 GLN 37 ALA 38 VAL 39 THR 40 PRO 41 PRO 42 GLY 43 LEU 44 GLN 45 GLU 46 ALA 47 ILE 48 ASN 49 ASP 50 LEU 51 VAL 52 LYS 53 LYS 54 TYR 55 THR 56 LEU 57 ALA 58 ARG 59 ALA 60 PHE 61 VAL 62 ARG 63 PRO 64 SER 65 GLY 66 THR 67 GLU 68 ASP 69 ILE 70 VAL 71 ARG 72 VAL 73 TYR 74 ALA 75 GLU 76 ALA 77 ASN 78 SER 79 GLN 80 GLU 81 SER 82 ALA 83 ASP 84 ARG 85 LEU 86 ALA 87 TYR 88 GLU 89 VAL 90 SER 91 LEU 92 LEU 93 VAL 94 PHE 95 GLN 96 LEU 97 ALA 98 GLY 99 GLY 100 ILE 101 GLY 102 GLU 103 ARG 104 PRO 105 GLN 106 PRO 107 SER 108 GLY 109 PRO 110 SER 111 SER 112 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-27 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1WJW "Solution Structure Of The C-Terminal Domain Of Mouse Phosphoacetylglucosamine Mutase (Pagm)" 100.00 112 100.00 100.00 3.15e-72 DBJ BAB28834 "unnamed protein product [Mus musculus]" 89.29 542 99.00 100.00 6.99e-60 DBJ BAC25733 "unnamed protein product [Mus musculus]" 89.29 542 99.00 100.00 6.99e-60 DBJ BAC29478 "unnamed protein product [Mus musculus]" 89.29 542 99.00 100.00 7.14e-60 DBJ BAC33692 "unnamed protein product [Mus musculus]" 89.29 542 99.00 100.00 6.99e-60 DBJ BAC34728 "unnamed protein product [Mus musculus]" 89.29 542 99.00 100.00 6.99e-60 GB AAI38701 "Phosphoglucomutase 3 [Mus musculus]" 89.29 542 99.00 100.00 6.99e-60 GB EDL26495 "phosphoglucomutase 3, isoform CRA_a [Mus musculus]" 89.29 542 99.00 100.00 6.23e-60 REF NP_082628 "phosphoacetylglucosamine mutase isoform 1 [Mus musculus]" 89.29 542 99.00 100.00 6.99e-60 REF XP_011240958 "PREDICTED: phosphoacetylglucosamine mutase isoform X1 [Mus musculus]" 64.29 533 100.00 100.00 1.44e-39 SP Q9CYR6 "RecName: Full=Phosphoacetylglucosamine mutase; Short=PAGM; AltName: Full=Acetylglucosamine phosphomutase; AltName: Full=N-acety" 89.29 542 99.00 100.00 6.99e-60 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P040113-52 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1mM C-terminal domain of Phosphoacetylglucosamine mutase(PAGM) U-15N, {13C;} 20mM Phosphate Buffer {Na;} 300mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'Phosphate Buffer Na' 20 mM 'natural abundance' NaCl 300 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delagio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Jhonson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_KUJIRA _Saveframe_category software _Name Kujira _Version 0.896 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.8 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 320 0.1 mM pH 6.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $KUJIRA $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'C-terminal domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 SER HA H 4.538 0.030 1 2 3 3 SER HB2 H 3.944 0.030 1 3 3 3 SER HB3 H 3.944 0.030 1 4 3 3 SER C C 175.112 0.300 1 5 3 3 SER CA C 58.677 0.300 1 6 3 3 SER CB C 63.824 0.300 1 7 4 4 GLY H H 8.486 0.030 1 8 4 4 GLY HA2 H 4.071 0.030 1 9 4 4 GLY HA3 H 4.071 0.030 1 10 4 4 GLY C C 174.396 0.300 1 11 4 4 GLY CA C 45.442 0.300 1 12 4 4 GLY N N 111.003 0.300 1 13 5 5 SER H H 8.301 0.030 1 14 5 5 SER C C 174.967 0.300 1 15 5 5 SER CA C 58.395 0.300 1 16 5 5 SER CB C 63.910 0.300 1 17 5 5 SER N N 115.842 0.300 1 18 6 6 SER HA H 4.504 0.030 1 19 6 6 SER HB2 H 3.944 0.030 1 20 6 6 SER HB3 H 3.944 0.030 1 21 6 6 SER C C 175.064 0.300 1 22 6 6 SER CA C 58.747 0.300 1 23 6 6 SER CB C 63.873 0.300 1 24 7 7 GLY H H 8.399 0.030 1 25 7 7 GLY HA2 H 3.995 0.030 1 26 7 7 GLY HA3 H 3.995 0.030 1 27 7 7 GLY C C 173.777 0.300 1 28 7 7 GLY CA C 45.335 0.300 1 29 7 7 GLY N N 110.817 0.300 1 30 8 8 ALA H H 8.065 0.030 1 31 8 8 ALA HA H 4.317 0.030 1 32 8 8 ALA HB H 1.330 0.030 1 33 8 8 ALA C C 177.394 0.300 1 34 8 8 ALA CA C 52.413 0.300 1 35 8 8 ALA CB C 19.395 0.300 1 36 8 8 ALA N N 123.895 0.300 1 37 9 9 ILE H H 7.965 0.030 1 38 9 9 ILE HA H 4.124 0.030 1 39 9 9 ILE HB H 1.764 0.030 1 40 9 9 ILE HD1 H 0.824 0.030 1 41 9 9 ILE HG12 H 1.341 0.030 2 42 9 9 ILE HG13 H 1.102 0.030 2 43 9 9 ILE HG2 H 0.794 0.030 1 44 9 9 ILE C C 175.768 0.300 1 45 9 9 ILE CA C 61.088 0.300 1 46 9 9 ILE CB C 38.963 0.300 1 47 9 9 ILE CD1 C 13.064 0.300 1 48 9 9 ILE CG1 C 27.014 0.300 1 49 9 9 ILE CG2 C 17.461 0.300 1 50 9 9 ILE N N 119.288 0.300 1 51 10 10 TYR H H 8.226 0.030 1 52 10 10 TYR HA H 4.662 0.030 1 53 10 10 TYR HB2 H 3.091 0.030 2 54 10 10 TYR HB3 H 2.906 0.030 2 55 10 10 TYR HD1 H 7.121 0.030 1 56 10 10 TYR HD2 H 7.121 0.030 1 57 10 10 TYR HE1 H 6.818 0.030 1 58 10 10 TYR HE2 H 6.818 0.030 1 59 10 10 TYR C C 175.331 0.300 1 60 10 10 TYR CA C 57.568 0.300 1 61 10 10 TYR CB C 38.972 0.300 1 62 10 10 TYR CD1 C 133.300 0.300 1 63 10 10 TYR CD2 C 133.300 0.300 1 64 10 10 TYR CE1 C 118.225 0.300 1 65 10 10 TYR CE2 C 118.225 0.300 1 66 10 10 TYR N N 124.153 0.300 1 67 11 11 VAL H H 7.916 0.030 1 68 11 11 VAL HA H 4.144 0.030 1 69 11 11 VAL HB H 2.032 0.030 1 70 11 11 VAL HG1 H 0.922 0.030 1 71 11 11 VAL HG2 H 0.912 0.030 1 72 11 11 VAL C C 174.979 0.300 1 73 11 11 VAL CA C 61.845 0.300 1 74 11 11 VAL CB C 33.430 0.300 1 75 11 11 VAL CG1 C 21.158 0.300 2 76 11 11 VAL CG2 C 20.431 0.300 2 77 11 11 VAL N N 121.757 0.300 1 78 12 12 ASP H H 8.345 0.030 