data_10082 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of RRM domain in calcipressin 1 ; _BMRB_accession_number 10082 _BMRB_flat_file_name bmr10082.str _Entry_type original _Submission_date 2007-01-23 _Accession_date 2007-01-24 _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada 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" 580 "13C chemical shifts" 448 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-14 original author . stop_ _Original_release_date 2008-08-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of RRM domain in calcipressin 1' _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Terada 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 'calcipressin 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'calcipressin 1' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RRM domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; GSSGSSGLIACVANDDVFSE SETRAKFESLFRTYDKDTTF QYFKSFKRVRINFSNPLSAA DARLRLHKTEFLGKEMKLYF AQTLHIGSSHLAPPNPDKSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 ILE 10 ALA 11 CYS 12 VAL 13 ALA 14 ASN 15 ASP 16 ASP 17 VAL 18 PHE 19 SER 20 GLU 21 SER 22 GLU 23 THR 24 ARG 25 ALA 26 LYS 27 PHE 28 GLU 29 SER 30 LEU 31 PHE 32 ARG 33 THR 34 TYR 35 ASP 36 LYS 37 ASP 38 THR 39 THR 40 PHE 41 GLN 42 TYR 43 PHE 44 LYS 45 SER 46 PHE 47 LYS 48 ARG 49 VAL 50 ARG 51 ILE 52 ASN 53 PHE 54 SER 55 ASN 56 PRO 57 LEU 58 SER 59 ALA 60 ALA 61 ASP 62 ALA 63 ARG 64 LEU 65 ARG 66 LEU 67 HIS 68 LYS 69 THR 70 GLU 71 PHE 72 LEU 73 GLY 74 LYS 75 GLU 76 MET 77 LYS 78 LEU 79 TYR 80 PHE 81 ALA 82 GLN 83 THR 84 LEU 85 HIS 86 ILE 87 GLY 88 SER 89 SER 90 HIS 91 LEU 92 ALA 93 PRO 94 PRO 95 ASN 96 PRO 97 ASP 98 LYS 99 SER 100 GLY 101 PRO 102 SER 103 SER 104 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 1WEY "Solution Structure Of Rrm Domain In Calcipressin 1" 100.00 104 100.00 100.00 7.57e-69 DBJ BAC36729 "unnamed protein product [Mus musculus]" 89.42 198 98.92 98.92 4.13e-59 GB AAF63486 "myocyte-enriched calcineurin interactin protein 1 splice variant 4 [Mus musculus]" 89.42 198 98.92 98.92 3.99e-59 GB AAF72701 "calcineurin inhibitor [Mus musculus]" 89.42 198 98.92 98.92 3.11e-59 GB AAH13551 "Regulator of calcineurin 1 [Mus musculus]" 89.42 198 98.92 98.92 4.13e-59 GB EDL03783 "Down syndrome critical region homolog 1 (human), isoform CRA_c [Mus musculus]" 89.42 198 98.92 98.92 4.13e-59 REF NP_062339 "calcipressin-1 isoform 2 [Mus musculus]" 89.42 198 98.92 98.92 4.13e-59 REF XP_012971691 "PREDICTED: calcipressin-1 isoform X1 [Mesocricetus auratus]" 71.15 213 97.30 98.65 1.07e-43 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 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_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P040113-35 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 $entity_1 0.8 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.863 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.29 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_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 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_ _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 'calcipressin 1' _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 C C 173.895 0.300 1 2 3 3 SER CA C 58.635 0.300 1 3 3 3 SER CB C 64.283 0.300 1 4 4 4 GLY H H 8.033 0.030 1 5 4 4 GLY C C 178.993 0.300 1 6 4 4 GLY CA C 46.174 0.300 1 7 4 4 GLY N N 116.705 0.300 1 8 6 6 SER HA H 4.491 0.030 1 9 6 6 SER HB2 H 3.829 0.030 2 10 6 6 SER HB3 H 3.669 0.030 2 11 6 6 SER C C 172.682 0.300 1 12 6 6 SER CA C 58.055 0.300 1 13 6 6 SER CB C 63.982 0.300 1 14 7 7 GLY H H 8.290 0.030 1 15 7 7 GLY HA2 H 5.518 0.030 2 16 7 7 GLY HA3 H 3.614 0.030 2 17 7 7 GLY C C 173.108 0.300 1 18 7 7 GLY CA C 45.120 0.300 1 19 7 7 GLY N N 108.944 0.300 1 20 8 8 LEU H H 9.358 0.030 1 21 8 8 LEU HA H 5.298 0.030 1 22 8 8 LEU HB2 H 1.642 0.030 2 23 8 8 LEU HB3 H 1.269 0.030 2 24 8 8 LEU HG H 1.618 0.030 1 25 8 8 LEU HD1 H 0.838 0.030 1 26 8 8 LEU HD2 H 0.433 0.030 1 27 8 8 LEU C C 175.639 0.300 1 28 8 8 LEU CA C 52.658 0.300 1 29 8 8 LEU CB C 46.636 0.300 1 30 8 8 LEU CG C 27.040 0.300 1 31 8 8 LEU CD1 C 26.565 0.300 2 32 8 8 LEU CD2 C 23.358 0.300 2 33 8 8 LEU N N 120.032 0.300 1 34 9 9 ILE H H 9.440 0.030 1 35 9 9 ILE HA H 4.915 0.030 1 36 9 9 ILE HB H 1.692 0.030 1 37 9 9 ILE HG12 H 1.169 0.030 2 38 9 9 ILE HG13 H 1.400 0.030 2 39 9 9 ILE HG2 H 0.841 0.030 1 40 9 9 ILE HD1 H 0.775 0.030 1 41 9 9 ILE C C 174.613 0.300 1 42 9 9 ILE CA C 58.586 0.300 1 43 9 9 ILE CB C 39.107 0.300 1 44 9 9 ILE CG1 C 27.248 0.300 1 45 9 9 ILE CG2 C 17.864 0.300 1 46 9 9 ILE CD1 C 11.422 0.300 1 47 9 9 ILE N N 121.011 0.300 1 48 10 10 ALA H H 9.718 0.030 1 49 10 10 ALA HA H 5.603 0.030 1 50 10 10 ALA HB H 1.421 0.030 1 51 10 10 ALA C C 177.032 0.300 1 52 10 10 ALA CA C 49.797 0.300 1 53 10 10 ALA CB C 21.884 0.300 1 54 10 10 ALA N N 128.142 0.300 1 55 11 11 CYS H H 9.341 0.030 1 56 11 11 CYS HA H 5.085 0.030 1 57 11 11 CYS HB2 H 3.294 0.030 2 58 11 11 CYS HB3 H 3.170 0.030 2 59 11 11 CYS C C 174.900 0.300 1 60 11 11 CYS CA C 58.540 0.300 1 61 11 11 CYS CB C 27.964 0.300 1 62 11 11 CYS N N 123.258 0.300 1 63 12 