data_10077 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RNA binding domain of eukaryotic initiation factor 4B ; _BMRB_accession_number 10077 _BMRB_flat_file_name bmr10077.str _Entry_type original _Submission_date 2006-12-25 _Accession_date 2006-12-27 _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 Suzuki S. . . 2 Muto Y. . . 3 Nagata T. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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" 555 "13C chemical shifts" 415 "15N chemical shifts" 93 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 the RNA binding domain of eukaryotic initiation factor 4B' _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 Suzuki S. . . 2 Muto Y. . . 3 Nagata T. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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 'Eukaryotic translation initiation factor 4B' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Eukaryotic translation initiation factor 4B' $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 'RNA recognition motif' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; GSSGSSGSRLPKSPPYTAFL GNLPYDVTEESIKEFFRGLN ISAVRLPREPSNPERLKGFG YAEFEDLDSLLSALSLNEES LGNKRIRVDVADQAQDKDSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 ARG 10 LEU 11 PRO 12 LYS 13 SER 14 PRO 15 PRO 16 TYR 17 THR 18 ALA 19 PHE 20 LEU 21 GLY 22 ASN 23 LEU 24 PRO 25 TYR 26 ASP 27 VAL 28 THR 29 GLU 30 GLU 31 SER 32 ILE 33 LYS 34 GLU 35 PHE 36 PHE 37 ARG 38 GLY 39 LEU 40 ASN 41 ILE 42 SER 43 ALA 44 VAL 45 ARG 46 LEU 47 PRO 48 ARG 49 GLU 50 PRO 51 SER 52 ASN 53 PRO 54 GLU 55 ARG 56 LEU 57 LYS 58 GLY 59 PHE 60 GLY 61 TYR 62 ALA 63 GLU 64 PHE 65 GLU 66 ASP 67 LEU 68 ASP 69 SER 70 LEU 71 LEU 72 SER 73 ALA 74 LEU 75 SER 76 LEU 77 ASN 78 GLU 79 GLU 80 SER 81 LEU 82 GLY 83 ASN 84 LYS 85 ARG 86 ILE 87 ARG 88 VAL 89 ASP 90 VAL 91 ALA 92 ASP 93 GLN 94 ALA 95 GLN 96 ASP 97 LYS 98 ASP 99 SER 100 GLY 101 PRO 102 SER 103 SER 104 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1WI8 "Solution Structure Of The Rna Binding Domain Of Eukaryotic Initiation Factor 4b" 100.00 104 100.00 100.00 2.26e-65 PDB 2J76 "Solution Structure And Rna Interactions Of The Rna Recognition Motif From Eukaryotic Translation Initiation Factor 4b" 85.58 100 98.88 100.00 1.94e-55 DBJ BAB82380 "eukaryotic initiation factor 4B [Homo sapiens]" 87.50 611 98.90 100.00 8.90e-53 DBJ BAD96248 "eukaryotic translation initiation factor 4B variant [Homo sapiens]" 87.50 611 100.00 100.00 3.78e-53 DBJ BAG11107 "eukaryotic translation initiation factor 4B [synthetic construct]" 87.50 611 98.90 100.00 8.90e-53 DBJ BAG57157 "unnamed protein product [Homo sapiens]" 87.50 587 98.90 100.00 5.45e-53 DBJ BAG61335 "unnamed protein product [Homo sapiens]" 87.50 616 98.90 100.00 8.37e-53 EMBL CAA39265 "initation factor 4B [Homo sapiens]" 87.50 611 98.90 100.00 8.04e-53 EMBL CAG33239 "EIF4B [Homo sapiens]" 87.50 611 98.90 100.00 8.55e-53 EMBL CAH92323 "hypothetical protein [Pongo abelii]" 87.50 611 98.90 100.00 8.63e-53 GB AAH73139 "Eukaryotic translation initiation factor 4B [Homo sapiens]" 87.50 611 98.90 100.00 8.90e-53 GB AAH73154 "Eukaryotic translation initiation factor 4B [Homo sapiens]" 87.50 611 98.90 100.00 8.04e-53 GB AAH98437 "Eukaryotic translation initiation factor 4B [Homo sapiens]" 87.50 611 98.90 100.00 9.85e-53 GB AAI05158 "Eukaryotic translation initiation factor 4B [Bos taurus]" 87.50 610 97.80 100.00 2.49e-52 GB AIC54329 "EIF4B, partial [synthetic construct]" 87.50 611 98.90 100.00 8.90e-53 REF NP_001030200 "eukaryotic translation initiation factor 4B [Bos taurus]" 87.50 610 97.80 100.00 2.49e-52 REF NP_001182737 "eukaryotic translation initiation factor 4B [Macaca mulatta]" 87.50 607 98.90 100.00 8.99e-53 REF NP_001287750 "eukaryotic translation initiation factor 4B isoform 1 [Homo sapiens]" 87.50 616 98.90 100.00 9.36e-53 REF NP_001408 "eukaryotic translation initiation factor 4B isoform 2 [Homo sapiens]" 87.50 611 98.90 100.00 8.90e-53 REF