1 79 12 12 ASP HA H 4.602 0.030 1 80 12 12 ASP HB2 H 2.778 0.030 2 81 12 12 ASP HB3 H 2.574 0.030 2 82 12 12 ASP C C 175.622 0.300 1 83 12 12 ASP CA C 54.242 0.300 1 84 12 12 ASP CB C 41.009 0.300 1 85 12 12 ASP N N 123.433 0.300 1 86 13 13 LEU H H 8.062 0.030 1 87 13 13 LEU HA H 4.598 0.030 1 88 13 13 LEU HB2 H 1.764 0.030 2 89 13 13 LEU HB3 H 1.447 0.030 2 90 13 13 LEU HD1 H 0.881 0.030 1 91 13 13 LEU HD2 H 0.881 0.030 1 92 13 13 LEU HG H 1.652 0.030 1 93 13 13 LEU CA C 53.311 0.300 1 94 13 13 LEU CB C 41.898 0.300 1 95 13 13 LEU CD1 C 23.424 0.300 1 96 13 13 LEU CD2 C 23.424 0.300 1 97 13 13 LEU CG C 27.207 0.300 1 98 13 13 LEU N N 123.532 0.300 1 99 14 14 PRO HA H 4.346 0.030 1 100 14 14 PRO HB2 H 1.497 0.030 2 101 14 14 PRO HB3 H 1.997 0.030 2 102 14 14 PRO HD2 H 4.166 0.030 2 103 14 14 PRO HD3 H 3.786 0.030 2 104 14 14 PRO HG2 H 1.923 0.030 2 105 14 14 PRO HG3 H 1.745 0.030 2 106 14 14 PRO C C 173.923 0.300 1 107 14 14 PRO CA C 63.581 0.300 1 108 14 14 PRO CB C 31.900 0.300 1 109 14 14 PRO CD C 50.334 0.300 1 110 14 14 PRO CG C 27.939 0.300 1 111 15 15 ASN H H 8.299 0.030 1 112 15 15 ASN HA H 5.446 0.030 1 113 15 15 ASN HB2 H 2.799 0.030 2 114 15 15 ASN HB3 H 2.470 0.030 2 115 15 15 ASN HD21 H 7.722 0.030 2 116 15 15 ASN HD22 H 6.962 0.030 2 117 15 15 ASN C C 173.935 0.300 1 118 15 15 ASN CA C 52.148 0.300 1 119 15 15 ASN CB C 43.421 0.300 1 120 15 15 ASN N N 114.601 0.300 1 121 15 15 ASN ND2 N 116.213 0.300 1 122 16 16 ARG H H 8.802 0.030 1 123 16 16 ARG HA H 4.443 0.030 1 124 16 16 ARG HB2 H 1.854 0.030 2 125 16 16 ARG HB3 H 1.417 0.030 2 126 16 16 ARG HD2 H 3.428 0.030 2 127 16 16 ARG HD3 H 3.228 0.030 2 128 16 16 ARG HG2 H 1.694 0.030 2 129 16 16 ARG HG3 H 1.296 0.030 2 130 16 16 ARG C C 172.685 0.300 1 131 16 16 ARG CA C 54.173 0.300 1 132 16 16 ARG CB C 31.973 0.300 1 133 16 16 ARG CD C 41.132 0.300 1 134 16 16 ARG CG C 26.498 0.300 1 135 16 16 ARG N N 120.474 0.300 1 136 17 17 GLN H H 8.397 0.030 1 137 17 17 GLN HA H 5.775 0.030 1 138 17 17 GLN HB2 H 2.154 0.030 2 139 17 17 GLN HB3 H 2.045 0.030 2 140 17 17 GLN HE21 H 7.625 0.030 2 141 17 17 GLN HE22 H 7.061 0.030 2 142 17 17 GLN HG2 H 2.325 0.030 1 143 17 17 GLN HG3 H 2.325 0.030 1 144 17 17 GLN C C 175.113 0.300 1 145 17 17 GLN CA C 53.784 0.300 1 146 17 17 GLN CB C 32.248 0.300 1 147 17 17 GLN CG C 35.273 0.300 1 148 17 17 GLN N N 124.379 0.300 1 149 17 17 GLN NE2 N 112.559 0.300 1 150 18 18 LEU H H 8.937 0.030 1 151 18 18 LEU HA H 4.897 0.030 1 152 18 18 LEU HB2 H 1.615 0.030 2 153 18 18 LEU HB3 H 1.414 0.030 2 154 18 18 LEU HD1 H 0.787 0.030 1 155 18 18 LEU HD2 H 0.980 0.030 1 156 18 18 LEU HG H 1.345 0.030 1 157 18 18 LEU C C 175.646 0.300 1 158 18 18 LEU CA C 53.415 0.300 1 159 18 18 LEU CB C 46.732 0.300 1 160 18 18 LEU CD1 C 25.441 0.300 2 161 18 18 LEU CD2 C 23.484 0.300 2 162 18 18 LEU CG C 27.170 0.300 1 163 18 18 LEU N N 123.340 0.300 1 164 19 19 LYS H H 8.628 0.030 1 165 19 19 LYS HA H 5.056 0.030 1 166 19 19 LYS HB2 H 1.772 0.030 2 167 19 19 LYS HB3 H 1.637 0.030 2 168 19 19 LYS HD2 H 1.695 0.030 1 169 19 19 LYS HD3 H 1.695 0.030 1 170 19 19 LYS HE2 H 2.956 0.030 1 171 19 19 LYS HE3 H 2.956 0.030 1 172 19 19 LYS HG2 H 1.502 0.030 2 173 19 19 LYS HG3 H 1.255 0.030 2 174 19 19 LYS C C 175.477 0.300 1 175 19 19 LYS CA C 55.650 0.300 1 176 19 19 LYS CB C 35.434 0.300 1 177 19 19 LYS CD C 29.681 0.300 1 178 19 19 LYS CE C 42.081 0.300 1 179 19 19 LYS CG C 25.349 0.300 1 180 19 19 LYS N N 120.032 0.300 1 181 20 20 VAL H H 8.970 0.030 1 182 20 20 VAL HA H 4.382 0.030 1 183 20 20 VAL HB H 1.918 0.030 1 184 20 20 VAL HG1 H 1.002 0.030 1 185 20 20 VAL HG2 H 0.964 0.030 1 186 20 20 VAL C C 175.039 0.300 1 187 20 20 VAL CA C 61.176 0.300 1 188 20 20 VAL CB C 35.285 0.300 1 189 20 20 VAL CG1 C 21.347 0.300 2 190 20 20 VAL CG2 C 21.567 0.300 2 191 20 20 VAL N N 123.243 0.300 1 192 21 21 LYS H H 9.079 0.030 1 193 21 21 LYS HA H 4.661 0.030 1 194 21 21 LYS HB2 H 1.924 0.030 2 195 21 21 LYS HB3 H 1.865 0.030 2 196 21 21 LYS HD2 H 1.757 0.030 1 197 21 21 LYS HD3 H 1.757 0.030 1 198 21 21 LYS HE2 H 3.048 0.030 1 199 21 21 LYS HE3 H 3.048 0.030 1 200 21 21 LYS HG2 H 1.662 0.030 2 201 21 21 LYS HG3 H 1.420 0.030 2 202 21 21 LYS C C 175.938 0.300 1 203 21 21 LYS CA C 57.393 0.300 1 204 21 21 LYS CB C 33.041 0.300 1 205 21 21 LYS CD C 29.635 0.300 1 206 21 21 LYS CE C 42.068 0.300 1 207 21 21 LYS CG C 25.372 0.300 1 208 21 21 LYS N N 129.086 0.300 1 209 22 22 VAL H H 7.800 0.030 1 210 22 22 VAL HA H 4.931 0.030 1 211 22 22 VAL HB H 2.281 0.030 1 212 22 22 VAL HG1 H 0.539 0.030 1 213 22 22 VAL HG2 H 0.412 0.030 1 214 22 22 VAL C C 174.955 0.300 1 215 22 22 VAL CA C 58.316 0.300 1 216 22 22 VAL CB C 35.265 0.300 1 217 22 22 VAL CG1 C 21.590 0.300 2 218 22 22 VAL CG2 C 16.818 0.300 2 219 22 22 VAL N N 113.765 0.300 1 220 23 23 ALA H H 8.359 0.030 1 221 23 23 ALA HA H 4.079 0.030 1 222 23 23 ALA HB H 1.414 0.030 1 223 23 23 ALA C C 178.584 0.300 1 224 23 23 ALA CA C 54.229 0.300 1 225 23 23 ALA CB C 18.730 0.300 1 226 23 23 ALA N N 122.242 0.300 1 227 24 24 ASP H H 7.935 0.030 1 228 24 24 ASP HA H 4.628 0.030 1 229 24 24 ASP HB2 H 2.663 0.030 2 230 24 24 ASP HB3 H 2.580 0.030 2 