12 VAL H H 7.881 0.030 1 64 12 12 VAL HA H 4.754 0.030 1 65 12 12 VAL HB H 2.040 0.030 1 66 12 12 VAL HG1 H 0.908 0.030 1 67 12 12 VAL HG2 H 0.890 0.030 1 68 12 12 VAL C C 173.887 0.300 1 69 12 12 VAL CA C 60.547 0.300 1 70 12 12 VAL CB C 35.069 0.300 1 71 12 12 VAL CG1 C 21.323 0.300 2 72 12 12 VAL CG2 C 21.586 0.300 2 73 12 12 VAL N N 123.915 0.300 1 74 13 13 ALA H H 9.225 0.030 1 75 13 13 ALA HA H 4.521 0.030 1 76 13 13 ALA HB H 1.515 0.030 1 77 13 13 ALA C C 177.685 0.300 1 78 13 13 ALA CA C 52.245 0.300 1 79 13 13 ALA CB C 19.606 0.300 1 80 13 13 ALA N N 127.024 0.300 1 81 14 14 ASN H H 7.780 0.030 1 82 14 14 ASN HA H 4.674 0.030 1 83 14 14 ASN HB2 H 2.766 0.030 1 84 14 14 ASN HB3 H 2.766 0.030 1 85 14 14 ASN HD21 H 7.070 0.030 2 86 14 14 ASN HD22 H 7.862 0.030 2 87 14 14 ASN C C 174.587 0.300 1 88 14 14 ASN CA C 53.583 0.300 1 89 14 14 ASN CB C 38.383 0.300 1 90 14 14 ASN N N 116.247 0.300 1 91 14 14 ASN ND2 N 113.468 0.300 1 92 15 15 ASP H H 8.828 0.030 1 93 15 15 ASP HA H 4.598 0.030 1 94 15 15 ASP HB2 H 2.743 0.030 2 95 15 15 ASP HB3 H 2.623 0.030 2 96 15 15 ASP C C 178.676 0.300 1 97 15 15 ASP CA C 57.994 0.300 1 98 15 15 ASP CB C 41.298 0.300 1 99 15 15 ASP N N 125.920 0.300 1 100 16 16 ASP H H 8.870 0.030 1 101 16 16 ASP HA H 4.514 0.030 1 102 16 16 ASP HB2 H 2.709 0.030 1 103 16 16 ASP HB3 H 2.709 0.030 1 104 16 16 ASP C C 177.978 0.300 1 105 16 16 ASP CA C 56.374 0.300 1 106 16 16 ASP CB C 39.324 0.300 1 107 16 16 ASP N N 117.770 0.300 1 108 17 17 VAL H H 7.469 0.030 1 109 17 17 VAL HA H 3.150 0.030 1 110 17 17 VAL HB H 1.541 0.030 1 111 17 17 VAL HG1 H 0.504 0.030 1 112 17 17 VAL HG2 H -0.130 0.030 1 113 17 17 VAL C C 174.060 0.300 1 114 17 17 VAL CA C 65.441 0.300 1 115 17 17 VAL CB C 31.359 0.300 1 116 17 17 VAL CG1 C 24.104 0.300 2 117 17 17 VAL CG2 C 20.811 0.300 2 118 17 17 VAL N N 118.207 0.300 1 119 18 18 PHE H H 7.194 0.030 1 120 18 18 PHE HA H 3.823 0.030 1 121 18 18 PHE HB2 H 3.341 0.030 2 122 18 18 PHE HB3 H 3.008 0.030 2 123 18 18 PHE HD1 H 7.420 0.030 1 124 18 18 PHE HD2 H 7.420 0.030 1 125 18 18 PHE HE1 H 7.355 0.030 1 126 18 18 PHE HE2 H 7.355 0.030 1 127 18 18 PHE HZ H 6.866 0.030 1 128 18 18 PHE C C 175.823 0.300 1 129 18 18 PHE CA C 59.461 0.300 1 130 18 18 PHE CB C 38.122 0.300 1 131 18 18 PHE CD1 C 131.951 0.300 1 132 18 18 PHE CD2 C 131.951 0.300 1 133 18 18 PHE CE1 C 131.735 0.300 1 134 18 18 PHE CE2 C 131.735 0.300 1 135 18 18 PHE CZ C 129.276 0.300 1 136 18 18 PHE N N 113.323 0.300 1 137 19 19 SER H H 7.394 0.030 1 138 19 19 SER HA H 4.516 0.030 1 139 19 19 SER HB2 H 3.757 0.030 1 140 19 19 SER HB3 H 3.757 0.030 1 141 19 19 SER CA C 57.354 0.300 1 142 19 19 SER CB C 65.739 0.300 1 143 19 19 SER N N 114.426 0.300 1 144 20 20 GLU H H 8.356 0.030 1 145 20 20 GLU HG2 H 2.237 0.030 1 146 20 20 GLU HG3 H 2.237 0.030 1 147 20 20 GLU C C 178.989 0.300 1 148 20 20 GLU CA C 59.439 0.300 1 149 20 20 GLU CB C 29.068 0.300 1 150 20 20 GLU CG C 36.076 0.300 1 151 21 21 SER HA H 4.349 0.030 1 152 21 21 SER HB2 H 3.796 0.030 2 153 21 21 SER HB3 H 3.705 0.030 2 154 21 21 SER CA C 58.918 0.300 1 155 21 21 SER CB C 63.607 0.300 1 156 22 22 GLU HA H 4.201 0.030 1 157 22 22 GLU HB2 H 2.119 0.030 2 158 22 22 GLU HB3 H 2.051 0.030 2 159 22 22 GLU HG2 H 2.375 0.030 2 160 22 22 GLU HG3 H 2.292 0.030 2 161 22 22 GLU C C 178.989 0.300 1 162 22 22 GLU CA C 59.263 0.300 1 163 22 22 GLU CB C 29.229 0.300 1 164 22 22 GLU CG C 36.471 0.300 1 165 23 23 THR H H 7.768 0.030 1 166 23 23 THR HA H 3.855 0.030 1 167 23 23 THR HB H 3.868 0.030 1 168 23 23 THR HG2 H 1.201 0.030 1 169 23 23 THR C C 175.884 0.300 1 170 23 23 THR CA C 67.344 0.300 1 171 23 23 THR CB C 67.678 0.300 1 172 23 23 THR CG2 C 22.688 0.300 1 173 23 23 THR N N 117.040 0.300 1 174 24 24 ARG H H 8.116 0.030 1 175 24 24 ARG HA H 3.804 0.030 1 176 24 24 ARG HB2 H 2.146 0.030 2 177 24 24 ARG HB3 H 1.836 0.030 2 178 24 24 ARG HG2 H 1.602 0.030 2 179 24 24 ARG HG3 H 1.383 0.030 2 180 24 24 ARG HD2 H 2.878 0.030 2 181 24 24 ARG HD3 H 2.701 0.030 2 182 24 24 ARG C C 177.372 0.300 1 183 24 24 ARG CA C 60.787 0.300 1 184 24 24 ARG CB C 29.558 0.300 1 185 24 24 ARG CG C 26.885 0.300 1 186 24 24 ARG CD C 43.790 0.300 1 187 24 24 ARG N N 123.425 0.300 1 188 25 25 ALA H H 7.730 0.030 1 189 25 25 ALA HA H 4.097 0.030 1 190 25 25 ALA HB H 1.533 0.030 1 191 25 25 ALA C C 181.183 0.300 1 192 25 25 ALA CA C 55.493 0.300 1 193 25 25 ALA CB C 17.633 0.300 1 194 25 25 ALA N N 120.495 0.300 1 195 26 26 LYS H H 8.078 0.030 1 196 26 26 LYS HA H 4.105 0.030 1 197 26 26 LYS HB2 H 2.253 0.030 2 198 26 26 LYS HB3 H 2.188 0.030 2 199 26 26 LYS HG2 H 1.808 0.030 2 200 26 26 LYS HG3 H 1.600 0.030 2 201 26 26 LYS HD2 H 1.761 0.030 2 202 26 26 LYS HD3 H 1.682 0.030 2 203 26 26 LYS HE2 H 2.961 0.030 1 204 26 26 LYS HE3 H 2.961 0.030 1 205 26 26 LYS C C 179.058 0.300 1 206 26 26 LYS CA C 59.655 0.300 1 207 26 26 LYS CB C 32.781 0.300 1 208 26 26 LYS CG C 25.699 0.300 1 209 26 26 LYS CD C 29.772 0.300 1 210 26 26 LYS CE C 42.276 0.300 1 211 26 26 LYS N N 119.823 0.300 1 212 27 27 PHE H H 8.350 0.030 1 213 27 27 PHE HA H 3.699 0.030 1 214 27 27 PHE HB2 H 3.305 0.030 2 215 27 27 PHE HB3 H 2.894 0.030 2 216 27 27 PHE HD1 H 6.638 0.030 1 217 27 27 PHE HD2 H 6.638 0.030 1 218 27 27 PHE HE1 H 7.136 0.030 1 219 27 27 PHE HE2 H 7.136 0.030 1 220 27 27 PHE HZ H 6.737 0.030 1 221 27 27 PHE C C 176.186 0.300 1 222 27 27 PHE CA C 61.185 0.300 1 223 27 27 PHE CB C 39.160 0.300 1 224 27 27 PHE CD1 C 132.016 0.300 1 225 27 27 PHE CD2 C 132.016 0.300 1 226 27 27 PHE CE1 C 131.127 0.300 1 227 27 27 PHE CE2 C 131.127 0.300 1 228 27 27 PHE CZ C 128.715 0.300 1 229 27 27 PHE N N 122.465 0.300 1 230 28 28 GLU H H 8.683 0.030 1 231 28 28 GLU HA H 3.478 0.030 1 232 28 28 GLU HB2 H 1.735 0.030 2 233 28 28 GLU HB3 H 1.429 0.030 2 234 28 28 GLU HG2 H 2.383 0.030 2 235 28 28 GLU HG3 H 0.177 0.030 2 236 28 28 GLU C C 180.510 0.300 1 237 28 28 GLU CA C 59.369 0.300 1 238 28 28 GLU CB C 28.826 0.300 1 239 28 28 GLU CG C 35.176 0.300 1 240 28 28 GLU N N 116.565 0.300 1 241 29 29 SER H H 8.087 0.030 1 242 29 29 SER HA H 4.139 0.030 1 243 29 29 SER HB2 H 4.003 0.030 1 244 29 29 SER HB3 H 4.003 0.030 1 245 29 29 SER C C 176.299 0.300 1 246 29 29 SER CA C 61.912 0.300 1 247 29 29 SER CB C 62.950 0.300 1 248 29 29 SER N N 114.094 0.300 1 249 30 30 LEU H H 7.389 0.030 1 250 30 30 LEU HA H 3.970 0.030 1 251 30 30 LEU HB2 H 1.395 0.030 2 252 30 30 LEU HB3 H 1.030 0.030 2 253 30 30 LEU HG H 1.628 0.030 1 254 30 30 LEU HD1 H 0.662 0.030 1 255 30 30 LEU HD2 H 0.753 0.030 1 256 30 30 LEU C C 178.152 0.300 1 257 30 30 LEU CA C 57.480 0.300 1 258 30 30 LEU CB C 41.504 0.300 1 259 30 30 LEU CG C 25.957 0.300 1 260 30 30 LEU CD1 C 24.846 0.300 2 261 30 30 LEU CD2 C 22.942 0.300 2 262 30 30 LEU N N 120.970 0.300 1 263 31 31 PHE H H 7.070 0.030 1 264 31 31 PHE HA H 4.374 0.030 1 265 31 31 PHE HB2 H 3.124 0.030 2 266 31 31 PHE HB3 H 3.043 0.030 2 267 31 31 PHE HD1 H 7.152 0.030 1 268 31 31 PHE HD2 H 7.152 0.030 1 269 31 31 PHE HE1 H 6.427 0.030 1 270 31 31 PHE HE2 H 6.427 0.030 1 271 31 31 PHE HZ H 6.892 0.030 1 272 31 31 PHE C C 178.724 0.300 1 273 31 31 PHE CA C 60.105 0.300 1 274 31 31 PHE CB C 40.401 0.300 1 275 31 31 PHE CD1 C 131.760 0.300 1 276 31 31 PHE CD2 C 131.760 0.300 1 277 31 31 PHE CE1 C 131.936 0.300 1 278 31 31 PHE CE2 C 131.936 0.300 1 279 31 31 PHE CZ C 129.038 0.300 1 280 31 31 PHE N N 113.182 0.300 1 281 32 32 ARG H H 8.646 0.030 1 282 32 32 ARG HA H 4.391 0.030 1 283 32 32 ARG HB2 H 1.910 0.030 2 284 32 32 ARG HB3 H 1.820 0.030 2 285 32 32 ARG HG2 H 1.976 0.030 2 286 32 32 ARG HG3 H 1.739 0.030 2 287 32 32 ARG HD2 H 3.347 0.030 2 288 32 32 ARG HD3 H 3.288 0.030 2 289 32 32 ARG C C 177.538 0.300 1 290 32 32 ARG CA C 58.386 0.300 1 291 32 32 ARG CB C 30.062 0.300 1 292 32 32 ARG CG C 28.953 0.300 1 293 32 32 ARG CD C 43.631 0.300 1 294 32 32 ARG N N 120.369 0.300 1 295 33 33 THR H H 7.374 0.030 1 296 33 33 THR HA H 3.788 0.030 1 297 33 33 THR HB H 3.776 0.030 1 298 33 33 THR HG2 H 0.834 0.030 1 299 33 33 THR C C 174.538 0.300 1 300 33 33 THR CA C 65.624 0.300 1 301 33 33 THR CB C 69.467 0.300 1 302 33 33 THR CG2 C 21.039 0.300 1 303 33 33 THR N N 111.914 0.300 1 304 34 34 TYR H H 7.152 0.030 1 305 34 34 TYR HA H 4.343 0.030 1 306 34 34 TYR HB2 H 3.279 0.030 2 307 34 34 TYR HB3 H 2.987 0.030 2 308 34 34 TYR HD1 H 7.222 0.030 1 309 34 34 TYR HD2 H 7.222 0.030 1 310 34 34 TYR HE1 H 6.711 0.030 1 311 34 34 TYR HE2 H 6.711 0.030 1 312 34 34 TYR C C 175.773 0.300 1 313 34 34 TYR CA C 59.967 0.300 1 314 34 34 TYR CB C 39.823 0.300 1 315 34 34 TYR CD1 C 133.090 0.300 1 316 34 34 TYR CD2 C 133.090 0.300 1 317 34 34 TYR CE1 C 118.194 0.300 1 318 34 34 TYR CE2 C 118.194 0.300 1 319 34 34 TYR N N 117.528 0.300 1 320 35 35 ASP H H 7.497 0.030 1 321 35 35 ASP HA H 4.786 0.030 1 322 35 35 ASP HB2 H 2.972 0.030 1 323 35 35 ASP HB3 H 2.972 0.030 1 324 35 35 ASP C C 175.813 0.300 1 325 35 35 ASP CA C 54.112 0.300 1 326 35 35 ASP CB C 42.247 0.300 1 327 35 35 ASP N N 118.003 0.300 1 328 36 36 LYS H H 9.082 0.030 1 329 36 36 LYS HA H 4.270 0.030 1 330 36 36 LYS HB2 H 1.925 0.030 1 331 36 36 LYS HB3 H 1.925 0.030 1 332 36 36 LYS HG2 H 1.530 0.030 2 333 36 36 LYS HG3 H 1.471 0.030 2 334 36 36 LYS HD2 H 1.704 0.030 1 335 36 36 LYS HD3 H 1.704 0.030 1 336 36 36 LYS HE2 H 3.034 0.030 1 337 36 36 LYS HE3 H 3.034 0.030 1 338 36 36 LYS C C 176.606 0.300 1 339 36 36 LYS CA C 58.588 0.300 1 340 36 36 LYS CB C 31.956 0.300 1 341 36 36 LYS CG C 23.999 0.300 1 342 36 36 LYS CD C 29.153 0.300 1 343 36 36 LYS CE C 42.276 0.300 1 344 36 36 LYS N N 127.305 0.300 1 345 37 37 ASP H H 8.374 0.030 1 346 37 37 ASP HA H 4.942 0.030 1 347 37 37 ASP HB2 H 2.931 0.030 2 348 37 37 ASP HB3 H 2.557 0.030 2 349 37 37 ASP C C 175.306 0.300 1 350 37 37 ASP CA C 54.266 0.300 1 351 37 37 ASP CB C 41.062 0.300 1 352 37 37 ASP N N 120.070 0.300 1 353 38 38 THR H H 7.081 0.030 1 354 38 38 THR HA H 4.288 0.030 1 355 38 38 THR HB H 3.090 0.030 1 356 38 38 THR HG2 H 0.209 0.030 1 357 38 38 THR C C 175.433 0.300 1 358 38 38 THR CA C 61.405 0.300 1 359 38 38 THR CB C 70.157 0.300 1 360 38 38 THR CG2 C 24.516 0.300 1 361 38 38 THR N N 112.778 0.300 1 362 39 39 THR H H 7.878 0.030 1 363 39 39 THR HA H 4.581 0.030 1 364 39 39 THR HB H 4.220 0.030 1 365 39 39 THR HG2 H 1.157 0.030 1 366 39 39 THR C C 172.294 0.300 1 367 39 39 THR CA C 