231 24 24 ASP C C 177.358 0.300 1 232 24 24 ASP CA C 53.116 0.300 1 233 24 24 ASP CB C 42.143 0.300 1 234 24 24 ASP N N 112.232 0.300 1 235 25 25 ARG H H 9.320 0.030 1 236 25 25 ARG HA H 3.972 0.030 1 237 25 25 ARG HB2 H 2.267 0.030 2 238 25 25 ARG HB3 H 2.059 0.030 2 239 25 25 ARG HD2 H 3.267 0.030 2 240 25 25 ARG HD3 H 3.013 0.030 2 241 25 25 ARG HG2 H 1.759 0.030 2 242 25 25 ARG HG3 H 1.627 0.030 2 243 25 25 ARG C C 175.817 0.300 1 244 25 25 ARG CA C 58.466 0.300 1 245 25 25 ARG CB C 29.498 0.300 1 246 25 25 ARG CD C 43.221 0.300 1 247 25 25 ARG CG C 26.495 0.300 1 248 25 25 ARG N N 127.236 0.300 1 249 26 26 ARG H H 8.341 0.030 1 250 26 26 ARG HA H 4.197 0.030 1 251 26 26 ARG HB2 H 1.887 0.030 1 252 26 26 ARG HB3 H 1.887 0.030 1 253 26 26 ARG HD2 H 3.259 0.030 1 254 26 26 ARG HD3 H 3.259 0.030 1 255 26 26 ARG HG2 H 1.515 0.030 2 256 26 26 ARG HG3 H 1.266 0.030 2 257 26 26 ARG C C 177.224 0.300 1 258 26 26 ARG CA C 57.304 0.300 1 259 26 26 ARG CB C 29.751 0.300 1 260 26 26 ARG CD C 43.468 0.300 1 261 26 26 ARG CG C 27.457 0.300 1 262 26 26 ARG N N 117.665 0.300 1 263 27 27 VAL H H 7.116 0.030 1 264 27 27 VAL HA H 3.878 0.030 1 265 27 27 VAL HB H 2.245 0.030 1 266 27 27 VAL HG1 H 1.041 0.030 1 267 27 27 VAL HG2 H 1.008 0.030 1 268 27 27 VAL C C 175.902 0.300 1 269 27 27 VAL CA C 64.010 0.300 1 270 27 27 VAL CB C 31.996 0.300 1 271 27 27 VAL CG1 C 21.155 0.300 2 272 27 27 VAL CG2 C 20.795 0.300 2 273 27 27 VAL N N 114.389 0.300 1 274 28 28 ILE H H 7.495 0.030 1 275 28 28 ILE HA H 4.683 0.030 1 276 28 28 ILE HB H 1.700 0.030 1 277 28 28 ILE HD1 H 0.821 0.030 1 278 28 28 ILE HG12 H 1.609 0.030 2 279 28 28 ILE HG13 H 1.090 0.030 2 280 28 28 ILE HG2 H 0.898 0.030 1 281 28 28 ILE C C 173.631 0.300 1 282 28 28 ILE CA C 59.698 0.300 1 283 28 28 ILE CB C 39.766 0.300 1 284 28 28 ILE CD1 C 15.611 0.300 1 285 28 28 ILE CG1 C 28.364 0.300 1 286 28 28 ILE CG2 C 17.394 0.300 1 287 28 28 ILE N N 119.776 0.300 1 288 29 29 SER H H 7.816 0.030 1 289 29 29 SER HA H 4.909 0.030 1 290 29 29 SER HB2 H 3.874 0.030 1 291 29 29 SER HB3 H 3.874 0.030 1 292 29 29 SER C C 174.202 0.300 1 293 29 29 SER CA C 56.759 0.300 1 294 29 29 SER CB C 65.768 0.300 1 295 29 29 SER N N 120.299 0.300 1 296 30 30 THR H H 8.724 0.030 1 297 30 30 THR HA H 4.791 0.030 1 298 30 30 THR HB H 4.252 0.030 1 299 30 30 THR HG2 H 1.202 0.030 1 300 30 30 THR C C 174.651 0.300 1 301 30 30 THR CA C 60.563 0.300 1 302 30 30 THR CB C 71.830 0.300 1 303 30 30 THR CG2 C 21.430 0.300 1 304 30 30 THR N N 114.610 0.300 1 305 31 31 THR H H 8.823 0.030 1 306 31 31 THR HA H 4.641 0.030 1 307 31 31 THR HB H 4.311 0.030 1 308 31 31 THR HG2 H 1.192 0.030 1 309 31 31 THR CA C 60.489 0.300 1 310 31 31 THR CB C 70.025 0.300 1 311 31 31 THR CG2 C 21.406 0.300 1 312 31 31 THR N N 114.393 0.300 1 313 32 32 ASP H H 8.411 0.030 1 314 33 33 ALA H H 8.307 0.030 1 315 33 33 ALA HA H 4.066 0.030 1 316 33 33 ALA HB H 1.459 0.030 1 317 33 33 ALA C C 178.366 0.300 1 318 33 33 ALA CA C 53.698 0.300 1 319 33 33 ALA CB C 18.970 0.300 1 320 33 33 ALA N N 123.023 0.300 1 321 34 34 GLU H H 8.271 0.030 1 322 34 34 GLU HA H 4.258 0.030 1 323 34 34 GLU HB2 H 2.152 0.030 1 324 34 34 GLU HB3 H 2.152 0.030 1 325 34 34 GLU HG2 H 2.273 0.030 1 326 34 34 GLU HG3 H 2.273 0.030 1 327 34 34 GLU C C 176.594 0.300 1 328 34 34 GLU CA C 56.732 0.300 1 329 34 34 GLU CB C 29.828 0.300 1 330 34 34 GLU CG C 36.466 0.300 1 331 34 34 GLU N N 117.555 0.300 1 332 35 35 ARG H H 8.099 0.030 1 333 35 35 ARG HA H 4.253 0.030 1 334 35 35 ARG HB2 H 1.914 0.030 1 335 35 35 ARG HB3 H 1.914 0.030 1 336 35 35 ARG HD2 H 3.215 0.030 1 337 35 35 ARG HD3 H 3.215 0.030 1 338 35 35 ARG HG2 H 1.633 0.030 1 339 35 35 ARG HG3 H 1.633 0.030 1 340 35 35 ARG C C 175.914 0.300 1 341 35 35 ARG CA C 56.684 0.300 1 342 35 35 ARG CB C 30.016 0.300 1 343 35 35 ARG CD C 43.468 0.300 1 344 35 35 ARG CG C 27.075 0.300 1 345 35 35 ARG N N 118.695 0.300 1 346 36 36 GLN H H 8.304 0.030 1 347 36 36 GLN HA H 4.360 0.030 1 348 36 36 GLN HB2 H 2.116 0.030 2 349 36 36 GLN HB3 H 2.003 0.030 2 350 36 36 GLN HE21 H 8.274 0.030 2 351 36 36 GLN HE22 H 6.998 0.030 2 352 36 36 GLN HG2 H 2.413 0.030 1 353 36 36 GLN HG3 H 2.413 0.030 1 354 36 36 GLN C C 175.477 0.300 1 355 36 36 GLN CA C 55.685 0.300 1 356 36 36 GLN CB C 29.375 0.300 1 357 36 36 GLN CG C 33.819 0.300 1 358 36 36 GLN N N 119.750 0.300 1 359 36 36 GLN NE2 N 118.052 0.300 1 360 37 37 ALA H H 8.330 0.030 1 361 37 37 ALA HA H 4.476 0.030 1 362 37 37 ALA HB H 1.399 0.030 1 363 37 37 ALA C C 177.370 0.300 1 364 37 37 ALA CA C 52.447 0.300 1 365 37 37 ALA CB C 19.384 0.300 1 366 37 37 ALA N N 124.929 0.300 1 367 38 38 VAL H H 8.959 0.030 1 368 38 38 VAL HA H 4.127 0.030 1 369 38 38 VAL HB H 2.172 0.030 1 370 38 38 VAL HG1 H 0.912 0.030 1 371 38 38 VAL CB C 33.095 0.300 1 372 38 38 VAL CG1 C 20.905 0.300 2 373 39 39 THR H H 7.813 0.030 1 374 39 39 THR HA H 4.375 0.030 1 375 39 39 THR HB H 4.518 0.030 1 376 39 39 THR HG2 H 1.205 0.030 1 377 39 39 THR CA C 58.456 0.300 1 378 39 39 THR CB C 69.833 0.300 1 379 39 39 THR CG2 C 22.175 0.300 1 380 40 40 PRO HA H 5.092 0.030 1 381 40 40 PRO HB2 H 2.612 0.030 2 382 40 40 PRO HB3 H 2.194 0.030 