59.668 0.300 1 368 39 39 THR CB C 72.015 0.300 1 369 39 39 THR CG2 C 21.840 0.300 1 370 39 39 THR N N 113.487 0.300 1 371 40 40 PHE H H 8.512 0.030 1 372 40 40 PHE HA H 4.989 0.030 1 373 40 40 PHE HB2 H 2.760 0.030 2 374 40 40 PHE HB3 H 2.338 0.030 2 375 40 40 PHE HD1 H 6.895 0.030 1 376 40 40 PHE HD2 H 6.895 0.030 1 377 40 40 PHE HE1 H 6.764 0.030 1 378 40 40 PHE HE2 H 6.764 0.030 1 379 40 40 PHE HZ H 7.264 0.030 1 380 40 40 PHE C C 175.573 0.300 1 381 40 40 PHE CA C 57.258 0.300 1 382 40 40 PHE CB C 44.331 0.300 1 383 40 40 PHE CD1 C 132.654 0.300 1 384 40 40 PHE CD2 C 132.654 0.300 1 385 40 40 PHE CE1 C 130.386 0.300 1 386 40 40 PHE CE2 C 130.386 0.300 1 387 40 40 PHE CZ C 129.200 0.300 1 388 40 40 PHE N N 117.537 0.300 1 389 41 41 GLN H H 8.852 0.030 1 390 41 41 GLN HA H 4.578 0.030 1 391 41 41 GLN HB2 H 1.871 0.030 1 392 41 41 GLN HB3 H 1.871 0.030 1 393 41 41 GLN HG2 H 2.143 0.030 2 394 41 41 GLN HG3 H 2.065 0.030 2 395 41 41 GLN HE21 H 7.459 0.030 2 396 41 41 GLN HE22 H 6.806 0.030 2 397 41 41 GLN C C 173.127 0.300 1 398 41 41 GLN CA C 54.795 0.300 1 399 41 41 GLN CB C 32.041 0.300 1 400 41 41 GLN CG C 33.994 0.300 1 401 41 41 GLN N N 122.521 0.300 1 402 41 41 GLN NE2 N 111.025 0.300 1 403 42 42 TYR H H 8.865 0.030 1 404 42 42 TYR HA H 4.339 0.030 1 405 42 42 TYR HB2 H 2.966 0.030 1 406 42 42 TYR HB3 H 2.966 0.030 1 407 42 42 TYR HD1 H 6.749 0.030 1 408 42 42 TYR HD2 H 6.749 0.030 1 409 42 42 TYR HE1 H 6.285 0.030 1 410 42 42 TYR HE2 H 6.285 0.030 1 411 42 42 TYR C C 175.713 0.300 1 412 42 42 TYR CA C 60.155 0.300 1 413 42 42 TYR CB C 40.651 0.300 1 414 42 42 TYR CD1 C 132.831 0.300 1 415 42 42 TYR CD2 C 132.831 0.300 1 416 42 42 TYR CE1 C 118.453 0.300 1 417 42 42 TYR CE2 C 118.453 0.300 1 418 42 42 TYR N N 124.071 0.300 1 419 43 43 PHE H H 9.005 0.030 1 420 43 43 PHE HA H 5.035 0.030 1 421 43 43 PHE HB2 H 3.213 0.030 2 422 43 43 PHE HB3 H 3.158 0.030 2 423 43 43 PHE HD1 H 7.218 0.030 1 424 43 43 PHE HD2 H 7.218 0.030 1 425 43 43 PHE HE1 H 7.195 0.030 1 426 43 43 PHE HE2 H 7.195 0.030 1 427 43 43 PHE HZ H 7.154 0.030 1 428 43 43 PHE C C 176.086 0.300 1 429 43 43 PHE CA C 55.721 0.300 1 430 43 43 PHE CB C 38.499 0.300 1 431 43 43 PHE CD1 C 132.296 0.300 1 432 43 43 PHE CD2 C 132.296 0.300 1 433 43 43 PHE CE1 C 131.168 0.300 1 434 43 43 PHE CE2 C 131.168 0.300 1 435 43 43 PHE CZ C 129.384 0.300 1 436 43 43 PHE N N 122.852 0.300 1 437 44 44 LYS H H 8.945 0.030 1 438 44 44 LYS HA H 2.900 0.030 1 439 44 44 LYS HB2 H 1.828 0.030 1 440 44 44 LYS HB3 H 1.828 0.030 1 441 44 44 LYS HG2 H 1.206 0.030 2 442 44 44 LYS HG3 H 1.074 0.030 2 443 44 44 LYS HD2 H 1.669 0.030 1 444 44 44 LYS HD3 H 1.669 0.030 1 445 44 44 LYS HE2 H 2.945 0.030 1 446 44 44 LYS HE3 H 2.945 0.030 1 447 44 44 LYS C C 179.060 0.300 1 448 44 44 LYS CA C 60.640 0.300 1 449 44 44 LYS CB C 32.551 0.300 1 450 44 44 LYS CG C 24.800 0.300 1 451 44 44 LYS CD C 29.725 0.300 1 452 44 44 LYS CE C 42.070 0.300 1 453 44 44 LYS N N 126.102 0.300 1 454 45 45 SER HA H 3.987 0.030 1 455 45 45 SER HB2 H 3.604 0.030 2 456 45 45 SER HB3 H 3.548 0.030 2 457 45 45 SER C C 174.669 0.300 1 458 45 45 SER CA C 61.317 0.300 1 459 45 45 SER CB C 62.188 0.300 1 460 46 46 PHE H H 6.882 0.030 1 461 46 46 PHE HA H 4.776 0.030 1 462 46 46 PHE HB2 H 3.362 0.030 2 463 46 46 PHE HB3 H 2.547 0.030 2 464 46 46 PHE HD1 H 7.104 0.030 1 465 46 46 PHE HD2 H 7.104 0.030 1 466 46 46 PHE HE1 H 7.300 0.030 1 467 46 46 PHE HE2 H 7.300 0.030 1 468 46 46 PHE C C 173.968 0.300 1 469 46 46 PHE CA C 56.185 0.300 1 470 46 46 PHE CB C 40.254 0.300 1 471 46 46 PHE CD1 C 131.266 0.300 1 472 46 46 PHE CD2 C 131.266 0.300 1 473 46 46 PHE CE1 C 131.412 0.300 1 474 46 46 PHE CE2 C 131.412 0.300 1 475 46 46 PHE N N 116.354 0.300 1 476 47 47 LYS H H 7.811 0.030 1 477 47 47 LYS HA H 3.207 0.030 1 478 47 47 LYS HB2 H 2.326 0.030 2 479 47 47 LYS HB3 H 1.994 0.030 2 480 47 47 LYS HG2 H 1.067 0.030 2 481 47 47 LYS HG3 H 1.405 0.030 2 482 47 47 LYS HD2 H 1.622 0.030 1 483 47 47 LYS HD3 H 1.622 0.030 1 484 47 47 LYS HE2 H 3.011 0.030 1 485 47 47 LYS HE3 H 3.011 0.030 1 486 47 47 LYS C C 175.299 0.300 1 487 47 47 LYS CA C 58.037 0.300 1 488 47 47 LYS CB C 28.341 0.300 1 489 47 47 LYS CG C 25.170 0.300 1 490 47 47 LYS CD C 28.888 0.300 1 491 47 47 LYS CE C 42.441 0.300 1 492 47 47 LYS N N 117.501 0.300 1 493 48 48 ARG H H 7.638 0.030 1 494 48 48 ARG HA H 5.997 0.030 1 495 48 48 ARG HB2 H 1.800 0.030 2 496 48 48 ARG HB3 H 1.612 0.030 2 497 48 48 ARG HG2 H 1.901 0.030 1 498 48 48 ARG HG3 H 1.901 0.030 1 499 48 48 ARG HD2 H 2.851 0.030 2 500 48 48 ARG HD3 H 3.133 0.030 2 501 48 48 ARG C C 174.714 0.300 1 502 48 48 ARG CA C 53.819 0.300 1 503 48 48 ARG CB C 36.597 0.300 1 504 48 48 ARG CG C 27.651 0.300 1 505 48 48 ARG CD C 44.260 0.300 1 506 48 48 ARG N N 114.724 0.300 1 507 49 49 VAL H H 9.065 0.030 1 508 49 49 VAL HA H 4.868 0.030 1 509 49 49 VAL HB H 1.931 0.030 1 510 49 49 VAL HG1 H 0.730 0.030 1 511 49 49 VAL HG2 H 0.512 0.030 1 512 49 49 VAL C C 175.247 0.300 1 513 49 49 VAL CA C 60.362 0.300 1 514 49 49 VAL CB C 36.550 0.300 1 515 49 49 VAL CG1 C 22.077 0.300 2 516 49 49 VAL CG2 C 20.905 0.300 2 517 49 49 VAL N N 120.892 0.300 1 518 50 50 ARG H H 9.564 0.030 1 519 50 50 ARG HA H 5.199 0.030 1 520 50 50 ARG HB2 H 1.970 0.030 2 521 50 50 ARG HB3 H 1.680 0.030 2 522 50 50 ARG HG2 H 1.427 0.030 1 523 50 50 ARG HG3 H 1.427 0.030 1 524 50 50 ARG HD2 H 3.203 0.030 1 525 50 50 ARG HD3 H 3.203 0.030 1 526 50 50 ARG C C 174.074 0.300 1 527 50 50 ARG CA C 54.992 0.300 1 528 50 50 ARG CB C 32.379 0.300 1 529 50 50 ARG CG C 28.252 0.300 1 530 50 50 ARG CD C 43.420 0.300 1 531 50 50 ARG N N 127.292 0.300 1 532 51 51 ILE H H 9.193 0.030 1 533 51 51 ILE HA H 4.174 0.030 1 534 51 51 ILE HB H 1.239 0.030 1 535 51 51 ILE HG12 H 0.191 0.030 2 536 51 51 ILE HG13 H 1.084 0.030 2 537 51 51 ILE HG2 H -0.490 0.030 1 538 51 51 ILE HD1 H 0.071 0.030 1 539 51 51 ILE C C 174.314 0.300 1 540 51 51 ILE CA C 60.496 0.300 1 541 51 51 ILE CB C 39.939 0.300 1 542 51 51 ILE CG1 C 27.624 0.300 1 543 51 51 ILE CG2 C 20.141 0.300 1 544 51 51 ILE CD1 C 15.930 0.300 1 545 51 51 ILE N N 128.772 0.300 1 546 52 52 ASN H H 8.418 0.030 1 547 52 52 ASN HA H 5.110 0.030 1 548 52 52 ASN HB2 H 2.682 0.030 2 549 52 52 ASN HB3 H 2.520 0.030 2 550 52 52 ASN HD21 H 6.777 0.030 2 551 52 52 ASN HD22 H 6.922 0.030 2 552 52 52 ASN C C 174.132 0.300 1 553 52 52 ASN CA C 52.509 0.300 1 554 52 52 ASN CB C 39.579 0.300 1 555 52 52 ASN N N 125.014 0.300 1 556 52 52 ASN ND2 N 113.062 0.300 1 557 53 53 PHE H H 8.686 0.030 1 558 53 53 PHE HA H 4.440 0.030 1 559 53 53 PHE HB2 H 3.333 0.030 2 560 53 53 PHE HB3 H 3.158 0.030 2 561 53 53 PHE HD1 H 7.464 0.030 1 562 53 53 PHE HD2 H 7.464 0.030 1 563 53 53 PHE HE1 H 7.092 0.030 1 564 53 53 PHE HE2 H 7.092 0.030 1 565 53 53 PHE HZ H 7.020 0.030 1 566 53 53 PHE C C 176.139 0.300 1 567 53 53 PHE CA C 57.211 0.300 1 568 53 53 PHE CB C 41.343 0.300 1 569 53 53 PHE CD1 C 132.535 0.300 1 570 53 53 PHE CD2 C 132.535 0.300 1 571 53 53 PHE CE1 C 130.647 0.300 1 572 53 53 PHE CE2 C 130.647 0.300 1 573 53 53 PHE CZ C 128.617 0.300 1 574 53 53 PHE N N 121.691 0.300 1 575 54 54 SER H H 9.974 0.030 1 576 54 54 SER HA H 4.302 0.030 1 577 54 54 SER HB2 H 4.124 0.030 2 578 54 54 SER HB3 H 4.051 0.030 2 579 54 54 SER C C 174.420 0.300 1 580 54 54 SER CA C 60.698 0.300 1 581 54 54 SER CB C 64.193 0.300 1 582 54 54 SER N N 116.779 0.300 1 583 55 55 ASN H H 7.646 0.030 1 584 55 55 ASN HA H 5.090 0.030 1 585 55 55 ASN HB2 H 3.143 0.030 2 586 55 55 ASN HB3 H 2.940 0.030 2 587 55 55 ASN HD21 H 7.591 0.030 2 588 55 55 ASN HD22 H 7.189 0.030 2 589 55 55 ASN C C 173.400 0.300 1 590 55 55 ASN CA C 51.833 0.300 1 591 55 55 ASN CB C 39.613 0.300 1 592 55 55 ASN N N 115.142 0.300 1 593 55 55 ASN ND2 N 116.035 0.300 1 594 56 56 PRO HA H 4.343 0.030 1 595 56 56 PRO HB2 H 2.204 0.030 2 596 56 56 PRO HB3 H 1.873 0.030 2 597 56 56 PRO HG2 H 2.046 0.030 2 598 56 56 PRO HG3 H 1.885 0.030 2 599 56 56 PRO HD2 H 3.896 0.030 2 600 56 56 PRO HD3 H 3.805 0.030 2 601 56 56 PRO C C 178.869 0.300 1 602 56 56 PRO CA C 64.774 0.300 1 603 56 56 PRO CB C 32.681 0.300 1 604 56 56 PRO CG C 27.651 0.300 1 605 56 56 PRO CD C 51.131 0.300 1 606 57 57 LEU H H 8.129 0.030 1 607 57 57 LEU HA H 4.194 0.030 1 608 57 57 LEU HB2 H 1.809 0.030 2 609 57 57 LEU HB3 H 1.661 0.030 2 610 57 57 LEU HG H 1.690 0.030 1 611 57 57 LEU HD1 H 0.938 0.030 1 612 57 57 LEU HD2 H 0.874 0.030 1 613 57 57 LEU C C 179.584 0.300 1 614 57 57 LEU CA C 57.913 0.300 1 615 57 57 LEU CB C 40.675 0.300 1 616 57 57 LEU CG C 27.350 0.300 1 617 57 57 LEU CD1 C 24.745 0.300 2 618 57 57 LEU CD2 C 23.543 0.300 2 619 57 57 LEU N N 120.992 0.300 1 620 58 58 SER H H 8.209 0.030 1 621 58 58 SER HA H 4.292 0.030 1 622 58 58 SER HB2 H 4.051 0.030 2 623 58 58 SER HB3 H 3.946 0.030 2 624 58 58 SER C C 176.159 0.300 1 625 58 58 SER CA C 61.452 0.300 1 626 58 58 SER CB C 63.088 0.300 1 627 58 58 SER N N 116.269 0.300 1 628 59 59 ALA H H 6.790 0.030 1 629 59 59 ALA HA H 2.258 0.030 1 630 59 59 ALA HB H 1.120 0.030 1 631 59 59 ALA C C 178.258 0.300 1 632 59 59 ALA CA C 54.411 0.300 1 633 59 59 ALA CB C 18.256 0.300 1 634 59 59 ALA N N 122.202 0.300 1 635 60 60 ALA H H 7.776 0.030 1 636 60 60 ALA HA H 4.129 0.030 1 637 60 60 ALA HB H 1.640 0.030 1 638 60 60 ALA C C 180.570 0.300 1 639 60 60 ALA CA C 55.123 0.300 1 640 60 60 ALA CB C 17.991 0.300 1 641 60 60 ALA N N 118.780 0.300 1 642 61 61 ASP H H 8.164 0.030 1 643 61 61 ASP HA H 4.374 0.030 1 644 61 61 ASP HB2 H 2.753 0.030 2 645 61 61 ASP HB3 H 2.622 0.030 2 646 61 61 ASP C C 177.779 0.300 1 647 61 61 ASP CA C 57.211 0.300 1 648 61 61 ASP CB C 41.043 0.300 1 649 61 61 ASP N N 120.014 0.300 1 650 62 62 ALA H H 7.748 0.030 1 651 62 62 ALA HA H 3.281 0.030 1 652 62 62 ALA HB H 1.171 0.030 1 653 62 62 ALA C C 178.711 0.300 1 654 62 62 ALA CA C 54.899 0.300 1 655 62 62 ALA CB C 18.748 0.300 1 656 62 62 ALA N N 120.892 0.300 1 657 63 63 ARG H H 7.933 0.030 1 658 63 63 ARG HA H 3.508 0.030 1 659 63 63 ARG HB2 H 1.571 0.030 1 660 63 63 ARG HB3 H 1.571 0.030 1 661 63 63 ARG HG2 H 1.154 0.030 2 662 63 63 ARG HG3 H 0.870 0.030 2 663 63 63 ARG HD2 H 2.502 0.030 2 664 63 63 ARG HD3 H 2.222 0.030 2 665 63 63 ARG C C 178.171 0.300 1 666 63 63 ARG CA C 60.468 0.300 1 667 63 63 ARG CB C 29.195 0.300 1 668 63 63 ARG CG C 28.472 0.300 1 669 63 63 ARG CD C 42.096 0.300 1 670 