2 383 40 40 PRO HD2 H 3.657 0.030 2 384 40 40 PRO HD3 H 3.548 0.030 2 385 40 40 PRO HG2 H 1.892 0.030 2 386 40 40 PRO HG3 H 1.769 0.030 2 387 40 40 PRO CA C 60.771 0.300 1 388 40 40 PRO CB C 33.472 0.300 1 389 40 40 PRO CD C 50.404 0.300 1 390 40 40 PRO CG C 24.929 0.300 1 391 41 41 PRO HA H 4.534 0.030 1 392 41 41 PRO HB2 H 2.468 0.030 2 393 41 41 PRO HB3 H 2.022 0.030 2 394 41 41 PRO HD2 H 3.954 0.030 2 395 41 41 PRO HD3 H 3.839 0.030 2 396 41 41 PRO HG2 H 2.269 0.030 2 397 41 41 PRO HG3 H 2.186 0.030 2 398 41 41 PRO CA C 64.469 0.300 1 399 41 41 PRO CB C 31.743 0.300 1 400 41 41 PRO CD C 51.133 0.300 1 401 41 41 PRO CG C 27.900 0.300 1 402 42 42 GLY H H 8.666 0.030 1 403 42 42 GLY HA2 H 4.287 0.030 2 404 42 42 GLY HA3 H 3.852 0.030 2 405 42 42 GLY CA C 45.838 0.300 1 406 42 42 GLY N N 111.143 0.300 1 407 43 43 LEU H H 7.390 0.030 1 408 43 43 LEU HA H 4.128 0.030 1 409 43 43 LEU HB2 H 1.966 0.030 2 410 43 43 LEU HB3 H 1.263 0.030 2 411 43 43 LEU HD1 H 0.877 0.030 1 412 43 43 LEU HD2 H 0.883 0.030 1 413 43 43 LEU HG H 1.494 0.030 1 414 43 43 LEU CA C 58.480 0.300 1 415 43 43 LEU CB C 41.325 0.300 1 416 43 43 LEU CD1 C 24.166 0.300 2 417 43 43 LEU CD2 C 27.370 0.300 2 418 43 43 LEU CG C 27.467 0.300 1 419 43 43 LEU N N 122.124 0.300 1 420 44 44 GLN H H 9.041 0.030 1 421 44 44 GLN HA H 3.850 0.030 1 422 44 44 GLN HB2 H 2.795 0.030 2 423 44 44 GLN HB3 H 2.022 0.030 2 424 44 44 GLN HE21 H 7.757 0.030 2 425 44 44 GLN HE22 H 7.528 0.030 2 426 44 44 GLN HG2 H 2.560 0.030 2 427 44 44 GLN HG3 H 2.356 0.030 2 428 44 44 GLN C C 178.099 0.300 1 429 44 44 GLN CA C 58.661 0.300 1 430 44 44 GLN CB C 27.985 0.300 1 431 44 44 GLN CG C 34.159 0.300 1 432 44 44 GLN NE2 N 116.142 0.300 1 433 45 45 GLU H H 9.034 0.030 1 434 45 45 GLU HA H 4.004 0.030 1 435 45 45 GLU HB2 H 2.038 0.030 1 436 45 45 GLU HB3 H 2.038 0.030 1 437 45 45 GLU HG2 H 2.466 0.030 2 438 45 45 GLU HG3 H 2.368 0.030 2 439 45 45 GLU C C 178.402 0.300 1 440 45 45 GLU CA C 60.367 0.300 1 441 45 45 GLU CB C 28.993 0.300 1 442 45 45 GLU CG C 36.894 0.300 1 443 45 45 GLU N N 119.224 0.300 1 444 46 46 ALA H H 7.561 0.030 1 445 46 46 ALA HA H 4.300 0.030 1 446 46 46 ALA HB H 1.609 0.030 1 447 46 46 ALA C C 181.315 0.300 1 448 46 46 ALA CA C 54.963 0.300 1 449 46 46 ALA CB C 18.977 0.300 1 450 46 46 ALA N N 120.922 0.300 1 451 47 47 ILE H H 8.355 0.030 1 452 47 47 ILE HA H 3.465 0.030 1 453 47 47 ILE HB H 2.138 0.030 1 454 47 47 ILE HD1 H 0.779 0.030 1 455 47 47 ILE HG12 H 2.044 0.030 2 456 47 47 ILE HG13 H 0.775 0.030 2 457 47 47 ILE HG2 H 0.903 0.030 1 458 47 47 ILE C C 177.552 0.300 1 459 47 47 ILE CA C 66.759 0.300 1 460 47 47 ILE CB C 37.978 0.300 1 461 47 47 ILE CD1 C 14.341 0.300 1 462 47 47 ILE CG1 C 29.935 0.300 1 463 47 47 ILE CG2 C 17.102 0.300 1 464 47 47 ILE N N 121.421 0.300 1 465 48 48 ASN H H 8.846 0.030 1 466 48 48 ASN HA H 4.426 0.030 1 467 48 48 ASN HB2 H 3.209 0.030 2 468 48 48 ASN HB3 H 2.923 0.030 2 469 48 48 ASN HD21 H 7.826 0.030 2 470 48 48 ASN HD22 H 7.274 0.030 2 471 48 48 ASN C C 178.463 0.300 1 472 48 48 ASN CA C 55.685 0.300 1 473 48 48 ASN CB C 37.199 0.300 1 474 48 48 ASN N N 119.120 0.300 1 475 48 48 ASN ND2 N 111.028 0.300 1 476 49 49 ASP H H 7.883 0.030 1 477 49 49 ASP HA H 4.492 0.030 1 478 49 49 ASP HB2 H 2.800 0.030 2 479 49 49 ASP HB3 H 2.683 0.030 2 480 49 49 ASP C C 178.244 0.300 1 481 49 49 ASP CA C 57.271 0.300 1 482 49 49 ASP CB C 40.889 0.300 1 483 49 49 ASP N N 119.131 0.300 1 484 50 50 LEU H H 7.637 0.030 1 485 50 50 LEU HA H 4.195 0.030 1 486 50 50 LEU HB2 H 2.092 0.030 2 487 50 50 LEU HB3 H 1.454 0.030 2 488 50 50 LEU HD1 H 0.910 0.030 1 489 50 50 LEU HD2 H 0.941 0.030 1 490 50 50 LEU HG H 1.899 0.030 1 491 50 50 LEU C C 179.470 0.300 1 492 50 50 LEU CA C 57.779 0.300 1 493 50 50 LEU CB C 43.091 0.300 1 494 50 50 LEU CD1 C 26.557 0.300 2 495 50 50 LEU CD2 C 23.653 0.300 2 496 50 50 LEU CG C 26.646 0.300 1 497 50 50 LEU N N 120.869 0.300 1 498 51 51 VAL H H 8.437 0.030 1 499 51 51 VAL HA H 3.612 0.030 1 500 51 51 VAL HB H 2.270 0.030 1 501 51 51 VAL HG1 H 1.021 0.030 1 502 51 51 VAL HG2 H 1.179 0.030 1 503 51 51 VAL C C 178.001 0.300 1 504 51 51 VAL CA C 66.532 0.300 1 505 51 51 VAL CB C 32.202 0.300 1 506 51 51 VAL CG1 C 22.163 0.300 2 507 51 51 VAL CG2 C 24.192 0.300 2 508 51 51 VAL N N 116.964 0.300 1 509 52 52 LYS H H 7.263 0.030 1 510 52 52 LYS HA H 4.269 0.030 1 511 52 52 LYS HB2 H 1.990 0.030 1 512 52 52 LYS HB3 H 1.990 0.030 1 513 52 52 LYS HD2 H 1.745 0.030 1 514 52 52 LYS HD3 H 1.745 0.030 1 515 52 52 LYS HE2 H 3.046 0.030 1 516 52 52 LYS HE3 H 3.046 0.030 1 517 52 52 LYS HG2 H 1.711 0.030 2 518 52 52 LYS HG3 H 1.639 0.030 2 519 52 52 LYS C C 177.479 0.300 1 520 52 52 LYS CA C 58.166 0.300 1 521 52 52 LYS CB C 32.798 0.300 1 522 52 52 LYS CD C 29.629 0.300 1 523 52 52 LYS CE C 42.068 0.300 1 524 52 52 LYS CG C 25.263 0.300 1 525 52 52 LYS N N 115.189 0.300 1 526 53 53 LYS H H 7.678 0.030 1 527 53 53 LYS HA H 4.093 0.030 1 528 53 53 LYS HB2 H 1.711 0.030 2 529 53 53 LYS HB3 H 1.514 0.030 2 530 53 53 LYS HE2 H 2.963 0.030 1 531 53 53 LYS HE3 H 2.963 0.030 1 532 53 53 LYS HG2 H 1.572 0.030 2 533 53 53 LYS HG3 H 1.366 0.030 2 534 53 53 LYS C C 176.095 0.300 1 535 53 53 LYS CA C 57.498 0.300 1 536 53 53 LYS CB C 32.052 0.300 1 537 53 53 LYS CD C 29.629 0.300 1 538 53 53 LYS CE C 42.068 0.300 1 539 53 53 LYS CG C 25.028 0.300 1 540 53 53 LYS N N 117.043 0.300 1 541 54 54 TYR H H 7.633 0.030 1 542 54 54 TYR HA H 4.740 0.030 1 543 54 54 TYR HB2 H 3.098 0.030 2 544 54 54 TYR HB3 H 2.712 0.030 2 545 54 54 TYR HD1 H 7.276 0.030 1 546 54 54 TYR HD2 H 7.276 0.030 1 547 54 54 TYR HE1 H 6.783 0.030 1 548 54 54 TYR HE2 H 6.783 0.030 1 549 54 54 TYR C C 174.591 0.300 1 550 54 54 TYR CA C 57.146 0.300 1 551 54 54 TYR CB C 41.828 0.300 1 552 54 54 TYR CD1 C 133.911 0.300 1 553 54 54 TYR CD2 C 133.911 0.300 1 554 54 54 TYR CE1 C 118.159 0.300 1 555 54 54 TYR CE2 C 118.159 0.300 1 556 54 54 TYR N N 118.460 0.300 1 557 55 55 THR H H 8.849 0.030 1 558 55 55 THR HA H 4.290 0.030 1 559 55 55 THR HB H 4.010 0.030 1 560 55 55 THR HG2 H 1.310 0.030 1 561 55 55 THR C C 173.425 0.300 1 562 55 55 THR CA C 63.851 0.300 1 563 55 55 THR CB C 69.662 0.300 1 564 55 55 THR CG2 C 22.427 0.300 1 565 55 55 THR N N 118.761 0.300 1 566 56 56 LEU H H 9.019 0.030 1 567 56 56 LEU HA H 3.950 0.030 1 568 56 56 LEU HB2 H 1.815 0.030 2 569 56 56 LEU HB3 H 1.647 0.030 2 570 56 56 LEU HD1 H 0.901 0.030 1 571 56 56 LEU HD2 H 0.890 0.030 1 572 56 56 LEU HG H 1.633 0.030 1 573 56 56 LEU C C 175.039 0.300 1 574 56 56 LEU CA C 55.526 0.300 1 575 56 56 LEU CB C 40.496 0.300 1 576 56 56 LEU CD1 C 25.326 0.300 2 577 56 56 LEU CD2 C 23.533 0.300 2 578 56 56 LEU CG C 27.229 0.300 1 579 56 56 LEU N N 124.272 0.300 1 580 57 57 ALA H H 7.469 0.030 1 581 57 57 ALA HA H 5.367 0.030 1 582 57 57 ALA HB H 1.482 0.030 1 583 57 57 ALA C C 177.528 0.300 1 584 57 57 ALA CA C 51.250 0.300 1 585 57 57 ALA CB C 24.264 0.300 1 586 57 57 ALA N N 118.864 0.300 1 587 58 58 ARG H H 8.307 0.030 1 588 58 58 ARG HA H 4.508 0.030 1 589 58 58 ARG HB2 H 1.828 0.030 1 590 58 58 ARG HB3 H 1.828 0.030 1 591 58 58 ARG HD2 H 3.295 0.030 2 592 58 58 ARG HD3 H 3.150 0.030 2 593 58 58 ARG HE H 7.288 0.030 1 594 58 58 ARG HG2 H 1.631 0.030 1 595 58 58 ARG HG3 H 1.631 0.030 1 596 58 58 ARG C C 173.474 0.300 1 597 58 58 ARG CA C 55.939 0.300 1 598 58 58 ARG CB C 34.729 0.300 1 599 58 58 ARG CD C 43.880 0.300 1 600 58 58 ARG CG C 27.404 0.300 1 601 58 58 ARG N N 116.972 0.300 1 602 58 58 ARG NE N 84.910 0.300 1 603 59 59 ALA H H 8.300 0.030 1 604 59 59 ALA HA H 5.509 0.030 1 605 59 59 ALA HB H 1.243 0.030 1 606 59 59 ALA C C 175.161 0.300 1 607 59 59 ALA CA C 51.497 0.300 1 608 59 59 ALA CB C 23.172 0.300 1 609 59 59 ALA N N 121.553 0.300 1 610 60 60 PHE H H 8.990 0.030 1 611 60 60 PHE HA H 5.227 0.030 1 612 60 60 PHE HB2 H 3.423 0.030 2 613 60 60 PHE HB3 H 3.140 0.030 2 614 60 60 PHE HD1 H 7.065 0.030 1 615 60 60 PHE HD2 H 7.065 0.030 1 616 60 60 PHE HE1 H 7.014 0.030 1 617 60 60 PHE HE2 H 7.014 0.030 1 618 60 60 PHE HZ H 6.919 0.030 1 619 60 60 PHE C C 173.801 0.300 1 620 60 60 PHE CA C 56.283 0.300 1 621 60 60 PHE CB C 42.310 0.300 1 622 60 60 PHE CD1 C 132.341 0.300 1 623 60 60 PHE CD2 C 132.341 0.300 1 624 60 60 PHE CE1 C 131.058 0.300 1 625 60 60 PHE CE2 C 131.058 0.300 1 626 60 60 PHE CZ C 129.840 0.300 1 627 60 60 PHE N N 114.520 0.300 1 628 61 61 VAL H H 8.278 0.030 1 629 61 61 VAL HA H 5.242 0.030 1 630 61 61 VAL HB H 1.885 0.030 1 631 61 61 VAL HG1 H 0.778 0.030 1 632 61 61 VAL HG2 H 0.853 0.030 1 633 61 61 VAL C C 174.809 0.300 1 634 61 61 VAL CA C 58.922 0.300 1 635 61 61 VAL CB C 34.013 0.300 1 636 61 61 VAL CG1 C 22.752 0.300 2 637 61 61 VAL CG2 C 19.661 0.300 2 638 61 61 VAL N N 113.156 0.300 1 639 62 62 ARG H H 8.999 0.030 1 640 62 62 ARG HA H 5.081 0.030 1 641 62 62 ARG HB2 H 1.947 0.030 2 642 62 62 ARG HB3 H 1.819 0.030 2 643 62 62 ARG HD2 H 3.209 0.030 1 644 62 62 ARG HD3 H 3.209 0.030 1 645 62 62 ARG HG2 H 1.694 0.030 1 646 62 62 ARG HG3 H 1.694 0.030 1 647 62 62 ARG C C 174.238 0.300 1 648 62 62 ARG CA C 52.940 0.300 1 649 62 62 ARG CB C 33.202 0.300 1 650 62 62 ARG CD C 43.841 0.300 1 651 62 62 ARG CG C 27.194 0.300 1 652 62 62 ARG N N 120.929 0.300 1 653 63 63 PRO HA H 4.874 0.030 1 654 63 63 PRO HB2 H 2.279 0.030 1 655 63 63 PRO HB3 H 2.279 0.030 1 656 63 63 PRO HD2 H 4.067 0.030 2 657 63 63 PRO HD3 H 3.484 0.030 2 658 63 63 PRO HG2 H 2.311 0.030 2 659 63 63 PRO HG3 H 2.055 0.030 2 660 63 63 PRO C C 176.108 0.300 1 661 63 63 PRO CA C 62.795 0.300 1 662 63 63 PRO CB C 32.546 0.300 1 663 63 63 PRO CD C 51.129 0.300 1 664 63 63 PRO CG C 27.467 0.300 1 665 64 64 SER H H 8.421 0.030 1 666 64 64 SER HA H 4.570 0.030 1 667 64 64 SER HB2 H 4.452 0.030 2 668 64 64 SER HB3 H 3.963 0.030 2 669 64 64 SER C C 175.234 0.300 1 670 64 64 SER CA C 57.621 0.300 1 671 64 64 SER CB C 63.380 0.300 1 672 64 64 SER N N 116.535 0.300 1 673 65 65 GLY H H 8.836 0.030 1 674 65 65 GLY HA2 H 4.340 0.030 2 675 65 65 GLY HA3 H 3.987 0.030 2 676 65 65 GLY C C 175.683 0.300 1 677 65 65 GLY CA C 45.759 0.300 1 678 65 65 GLY N N 112.071 0.300 1 679 66 66 THR H H 8.389 0.030 1 680 66 66 THR HA H 4.518 0.030 1 681 66 66 THR HB H 4.337 0.030 1 682 66 66 THR HG2 H 1.170 0.030 1 683 66 66 THR C C 173.729 0.300 1 684 66 66 THR CA C 61.986 0.300 1 685 66 66 THR CB C 70.507 