63 63 ARG N N 116.801 0.300 1 671 64 64 LEU H H 7.664 0.030 1 672 64 64 LEU HA H 4.013 0.030 1 673 64 64 LEU HB2 H 1.792 0.030 1 674 64 64 LEU HB3 H 1.792 0.030 1 675 64 64 LEU HG H 1.637 0.030 1 676 64 64 LEU HD1 H 0.941 0.030 1 677 64 64 LEU HD2 H 0.969 0.030 1 678 64 64 LEU C C 179.478 0.300 1 679 64 64 LEU CA C 57.816 0.300 1 680 64 64 LEU CB C 42.197 0.300 1 681 64 64 LEU CG C 27.042 0.300 1 682 64 64 LEU CD1 C 24.745 0.300 2 683 64 64 LEU CD2 C 24.024 0.300 2 684 64 64 LEU N N 117.238 0.300 1 685 65 65 ARG H H 7.772 0.030 1 686 65 65 ARG HA H 4.080 0.030 1 687 65 65 ARG HB2 H 1.730 0.030 1 688 65 65 ARG HB3 H 1.730 0.030 1 689 65 65 ARG HG2 H 1.698 0.030 2 690 65 65 ARG HG3 H 1.581 0.030 2 691 65 65 ARG HD2 H 3.042 0.030 1 692 65 65 ARG HD3 H 3.042 0.030 1 693 65 65 ARG C C 178.378 0.300 1 694 65 65 ARG CA C 58.097 0.300 1 695 65 65 ARG CB C 31.146 0.300 1 696 65 65 ARG CG C 27.799 0.300 1 697 65 65 ARG CD C 42.918 0.300 1 698 65 65 ARG N N 115.885 0.300 1 699 66 66 LEU H H 7.891 0.030 1 700 66 66 LEU HA H 4.644 0.030 1 701 66 66 LEU HB2 H 1.694 0.030 2 702 66 66 LEU HB3 H 1.173 0.030 2 703 66 66 LEU HG H 1.302 0.030 1 704 66 66 LEU HD1 H 0.175 0.030 1 705 66 66 LEU HD2 H 0.745 0.030 1 706 66 66 LEU C C 178.958 0.300 1 707 66 66 LEU CA C 54.800 0.300 1 708 66 66 LEU CB C 44.481 0.300 1 709 66 66 LEU CG C 26.968 0.300 1 710 66 66 LEU CD1 C 26.477 0.300 2 711 66 66 LEU CD2 C 23.042 0.300 2 712 66 66 LEU N N 114.718 0.300 1 713 67 67 HIS H H 8.430 0.030 1 714 67 67 HIS HA H 4.363 0.030 1 715 67 67 HIS HB2 H 3.223 0.030 2 716 67 67 HIS HB3 H 3.122 0.030 2 717 67 67 HIS HD2 H 7.029 0.030 1 718 67 67 HIS HE1 H 7.370 0.030 1 719 67 67 HIS C C 176.100 0.300 1 720 67 67 HIS CA C 59.231 0.300 1 721 67 67 HIS CB C 31.214 0.300 1 722 67 67 HIS CD2 C 118.009 0.300 1 723 67 67 HIS CE1 C 137.648 0.300 1 724 67 67 HIS N N 123.193 0.300 1 725 68 68 LYS H H 8.403 0.030 1 726 68 68 LYS HA H 3.640 0.030 1 727 68 68 LYS HB2 H 1.951 0.030 2 728 68 68 LYS HB3 H 1.671 0.030 2 729 68 68 LYS HG2 H 0.219 0.030 2 730 68 68 LYS HG3 H 0.828 0.030 2 731 68 68 LYS HD2 H 1.566 0.030 2 732 68 68 LYS HD3 H 1.487 0.030 2 733 68 68 LYS HE2 H 2.955 0.030 2 734 68 68 LYS HE3 H 2.924 0.030 2 735 68 68 LYS C C 175.766 0.300 1 736 68 68 LYS CA C 58.999 0.300 1 737 68 68 LYS CB C 28.586 0.300 1 738 68 68 LYS CG C 24.258 0.300 1 739 68 68 LYS CD C 29.045 0.300 1 740 68 68 LYS CE C 41.475 0.300 1 741 68 68 LYS N N 121.217 0.300 1 742 69 69 THR H H 7.647 0.030 1 743 69 69 THR HA H 4.580 0.030 1 744 69 69 THR HB H 4.288 0.030 1 745 69 69 THR HG2 H 1.239 0.030 1 746 69 69 THR C C 173.347 0.300 1 747 69 69 THR CA C 61.222 0.300 1 748 69 69 THR CB C 71.279 0.300 1 749 69 69 THR CG2 C 22.141 0.300 1 750 69 69 THR N N 109.960 0.300 1 751 70 70 GLU H H 8.486 0.030 1 752 70 70 GLU HA H 4.529 0.030 1 753 70 70 GLU HB2 H 1.941 0.030 2 754 70 70 GLU HB3 H 1.673 0.030 2 755 70 70 GLU HG2 H 1.848 0.030 2 756 70 70 GLU HG3 H 2.246 0.030 2 757 70 70 GLU C C 176.500 0.300 1 758 70 70 GLU CA C 56.011 0.300 1 759 70 70 GLU CB C 31.509 0.300 1 760 70 70 GLU CG C 36.666 0.300 1 761 70 70 GLU N N 118.811 0.300 1 762 71 71 PHE H H 9.191 0.030 1 763 71 71 PHE HA H 4.898 0.030 1 764 71 71 PHE HB2 H 3.160 0.030 1 765 71 71 PHE HB3 H 3.160 0.030 1 766 71 71 PHE HD1 H 7.398 0.030 1 767 71 71 PHE HD2 H 7.398 0.030 1 768 71 71 PHE HE1 H 7.391 0.030 1 769 71 71 PHE HE2 H 7.391 0.030 1 770 71 71 PHE HZ H 7.076 0.030 1 771 71 71 PHE C C 174.172 0.300 1 772 71 71 PHE CA C 56.941 0.300 1 773 71 71 PHE CB C 40.996 0.300 1 774 71 71 PHE CD1 C 132.484 0.300 1 775 71 71 PHE CD2 C 132.484 0.300 1 776 71 71 PHE CE1 C 129.322 0.300 1 777 71 71 PHE CE2 C 129.322 0.300 1 778 71 71 PHE CZ C 130.632 0.300 1 779 71 71 PHE N N 125.722 0.300 1 780 72 72 LEU H H 9.172 0.030 1 781 72 72 LEU HA H 3.648 0.030 1 782 72 72 LEU HB2 H 1.298 0.030 2 783 72 72 LEU HB3 H 1.171 0.030 2 784 72 72 LEU HG H 0.241 0.030 1 785 72 72 LEU HD1 H 0.548 0.030 1 786 72 72 LEU HD2 H 0.561 0.030 1 787 72 72 LEU C C 177.309 0.300 1 788 72 72 LEU CA C 55.015 0.300 1 789 72 72 LEU CB C 39.057 0.300 1 790 72 72 LEU CG C 25.688 0.300 1 791 72 72 LEU CD1 C 27.450 0.300 2 792 72 72 LEU CD2 C 22.282 0.300 2 793 73 73 GLY H H 8.413 0.030 1 794 73 73 GLY HA2 H 4.117 0.030 2 795 73 73 GLY HA3 H 3.641 0.030 2 796 73 73 GLY C C 173.994 0.300 1 797 73 73 GLY CA C 45.379 0.300 1 798 73 73 GLY N N 102.782 0.300 1 799 74 74 LYS H H 7.578 0.030 1 800 74 74 LYS HA H 4.846 0.030 1 801 74 74 LYS HB2 H 2.033 0.030 2 802 74 74 LYS HB3 H 1.850 0.030 2 803 74 74 LYS HG2 H 1.414 0.030 1 804 74 74 LYS HG3 H 1.414 0.030 1 805 74 74 LYS HD2 H 1.755 0.030 1 806 74 74 LYS HD3 H 1.755 0.030 1 807 74 74 LYS HE2 H 3.054 0.030 1 808 74 74 LYS HE3 H 3.054 0.030 1 809 74 74 LYS C C 175.853 0.300 1 810 74 74 LYS CA C 53.785 0.300 1 811 74 74 LYS CB C 35.641 0.300 1 812 74 74 LYS CG C 24.923 0.300 1 813 74 74 LYS CD C 28.853 0.300 1 814 74 74 LYS CE C 42.577 0.300 1 815 74 74 LYS N N 118.251 0.300 1 816 75 75 GLU H H 8.886 0.030 1 817 75 75 GLU HA H 4.199 0.030 1 818 75 75 GLU HB2 H 2.001 0.030 2 819 75 75 GLU HB3 H 1.919 0.030 2 820 75 75 GLU HG2 H 2.000 0.030 2 821 75 75 GLU HG3 H 1.947 