0.300 1 686 66 66 THR CG2 C 22.050 0.300 1 687 66 66 THR N N 109.328 0.300 1 688 67 67 GLU H H 7.954 0.030 1 689 67 67 GLU HA H 4.673 0.030 1 690 67 67 GLU HB2 H 2.103 0.030 2 691 67 67 GLU HB3 H 1.898 0.030 2 692 67 67 GLU HG2 H 2.229 0.030 1 693 67 67 GLU HG3 H 2.229 0.030 1 694 67 67 GLU C C 175.549 0.300 1 695 67 67 GLU CA C 54.735 0.300 1 696 67 67 GLU CB C 33.494 0.300 1 697 67 67 GLU CG C 35.972 0.300 1 698 67 67 GLU N N 120.394 0.300 1 699 68 68 ASP H H 8.845 0.030 1 700 68 68 ASP HA H 4.953 0.030 1 701 68 68 ASP HB2 H 3.069 0.030 2 702 68 68 ASP HB3 H 2.656 0.030 2 703 68 68 ASP C C 175.112 0.300 1 704 68 68 ASP CA C 54.805 0.300 1 705 68 68 ASP CB C 39.919 0.300 1 706 68 68 ASP N N 123.071 0.300 1 707 69 69 ILE H H 8.154 0.030 1 708 69 69 ILE HA H 5.045 0.030 1 709 69 69 ILE HB H 1.624 0.030 1 710 69 69 ILE HD1 H 0.824 0.030 1 711 69 69 ILE HG12 H 1.433 0.030 2 712 69 69 ILE HG13 H 1.096 0.030 2 713 69 69 ILE HG2 H 0.822 0.030 1 714 69 69 ILE C C 174.603 0.300 1 715 69 69 ILE CA C 58.448 0.300 1 716 69 69 ILE CB C 43.338 0.300 1 717 69 69 ILE CD1 C 13.400 0.300 1 718 69 69 ILE CG1 C 27.383 0.300 1 719 69 69 ILE CG2 C 18.590 0.300 1 720 69 69 ILE N N 119.799 0.300 1 721 70 70 VAL H H 9.254 0.030 1 722 70 70 VAL HA H 4.312 0.030 1 723 70 70 VAL HB H 1.816 0.030 1 724 70 70 VAL HG1 H 0.756 0.030 1 725 70 70 VAL HG2 H 0.843 0.030 1 726 70 70 VAL C C 174.688 0.300 1 727 70 70 VAL CA C 61.193 0.300 1 728 70 70 VAL CB C 34.528 0.300 1 729 70 70 VAL CG1 C 22.026 0.300 2 730 70 70 VAL CG2 C 22.656 0.300 2 731 70 70 VAL N N 123.435 0.300 1 732 71 71 ARG H H 8.434 0.030 1 733 71 71 ARG HA H 4.937 0.030 1 734 71 71 ARG HB2 H 1.922 0.030 2 735 71 71 ARG HB3 H 1.856 0.030 2 736 71 71 ARG HD2 H 3.277 0.030 2 737 71 71 ARG HD3 H 3.220 0.030 2 738 71 71 ARG HG2 H 1.691 0.030 2 739 71 71 ARG HG3 H 1.505 0.030 2 740 71 71 ARG C C 175.149 0.300 1 741 71 71 ARG CA C 55.738 0.300 1 742 71 71 ARG CB C 31.435 0.300 1 743 71 71 ARG CD C 43.502 0.300 1 744 71 71 ARG CG C 28.902 0.300 1 745 71 71 ARG N N 126.357 0.300 1 746 72 72 VAL H H 9.144 0.030 1 747 72 72 VAL HA H 4.423 0.030 1 748 72 72 VAL HB H 1.813 0.030 1 749 72 72 VAL HG1 H 0.869 0.030 1 750 72 72 VAL HG2 H 0.795 0.030 1 751 72 72 VAL C C 173.316 0.300 1 752 72 72 VAL CA C 61.588 0.300 1 753 72 72 VAL CB C 34.245 0.300 1 754 72 72 VAL CG1 C 20.897 0.300 2 755 72 72 VAL CG2 C 21.107 0.300 2 756 72 72 VAL N N 125.374 0.300 1 757 73 73 TYR H H 8.567 0.030 1 758 73 73 TYR HA H 5.040 0.030 1 759 73 73 TYR HB2 H 2.510 0.030 2 760 73 73 TYR HB3 H 2.106 0.030 2 761 73 73 TYR HD1 H 6.746 0.030 1 762 73 73 TYR HD2 H 6.746 0.030 1 763 73 73 TYR HE1 H 6.564 0.030 1 764 73 73 TYR HE2 H 6.564 0.030 1 765 73 73 TYR C C 173.353 0.300 1 766 73 73 TYR CA C 56.535 0.300 1 767 73 73 TYR CB C 41.806 0.300 1 768 73 73 TYR CD1 C 133.230 0.300 1 769 73 73 TYR CD2 C 133.230 0.300 1 770 73 73 TYR CE1 C 117.222 0.300 1 771 73 73 TYR CE2 C 117.222 0.300 1 772 73 73 TYR N N 127.987 0.300 1 773 74 74 ALA H H 8.143 0.030 1 774 74 74 ALA HA H 5.154 0.030 1 775 74 74 ALA HB H 1.185 0.030 1 776 74 74 ALA C C 174.275 0.300 1 777 74 74 ALA CA C 50.458 0.300 1 778 74 74 ALA CB C 23.537 0.300 1 779 74 74 ALA N N 126.574 0.300 1 780 75 75 GLU H H 8.768 0.030 1 781 75 75 GLU HA H 5.240 0.030 1 782 75 75 GLU HB2 H 2.064 0.030 2 783 75 75 GLU HB3 H 1.985 0.030 2 784 75 75 GLU HG2 H 2.441 0.030 2 785 75 75 GLU HG3 H 2.219 0.030 2 786 75 75 GLU C C 173.886 0.300 1 787 75 75 GLU CA C 53.661 0.300 1 788 75 75 GLU CB C 33.532 0.300 1 789 75 75 GLU CG C 35.807 0.300 1 790 75 75 GLU N N 117.311 0.300 1 791 76 76 ALA H H 8.247 0.030 1 792 76 76 ALA HA H 4.684 0.030 1 793 76 76 ALA HB H 1.443 0.030 1 794 76 76 ALA C C 174.639 0.300 1 795 76 76 ALA CA C 51.743 0.300 1 796 76 76 ALA CB C 20.726 0.300 1 797 76 76 ALA N N 118.735 0.300 1 798 77 77 ASN H H 7.893 0.030 1 799 77 77 ASN HA H 4.439 0.030 1 800 77 77 ASN HB2 H 3.060 0.030 2 801 77 77 ASN HB3 H 2.641 0.030 2 802 77 77 ASN HD21 H 7.831 0.030 2 803 77 77 ASN HD22 H 7.124 0.030 2 804 77 77 ASN C C 174.299 0.300 1 805 77 77 ASN CA C 55.034 0.300 1 806 77 77 ASN CB C 38.190 0.300 1 807 77 77 ASN N N 111.272 0.300 1 808 77 77 ASN ND2 N 113.574 0.300 1 809 78 78 SER H H 7.442 0.030 1 810 78 78 SER HA H 4.894 0.030 1 811 78 78 SER HB2 H 4.298 0.030 2 812 78 78 SER HB3 H 3.922 0.030 2 813 78 78 SER C C 173.801 0.300 1 814 78 78 SER CA C 55.685 0.300 1 815 78 78 SER CB C 66.980 0.300 1 816 78 78 SER N N 110.923 0.300 1 817 79 79 GLN H H 9.541 0.030 1 818 79 79 GLN HA H 3.726 0.030 1 819 79 79 GLN HB2 H 2.222 0.030 2 820 79 79 GLN HB3 H 2.119 0.030 2 821 79 79 GLN HE21 H 7.547 0.030 2 822 79 79 GLN HE22 H 6.841 0.030 2 823 79 79 GLN HG2 H 2.415 0.030 1 824 79 79 GLN HG3 H 2.415 0.030 1 825 79 79 GLN C C 177.091 0.300 1 826 79 79 GLN CA C 58.290 0.300 1 827 79 79 GLN CB C 29.079 0.300 1 828 79 79 GLN CG C 33.830 0.300 1 829 79 79 GLN N N 124.736 0.300 1 830 79 79 GLN NE2 N 113.028 0.300 1 831 80 80 GLU H H 8.986 0.030 1 832 80 80 GLU HA H 4.123 0.030 1 833 80 80 GLU HB2 H 2.149 0.030 2 834 80 80 GLU HB3 H 1.981 0.030 2 835 80 80 GLU HG2 H 2.386 0.030 1 836 80 80 GLU HG3 H 2.386 0.030 1 837 80 80 GLU C C 179.762 0.300 1 838 80 80 GLU CA C 60.067 0.300 1 839 80 80 GLU CB C 29.062 0.300 1 840 80 80 GLU CG C 36.466 0.300 1 841 80 80 GLU N N 117.959 0.300 1 842 81 81 SER H H 7.923 0.030 1 843 81 81 SER HA H 4.223 0.030 1 844 81 81 SER HB2 H 4.010 0.030 2 845 81 81 SER HB3 H 3.801 0.030 2 846 81 81 SER C C 174.202 0.300 1 847 81 81 SER CA C 62.079 0.300 1 848 81 81 SER CB C 63.359 0.300 1 849 81 81 SER N N 116.178 0.300 1 850 82 82 ALA H H 8.107 0.030 1 851 82 82 ALA HA H 3.441 0.030 1 852 82 82 ALA HB H 1.124 0.030 1 853 82 82 ALA C C 178.426 0.300 1 854 82 82 ALA CA C 55.791 0.300 1 855 82 82 ALA CB C 16.812 0.300 1 856 82 82 ALA N N 124.889 0.300 1 857 83 83 ASP H H 8.727 0.030 1 858 83 83 ASP HA H 4.019 0.030 1 859 83 83 ASP HB2 H 2.864 0.030 2 860 83 83 ASP HB3 H 2.592 0.030 2 861 83 83 ASP C C 179.410 0.300 1 862 83 83 ASP CA C 57.463 0.300 1 863 83 83 ASP CB C 40.002 0.300 1 864 83 83 ASP N N 117.303 0.300 1 865 84 84 ARG H H 7.791 0.030 1 866 84 84 ARG HA H 4.145 0.030 1 867 84 84 ARG HB2 H 2.048 0.030 2 868 84 84 ARG HB3 H 1.936 0.030 2 869 84 84 ARG HD2 H 3.337 0.030 1 870 84 84 ARG HD3 H 3.337 0.030 1 871 84 84 ARG HE H 7.403 0.030 1 872 84 84 ARG HG2 H 1.901 0.030 2 873 84 84 ARG HG3 H 1.843 0.030 2 874 84 84 ARG C C 177.722 0.300 1 875 84 84 ARG CA C 59.363 0.300 1 876 84 84 ARG CB C 29.956 0.300 1 877 84 84 ARG CD C 43.715 0.300 1 878 84 84 ARG CG C 27.517 0.300 1 879 84 84 ARG N N 122.150 0.300 1 880 84 84 ARG NE N 85.282 0.300 1 881 85 85 LEU H H 8.403 0.030 1 882 85 85 LEU HA H 4.103 0.030 1 883 85 85 LEU HB2 H 0.660 0.030 2 884 85 85 LEU HB3 H 1.394 0.030 2 885 85 85 LEU HD1 H 0.811 0.030 1 886 85 85 LEU HD2 H 0.721 0.030 1 887 85 85 LEU HG H 1.166 0.030 1 888 85 85 LEU C C 178.293 0.300 1 889 85 85 LEU CA C 57.639 0.300 1 890 85 85 LEU CB C 39.812 0.300 1 891 85 85 LEU CD1 C 22.599 0.300 2 892 85 85 LEU CD2 C 27.482 0.300 2 893 85 85 LEU CG C 26.909 0.300 1 894 85 85 LEU N N 121.041 0.300 1 895 86 86 ALA H H 8.306 0.030 1 896 86 86 ALA HA H 3.570 0.030 1 897 86 86 ALA HB H 1.253 0.030 1 898 86 86 ALA C C 180.029 0.300 1 899 86 86 ALA CA C 55.581 0.300 1 900 86 86 ALA CB C 17.472 0.300 1 901 86 86 ALA N N 118.889 0.300 1 902 87 87 TYR H H 7.784 0.030 1 903 87 87 TYR HA H 4.039 0.030 1 904 87 87 TYR HB2 H 3.254 0.030 1 905 87 87 TYR HB3 H 3.254 0.030 1 906 87 87 TYR HD1 H 6.946 0.030 1 907 87 87 TYR HD2 H 6.946 0.030 1 908 87 87 TYR HE1 H 6.603 0.030 1 909 87 87 TYR HE2 H 6.603 0.030 1 910 87 87 TYR C C 177.540 0.300 1 911 87 87 TYR CA C 60.895 0.300 1 912 87 87 TYR CB C 37.613 0.300 1 913 87 87 TYR CD1 C 133.175 0.300 1 914 87 87 TYR CD2 C 133.175 0.300 1 915 87 87 TYR CE1 C 117.750 0.300 1 916 87 87 TYR CE2 C 117.750 0.300 1 917 87 87 TYR N N 119.623 0.300 1 918 88 88 GLU H H 8.972 0.030 1 919 88 88 GLU HA H 3.495 0.030 1 920 88 88 GLU HB2 H 2.343 0.030 2 921 88 88 GLU HB3 H 2.081 0.030 2 922 88 88 GLU HG2 H 2.795 0.030 2 923 88 88 GLU HG3 H 2.190 0.030 2 924 88 88 GLU C C 180.405 0.300 1 925 88 88 GLU CA C 60.508 0.300 1 926 88 88 GLU CB C 30.231 0.300 1 927 88 88 GLU CG C 37.866 0.300 1 928 88 88 GLU N N 121.073 0.300 1 929 89 89 VAL H H 8.816 0.030 1 930 89 89 VAL HA H 3.473 0.030 1 931 89 89 VAL HB H 1.991 0.030 1 932 89 89 VAL HG1 H 0.742 0.030 1 933 89 89 VAL HG2 H 0.945 0.030 1 934 89 89 VAL C C 177.880 0.300 1 935 89 89 VAL CA C 66.667 0.300 1 936 89 89 VAL CB C 30.987 0.300 1 937 89 89 VAL CG1 C 23.368 0.300 2 938 89 89 VAL CG2 C 24.276 0.300 2 939 89 89 VAL N N 120.035 0.300 1 940 90 90 SER H H 8.502 0.030 1 941 90 90 SER HA H 3.922 0.030 1 942 90 90 SER HB2 H 3.925 0.030 2 943 90 90 SER HB3 H 3.777 0.030 2 944 90 90 SER C C 175.792 0.300 1 945 90 90 SER CA C 63.253 0.300 1 946 90 90 SER CB C 61.922 0.300 1 947 90 90 SER N N 118.901 0.300 1 948 91 91 LEU H H 7.797 0.030 1 949 91 91 LEU HA H 3.967 0.030 1 950 91 91 LEU HB2 H 1.554 0.030 2 951 91 91 LEU HB3 H 1.471 0.030 2 952 91 91 LEU HD1 H 0.706 0.030 1 953 91 91 LEU HD2 H 0.707 0.030 1 954 91 91 LEU HG H 1.298 0.030 1 955 91 91 LEU C C 179.301 0.300 1 956 91 91 LEU CA C 57.938 0.300 1 957 91 91 LEU CB C 41.525 0.300 1 958 91 91 LEU CD1 C 24.408 0.300 2 959 91 91 LEU CD2 C 22.968 0.300 2 960 91 91 LEU CG C 26.233 0.300 1 961 91 91 LEU N N 122.703 0.300 1 962 92 92 LEU H H 7.275 0.030 1 963 92 92 LEU HA H 4.140 0.030 1 964 92 92 LEU HB2 H 2.117 0.030 2 965 92 92 LEU HB3 H 1.392 0.030 2 966 92 92 LEU HD1 H 0.893 0.030 1 967 92 92 LEU HD2 H 0.909 0.030 1 968 92 92 LEU HG H 1.825 0.030 1 969 92 92 LEU C C 179.288 0.300 1 970 92 92 LEU CA C 57.814 0.300 1 971 92 92 LEU CB C 42.556 0.300 1 972 92 92 LEU CD1 C 27.194 0.300 2 973 92 92 LEU CD2 C 23.368 0.300 2 974 92 92 LEU CG C 26.370 0.300 1 975 92 92 LEU N N 119.551 0.300 1 976 93 93 VAL H H 8.094 0.030 1 977 93 93 VAL HA H 3.293 0.030 1 978 93 93 VAL HB H 2.223 0.030 1 979 93 93 VAL HG1 H 0.680 0.030 1 980 93 93 VAL HG2 H 0.936 0.030 1 981 93 93 VAL C C 177.322 0.300 1 982 93 93 VAL CA C 66.826 0.300 1 983 93 93 VAL CB C 31.492 0.300 1 984 93 93 VAL CG1 C 21.636 0.300 2 985 93 93 VAL CG2 C 24.089 0.300 2 986 93 93 VAL N N 118.402 0.300 1 987 94 94 PHE H H 8.521 0.030 1 988 94 94 PHE HA H 3.650 0.030 