0.030 2 822 75 75 GLU C C 176.139 0.300 1 823 75 75 GLU CA C 57.702 0.300 1 824 75 75 GLU CB C 31.002 0.300 1 825 75 75 GLU CG C 37.143 0.300 1 826 75 75 GLU N N 125.190 0.300 1 827 76 76 MET H H 9.167 0.030 1 828 76 76 MET HA H 5.021 0.030 1 829 76 76 MET HB2 H 2.330 0.030 2 830 76 76 MET HB3 H 2.201 0.030 2 831 76 76 MET HG2 H 2.554 0.030 1 832 76 76 MET HG3 H 2.554 0.030 1 833 76 76 MET HE H 1.978 0.030 1 834 76 76 MET C C 174.853 0.300 1 835 76 76 MET CA C 55.234 0.300 1 836 76 76 MET CB C 35.658 0.300 1 837 76 76 MET CG C 31.617 0.300 1 838 76 76 MET CE C 16.945 0.300 1 839 76 76 MET N N 128.242 0.300 1 840 77 77 LYS H H 7.813 0.030 1 841 77 77 LYS HA H 5.160 0.030 1 842 77 77 LYS HB2 H 1.974 0.030 2 843 77 77 LYS HB3 H 1.922 0.030 2 844 77 77 LYS HG2 H 1.389 0.030 2 845 77 77 LYS HG3 H 1.581 0.030 2 846 77 77 LYS HD2 H 1.913 0.030 2 847 77 77 LYS HD3 H 1.819 0.030 2 848 77 77 LYS HE2 H 3.042 0.030 1 849 77 77 LYS HE3 H 3.042 0.030 1 850 77 77 LYS C C 174.647 0.300 1 851 77 77 LYS CA C 54.988 0.300 1 852 77 77 LYS CB C 35.811 0.300 1 853 77 77 LYS CG C 25.829 0.300 1 854 77 77 LYS CD C 29.320 0.300 1 855 77 77 LYS CE C 42.176 0.300 1 856 77 77 LYS N N 122.761 0.300 1 857 78 78 LEU H H 10.744 0.030 1 858 78 78 LEU HA H 5.436 0.030 1 859 78 78 LEU HB2 H 1.538 0.030 2 860 78 78 LEU HB3 H 1.220 0.030 2 861 78 78 LEU HG H 1.643 0.030 1 862 78 78 LEU HD1 H 0.987 0.030 1 863 78 78 LEU HD2 H 1.041 0.030 1 864 78 78 LEU C C 174.427 0.300 1 865 78 78 LEU CA C 53.468 0.300 1 866 78 78 LEU CB C 47.708 0.300 1 867 78 78 LEU CG C 27.992 0.300 1 868 78 78 LEU CD1 C 27.606 0.300 2 869 78 78 LEU CD2 C 25.847 0.300 2 870 78 78 LEU N N 126.373 0.300 1 871 79 79 TYR H H 8.816 0.030 1 872 79 79 TYR HA H 4.591 0.030 1 873 79 79 TYR HB2 H 3.199 0.030 2 874 79 79 TYR HB3 H 2.444 0.030 2 875 79 79 TYR HD1 H 7.021 0.030 1 876 79 79 TYR HD2 H 7.021 0.030 1 877 79 79 TYR HE1 H 6.825 0.030 1 878 79 79 TYR HE2 H 6.825 0.030 1 879 79 79 TYR C C 175.519 0.300 1 880 79 79 TYR CA C 55.620 0.300 1 881 79 79 TYR CB C 42.020 0.300 1 882 79 79 TYR CD1 C 133.795 0.300 1 883 79 79 TYR CD2 C 133.795 0.300 1 884 79 79 TYR CE1 C 118.046 0.300 1 885 79 79 TYR CE2 C 118.046 0.300 1 886 79 79 TYR N N 119.136 0.300 1 887 80 80 PHE H H 8.936 0.030 1 888 80 80 PHE HA H 4.703 0.030 1 889 80 80 PHE HB2 H 3.271 0.030 2 890 80 80 PHE HB3 H 2.879 0.030 2 891 80 80 PHE HD1 H 7.377 0.030 1 892 80 80 PHE HD2 H 7.377 0.030 1 893 80 80 PHE HE1 H 7.212 0.030 1 894 80 80 PHE HE2 H 7.212 0.030 1 895 80 80 PHE HZ H 7.284 0.030 1 896 80 80 PHE C C 176.759 0.300 1 897 80 80 PHE CA C 59.990 0.300 1 898 80 80 PHE CB C 39.034 0.300 1 899 80 80 PHE CD1 C 132.275 0.300 1 900 80 80 PHE CD2 C 132.275 0.300 1 901 80 80 PHE CE1 C 131.167 0.300 1 902 80 80 PHE CE2 C 131.167 0.300 1 903 80 80 PHE CZ C 129.385 0.300 1 904 80 80 PHE N N 120.574 0.300 1 905 81 81 ALA H H 8.429 0.030 1 906 81 81 ALA HA H 4.260 0.030 1 907 81 81 ALA HB H 1.241 0.030 1 908 81 81 ALA C C 177.445 0.300 1 909 81 81 ALA CA C 52.561 0.300 1 910 81 81 ALA CB C 18.851 0.300 1 911 81 81 ALA N N 124.828 0.300 1 912 82 82 GLN H H 8.613 0.030 1 913 82 82 GLN HA H 4.363 0.030 1 914 82 82 GLN HB2 H 2.112 0.030 2 915 82 82 GLN HB3 H 1.987 0.030 2 916 82 82 GLN HG2 H 2.370 0.030 1 917 82 82 GLN HG3 H 2.370 0.030 1 918 82 82 GLN HE21 H 7.491 0.030 2 919 82 82 GLN HE22 H 6.831 0.030 2 920 82 82 GLN C C 176.086 0.300 1 921 82 82 GLN CA C 56.377 0.300 1 922 82 82 GLN CB C 29.450 0.300 1 923 82 82 GLN CG C 33.829 0.300 1 924 82 82 GLN N N 119.553 0.300 1 925 82 82 GLN NE2 N 112.063 0.300 1 926 83 83 THR H H 8.130 0.030 1 927 83 83 THR HA H 4.291 0.030 1 928 83 83 THR HB H 4.210 0.030 1 929 83 83 THR HG2 H 1.160 0.030 1 930 83 83 THR C C 174.099 0.300 1 931 83 83 THR CA C 62.052 0.300 1 932 83 83 THR CB C 69.756 0.300 1 933 83 83 THR CG2 C 21.803 0.300 1 934 83 83 THR N N 114.767 0.300 1 935 84 84 LEU H H 8.039 0.030 1 936 84 84 LEU HA H 4.256 0.030 1 937 84 84 LEU HB2 H 1.471 0.030 2 938 84 84 LEU HB3 H 1.411 0.030 2 939 84 84 LEU HG H 1.442 0.030 1 940 84 84 LEU HD1 H 0.760 0.030 1 941 84 84 LEU HD2 H 0.716 0.030 1 942 84 84 LEU C C 176.426 0.300 1 943 84 84 LEU CA C 55.172 0.300 1 944 84 84 LEU CB C 42.694 0.300 1 945 84 84 LEU CG C 26.931 0.300 1 946 84 84 LEU CD1 C 24.753 0.300 2 947 84 84 LEU CD2 C 23.706 0.300 2 948 84 84 LEU N N 123.634 0.300 1 949 85 85 HIS H H 8.169 0.030 1 950 85 85 HIS HA H 4.549 0.030 1 951 85 85 HIS HB2 H 2.979 0.030 1 952 85 85 HIS HB3 H 2.979 0.030 1 953 85 85 HIS HD2 H 6.883 0.030 1 954 85 85 HIS HE1 H 7.695 0.030 1 955 85 85 HIS C C 175.480 0.300 1 956 85 85 HIS CA C 56.374 0.300 1 957 85 85 HIS CB C 30.890 0.300 1 958 85 85 HIS CD2 C 119.676 0.300 1 959 85 85 HIS CE1 C 138.427 0.300 1 960 85 85 HIS N N 120.692 0.300 1 961 86 86 ILE H H 7.990 0.030 1 962 86 86 ILE HA H 3.990 0.030 1 963 86 86 ILE HB H 1.667 0.030 1 964 86 86 ILE HG12 H 1.245 0.030 2 965 86 86 ILE HG13 H 0.934 0.030 2 966 86 86 ILE HG2 H 0.681 0.030 1 967 86 86 ILE HD1 H 0.699 0.030 1 968 86 86 ILE C C 176.113 0.300 1 969 86 86 ILE CA C 61.342 0.300 1 970 86 86 ILE CB C 38.583 0.300 1 971 86 86 ILE CG1 C 27.264 0.300 1 972 86 86 ILE CG2 C 17.358 0.300 1 973 86 86 ILE CD1 C 13.257 0.300 1 974 86 86 ILE N N 122.644 0.300 1 975 87 87 GLY H H 8.342 0.030 1 976 87 87 GLY HA2 H 3.829 0.030 2 977 87 87 GLY HA3 H 3.763 0.030 2 978 87 87 GLY C C 173.540 0.300 1 979 87 87 GLY CA C 45.062 0.300 1 980 87 87 GLY N N 112.071 0.300 1 981 88 88 SER H H 7.947 0.030 1 982 88 88 SER HA H 4.505 0.030 1 983 88 88 SER HB2 H 3.863 0.030 1 984 88 88 SER HB3 H 3.863 0.030 1 985 88 88 SER C C 174.294 0.300 1 986 88 88 SER CA C 58.034 0.300 1 987 88 88 SER CB C 64.088 0.300 1 988 88 88 SER N N 114.853 0.300 1 989 89 89 SER H H 8.388 0.030 1 990 89 89 SER HA H 4.494 0.030 1 991 89 89 SER HB2 H 3.881 0.030 1 992 89 89 SER HB3 H 3.881 0.030 1 993 89 89 SER C C 172.667 0.300 1 994 89 89 SER CA C 58.035 0.300 1 995 89 89 SER CB C 64.084 0.300 1 996 89 89 SER N N 116.905 0.300 1 997 90 90 HIS HA H 4.536 0.030 1 998 90 90 HIS HB2 H 2.975 0.030 1 999 90 90 HIS HB3 H 2.975 0.030 1 1000 90 90 HIS C C 174.895 0.300 1 1001 90 90 HIS CA C 56.497 0.300 1 1002 90 90 HIS CB C 30.846 0.300 1 1003 91 91 LEU H H 7.821 0.030 1 1004 91 91 LEU HA H 4.220 0.030 1 1005 91 91 LEU HB2 H 1.427 0.030 1 1006 91 91 LEU HB3 H 1.427 0.030 1 1007 91 91 LEU HG H 1.239 0.030 1 1008 91 91 LEU HD1 H 0.765 0.030 1 1009 91 91 LEU HD2 H 0.703 0.030 1 1010 91 91 LEU C C 176.153 0.300 1 1011 91 91 LEU CA C 54.615 0.300 1 1012 91 91 LEU CB C 42.329 0.300 1 1013 91 91 LEU CG C 26.649 0.300 1 1014 91 91 LEU CD1 C 25.046 0.300 2 1015 91 91 LEU CD2 C 23.364 0.300 2 1016 91 91 LEU N N 122.427 0.300 1 1017 92 92 ALA H H 7.996 0.030 1 1018 92 92 ALA HA H 4.453 0.030 1 1019 92 92 ALA HB H 1.271 0.030 1 1020 92 92 ALA C C 174.638 0.300 1 1021 92 92 ALA CA C 50.220 0.300 1 1022 92 92 ALA CB C 18.272 0.300 1 1023 92 92 ALA N N 125.347 0.300 1 1024 93 93 PRO HA H 4.568 0.030 1 1025 93 93 PRO HB2 H 2.245 0.030 2 1026 93 93 PRO HB3 H 1.835 0.030 2 1027 93 93 PRO HG2 H 1.996 0.030 1 1028 93 93 PRO HG3 H 1.996 0.030 1 1029 93 93 PRO HD2 H 3.614 0.030 1 1030 93 93 PRO HD3 H 3.614 0.030 1 1031 93 93 PRO CA C 61.231 0.300 1 1032 93 93 PRO CB C 30.770 0.300 1 1033 93 93 PRO CG C 27.356 0.300 1 1034 93 93 PRO CD C 50.260 0.300 1 1035 94 94 PRO HA H 4.351 0.030 1 1036 94 94 PRO HB2 H 2.187 0.030 2 1037 94 94 PRO HB3 H 1.829 0.030 2 1038 94 94 PRO HG2 H 1.889 0.030 1 1039 94 94 PRO HG3 H 1.889 0.030 1 1040 94 94 PRO HD2 H 3.681 0.030 2 1041 94 94 PRO HD3 H 3.529 0.030 2 1042 94 94 PRO C C 176.189 0.300 1 1043 94 94 PRO CA C 62.761 0.300 1 1044 94 94 PRO CB C 31.850 0.300 1 1045 94 94 PRO CG C 27.250 0.300 1 1046 94 94 PRO CD C 50.271 0.300 1 1047 95 95 ASN H H 8.441 0.030 1 1048 95 95 ASN HA H 4.895 0.030 1 1049 95 95 ASN HB2 H 2.826 0.030 2 1050 95 95 ASN HB3 H 2.682 0.030 2 1051 95 95 ASN HD21 H 7.622 0.030 2 1052 95 95 ASN HD22 H 6.975 0.030 2 1053 95 95 ASN C C 173.786 0.300 1 1054 95 95 ASN CA C 51.103 0.300 1 1055 95 95 ASN CB C 38.838 0.300 1 1056 95 95 ASN N N 119.504 0.300 1 1057 95 95 ASN ND2 N 112.870 0.300 1 1058 96 96 PRO HA H 4.381 0.030 1 1059 96 96 PRO HB2 H 2.194 0.030 2 1060 96 96 PRO HB3 H 1.917 0.030 2 1061 96 96 PRO HG2 H 1.931 0.030 1 1062 96 96 PRO HG3 H 1.931 0.030 1 1063 96 96 PRO HD2 H 3.744 0.030 2 1064 96 96 PRO HD3 H 3.727 0.030 2 1065 96 96 PRO C C 176.522 0.300 1 1066 96 96 PRO CA C 63.495 0.300 1 1067 96 96 PRO CB C 32.075 0.300 1 1068 96 96 PRO CG C 27.150 0.300 1 1069 96 96 PRO CD C 50.666 0.300 1 1070 97 97 ASP H H 8.276 0.030 1 1071 97 97 ASP HA H 4.548 0.030 1 1072 97 97 ASP HB2 H 2.711 0.030 2 1073 97 97 ASP HB3 H 2.609 0.030 2 1074 97 97 ASP C C 176.353 0.300 1 1075 97 97 ASP CA C 54.497 0.300 1 1076 97 97 ASP CB C 41.142 0.300 1 1077 97 97 ASP N N 119.859 0.300 1 1078 98 98 LYS H H 8.154 0.030 1 1079 98 98 LYS HA H 4.360 0.030 1 1080 98 98 LYS HB2 H 1.894 0.030 2 1081 98 98 LYS HB3 H 1.749 0.030 2 1082 98 98 LYS HG2 H 1.405 0.030 1 1083 98 98 LYS HG3 H 1.405 0.030 1 1084 98 98 LYS HD2 H 1.673 0.030 1 1085 98 98 LYS HD3 H 1.673 0.030 1 1086 98 98 LYS HE2 H 2.972 0.030 1 1087 98 98 LYS HE3 H 2.972 0.030 1 1088 98 98 LYS C C 176.486 0.300 1 1089 98 98 LYS CA C 56.224 0.300 1 1090 98 98 LYS CB C 32.752 0.300 1 1091 98 98 LYS CG C 24.588 0.300 1 1092 98 98 LYS CD C 28.953 0.300 1 1093 98 98 LYS CE C 42.176 0.300 1 1094 98 98 LYS N N 121.587 0.300 1 1095 99 99 SER H H 8.310 0.030 1 1096 99 99 SER HA H 4.464 0.030 1 1097 99 99 SER HB2 H 3.708 0.030 2 1098 99 99 SER HB3 H 3.815 0.030 2 1099 99 99 SER C C 174.553 0.300 1 1100 99 99 SER CA C 58.586 0.300 1 1101 99 99 SER CB C 63.558 0.300 1 1102 99 99 SER N N 116.757 0.300 1 1103 100 100 GLY H H 8.219 0.030 1 1104 100 100 GLY HA2 H 4.158 0.030 2 1105 100 100 GLY HA3 H 4.077 0.030 2 1106 100 100 GLY C C 171.788 0.300 1 1107 100 100 GLY CA C 44.666 0.300 1 1108 100 100 GLY N N 110.570 0.300 1 1109 101 101 PRO HA H 4.474 0.030 1 1110 101 101 PRO HB2 H 2.286 0.030 2 1111 101 101 PRO HB3 H 1.966 0.030 2 1112 101 101 PRO HG2 H 1.996 0.030 1 1113 101 101 PRO HG3 H 1.996 0.030 1 1114 101 101 PRO HD2 H 3.614 0.030 1 1115 101 101 PRO HD3 H 3.614 0.030 1 1116 101 101 PRO CA C 63.297 0.300 1 1117 101 101 PRO CB C 32.168 0.300 1 1118 101 101 PRO CG C 27.139 0.300 1 1119 101 101 PRO CD C 49.826 0.300 1 stop_ save_