1 989 94 94 PHE HB2 H 3.361 0.030 2 990 94 94 PHE HB3 H 3.076 0.030 2 991 94 94 PHE HD1 H 7.188 0.030 1 992 94 94 PHE HD2 H 7.188 0.030 1 993 94 94 PHE HE1 H 7.210 0.030 1 994 94 94 PHE HE2 H 7.210 0.030 1 995 94 94 PHE C C 177.601 0.300 1 996 94 94 PHE CA C 62.109 0.300 1 997 94 94 PHE CB C 40.020 0.300 1 998 94 94 PHE CD1 C 131.504 0.300 1 999 94 94 PHE CD2 C 131.504 0.300 1 1000 94 94 PHE CE1 C 130.943 0.300 1 1001 94 94 PHE CE2 C 130.943 0.300 1 1002 94 94 PHE N N 118.985 0.300 1 1003 95 95 GLN H H 8.458 0.030 1 1004 95 95 GLN HA H 4.192 0.030 1 1005 95 95 GLN HB2 H 2.366 0.030 2 1006 95 95 GLN HB3 H 2.164 0.030 2 1007 95 95 GLN HG2 H 2.709 0.030 2 1008 95 95 GLN HG3 H 2.517 0.030 2 1009 95 95 GLN C C 178.608 0.300 1 1010 95 95 GLN CA C 58.625 0.300 1 1011 95 95 GLN CB C 29.773 0.300 1 1012 95 95 GLN CG C 34.242 0.300 1 1013 95 95 GLN N N 115.697 0.300 1 1014 96 96 LEU H H 8.654 0.030 1 1015 96 96 LEU HA H 4.573 0.030 1 1016 96 96 LEU HB2 H 1.799 0.030 2 1017 96 96 LEU HB3 H 1.444 0.030 2 1018 96 96 LEU HD1 H 0.862 0.030 1 1019 96 96 LEU HD2 H 0.905 0.030 1 1020 96 96 LEU HG H 1.861 0.030 1 1021 96 96 LEU C C 177.880 0.300 1 1022 96 96 LEU CA C 55.985 0.300 1 1023 96 96 LEU CB C 43.305 0.300 1 1024 96 96 LEU CD1 C 25.189 0.300 2 1025 96 96 LEU CD2 C 22.680 0.300 2 1026 96 96 LEU CG C 27.458 0.300 1 1027 96 96 LEU N N 116.123 0.300 1 1028 97 97 ALA H H 8.354 0.030 1 1029 97 97 ALA HA H 4.751 0.030 1 1030 97 97 ALA HB H 1.329 0.030 1 1031 97 97 ALA C C 176.532 0.300 1 1032 97 97 ALA CA C 50.282 0.300 1 1033 97 97 ALA CB C 19.188 0.300 1 1034 97 97 ALA N N 120.739 0.300 1 1035 98 98 GLY H H 8.120 0.030 1 1036 98 98 GLY HA2 H 3.763 0.030 1 1037 98 98 GLY HA3 H 3.763 0.030 1 1038 98 98 GLY C C 175.003 0.300 1 1039 98 98 GLY CA C 47.571 0.300 1 1040 98 98 GLY N N 107.155 0.300 1 1041 99 99 GLY H H 7.885 0.030 1 1042 99 99 GLY HA2 H 4.067 0.030 2 1043 99 99 GLY HA3 H 2.564 0.030 2 1044 99 99 GLY C C 173.012 0.300 1 1045 99 99 GLY CA C 45.868 0.300 1 1046 99 99 GLY N N 106.211 0.300 1 1047 100 100 ILE H H 7.734 0.030 1 1048 100 100 ILE HA H 4.560 0.030 1 1049 100 100 ILE HB H 1.775 0.030 1 1050 100 100 ILE HD1 H 0.800 0.030 1 1051 100 100 ILE HG12 H 1.230 0.030 2 1052 100 100 ILE HG13 H 0.747 0.030 2 1053 100 100 ILE HG2 H 0.870 0.030 1 1054 100 100 ILE C C 175.246 0.300 1 1055 100 100 ILE CA C 59.368 0.300 1 1056 100 100 ILE CB C 41.783 0.300 1 1057 100 100 ILE CD1 C 13.642 0.300 1 1058 100 100 ILE CG1 C 26.197 0.300 1 1059 100 100 ILE CG2 C 17.849 0.300 1 1060 100 100 ILE N N 119.388 0.300 1 1061 101 101 GLY H H 8.526 0.030 1 1062 101 101 GLY HA2 H 4.213 0.030 2 1063 101 101 GLY HA3 H 3.831 0.030 2 1064 101 101 GLY C C 173.862 0.300 1 1065 101 101 GLY CA C 44.735 0.300 1 1066 101 101 GLY N N 110.103 0.300 1 1067 102 102 GLU H H 8.356 0.030 1 1068 102 102 GLU HA H 4.233 0.030 1 1069 102 102 GLU HB2 H 2.015 0.030 2 1070 102 102 GLU HB3 H 1.939 0.030 2 1071 102 102 GLU HG2 H 2.355 0.030 1 1072 102 102 GLU HG3 H 2.355 0.030 1 1073 102 102 GLU C C 176.411 0.300 1 1074 102 102 GLU CA C 56.284 0.300 1 1075 102 102 GLU CB C 30.437 0.300 1 1076 102 102 GLU CG C 36.219 0.300 1 1077 102 102 GLU N N 121.104 0.300 1 1078 103 103 ARG H H 8.370 0.030 1 1079 103 103 ARG HA H 3.263 0.030 1 1080 103 103 ARG HB2 H 1.415 0.030 1 1081 103 103 ARG HB3 H 1.415 0.030 1 1082 103 103 ARG HD2 H 3.082 0.030 2 1083 103 103 ARG HD3 H 3.033 0.030 2 1084 103 103 ARG HG2 H 1.246 0.030 1 1085 103 103 ARG HG3 H 1.246 0.030 1 1086 103 103 ARG C C 174.287 0.300 1 1087 103 103 ARG CA C 54.418 0.300 1 1088 103 103 ARG CB C 29.723 0.300 1 1089 103 103 ARG CD C 43.603 0.300 1 1090 103 103 ARG CG C 26.953 0.300 1 1091 103 103 ARG N N 124.617 0.300 1 1092 104 104 PRO HA H 4.390 0.030 1 1093 104 104 PRO HB2 H 2.457 0.030 2 1094 104 104 PRO HB3 H 1.773 0.030 2 1095 104 104 PRO HD2 H 3.335 0.030 2 1096 104 104 PRO HD3 H 2.906 0.030 2 1097 104 104 PRO HG2 H 1.998 0.030 2 1098 104 104 PRO HG3 H 1.770 0.030 2 1099 104 104 PRO C C 175.185 0.300 1 1100 104 104 PRO CA C 63.253 0.300 1 1101 104 104 PRO CB C 32.404 0.300 1 1102 104 104 PRO CD C 50.361 0.300 1 1103 104 104 PRO CG C 27.504 0.300 1 1104 105 105 GLN H H 8.472 0.030 1 1105 105 105 GLN HA H 4.715 0.030 1 1106 105 105 GLN HB2 H 2.125 0.030 2 1107 105 105 GLN HB3 H 1.809 0.030 2 1108 105 105 GLN HE21 H 7.560 0.030 2 1109 105 105 GLN HE22 H 6.889 0.030 2 1110 105 105 GLN HG2 H 2.428 0.030 1 1111 105 105 GLN HG3 H 2.428 0.030 1 1112 105 105 GLN C C 173.898 0.300 1 1113 105 105 GLN CA C 52.834 0.300 1 1114 105 105 GLN CB C 30.053 0.300 1 1115 105 105 GLN CG C 33.290 0.300 1 1116 105 105 GLN N N 121.189 0.300 1 1117 105 105 GLN NE2 N 112.562 0.300 1 1118 106 106 PRO HA H 3.685 0.030 1 1119 106 106 PRO HB2 H 1.704 0.030 2 1120 106 106 PRO HB3 H 1.620 0.030 2 1121 106 106 PRO HD2 H 3.573 0.030 2 1122 106 106 PRO HD3 H 3.447 0.030 2 1123 106 106 PRO HG2 H 1.850 0.030 2 1124 106 106 PRO HG3 H 1.527 0.030 2 1125 106 106 PRO CA C 63.102 0.300 1 1126 106 106 PRO CB C 31.493 0.300 1 1127 106 106 PRO CD C 50.119 0.300 1 1128 106 106 PRO CG C 26.785 0.300 1 1129 107 107 SER H H 8.041 0.030 1 1130 107 107 SER N N 115.060 0.300 1 stop_ save_