XP_001115324 "PREDICTED: eukaryotic translation initiation factor 4B, partial [Macaca mulatta]" 87.50 282 98.90 100.00 2.40e-54 SP P23588 "RecName: Full=Eukaryotic translation initiation factor 4B; Short=eIF-4B" 87.50 611 98.90 100.00 8.90e-53 TPG DAA30015 "TPA: eukaryotic translation initiation factor 4B [Bos taurus]" 87.50 610 97.80 100.00 2.67e-52 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 human 9606 Eukaryota Metazoa Homo sapiens 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 P040301-18 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 1.0 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 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 2.3 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 0.901 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name Olivia _Version 1.9.12 loop_ _Vendor _Address _Electronic_address 'Yokochi, M.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name CYANA _Version 2.0.17 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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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' 100 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 13C-separated NOESY' '3D 15N-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 'Eukaryotic translation initiation factor 4B' _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 8 8 SER HA H 4.441 0.030 1 2 8 8 SER HB2 H 3.869 0.030 2 3 8 8 SER CA C 58.710 0.300 1 4 8 8 SER CB C 63.807 0.300 1 5 9 9 ARG H H 8.399 0.030 1 6 9 9 ARG HA H 4.394 0.030 1 7 9 9 ARG HB2 H 1.773 0.030 2 8 9 9 ARG HB3 H 1.920 0.030 2 9 9 9 ARG HG2 H 1.625 0.030 1 10 9 9 ARG HG3 H 1.625 0.030 1 11 9 9 ARG HD2 H 3.220 0.030 1 12 9 9 ARG HD3 H 3.220 0.030 1 13 9 9 ARG C C 175.729 0.300 1 14 9 9 ARG CA C 55.729 0.300 1 15 9 9 ARG CB C 30.600 0.300 1 16 9 9 ARG CG C 27.372 0.300 1 17 9 9 ARG CD C 43.423 0.300 1 18 9 9 ARG N N 122.684 0.300 1 19 10 10 LEU H H 7.988 0.030 1 20 10 10 LEU HA H 4.579 0.030 1 21 10 10 LEU HB2 H 1.727 0.030 2 22 10 10 LEU HB3 H 1.464 0.030 2 23 10 10 LEU HG H 1.761 0.030 1 24 10 10 LEU HD1 H 0.891 0.030 1 25 10 10 LEU HD2 H 0.977 0.030 1 26 10 10 LEU C C 175.021 0.300 1 27 10 10 LEU CA C 52.928 0.300 1 28 10 10 LEU CB C 41.620 0.300 1 29 10 10 LEU CG C 27.175 0.300 1 30 10 10 LEU CD1 C 23.505 0.300 2 31 10 10 LEU CD2 C 25.651 0.300 2 32 10 10 LEU N N 122.291 0.300 1 33 11 11 PRO HA H 4.571 0.030 1 34 11 11 PRO HB2 H 2.153 0.030 2 35 11 11 PRO HB3 H 2.506 0.030 2 36 11 11 PRO HG2 H 2.346 0.030 2 37 11 11 PRO HG3 H 2.210 0.030 2 38 11 11 PRO HD2 H 3.574 0.030 2 39 11 11 PRO HD3 H 3.943 0.030 2 40 11 11 PRO C C 176.290 0.300 1 41 11 11 PRO CA C 62.826 0.300 1 42 11 11 PRO CB C 32.440 0.300 1 43 11 11 PRO CG C 28.043 0.300 1 44 11 11 PRO CD C 50.496 0.300 1 45 12 12 LYS H H 8.573 0.030 1 46 12 12 LYS HA H 4.509 0.030 1 47 12 12 LYS HB2 H 1.799 0.030 2 48 12 12 LYS HB3 H 2.024 0.030 2 49 12 12 LYS HG2 H 1.556 0.030 2 50 12 12 LYS HG3 H 1.523 0.030 2 51 12 12 LYS HD2 H 1.738 0.030 1 52 12 12 LYS HD3 H 1.738 0.030 1 53 12 12 LYS HE2 H 3.051 0.030 1 54 12 12 LYS HE3 H 3.051 0.030 1 55 12 12 LYS C C 175.951 0.300 1 56 12 12 LYS CA C 56.131 0.300 1 57 12 12 LYS CB C 33.559 0.300 1 58 12 12 LYS CG C 25.051 0.300 1 59 12 12 LYS CD C 28.956 0.300 1 60 12 12 LYS CE C 42.066 0.300 1 61 12 12 LYS N N 118.396 0.300 1 62 13 13 SER H H 7.797 0.030 1 63 13 13 SER HA H 4.846 0.030 1 64 13 13 SER HB2 H 3.813 0.030 1 65 13 13 SER HB3 H 3.813 0.030 1 66 13 13 SER C C 181.461 0.300 1 67 13 13 SER CA C 56.039 0.300 1 68 13 13 SER CB C 63.812 0.300 1 69 13 13 SER N N 115.583 0.300 1 70 14 14 PRO HA H 4.661 0.030 1 71 14 14 PRO HB2 H 2.165 0.030 2 72 14 14 PRO HB3 H 2.391 0.030 2 73 14 14 PRO CA C 62.535 0.300 1 74 14 14 PRO CB C 34.774 0.300 1 75 15 15 PRO HA H 4.268 0.030 1 76 15 15 PRO HB2 H 1.936 0.030 2 77 15 15 PRO HB3 H 2.186 0.030 2 78 15 15 PRO HG2 H 1.803 0.030 2 79 15 15 PRO HG3 H 1.839 0.030 2 80 15 15 PRO HD2 H 3.358 0.030 2 81 15 15 PRO HD3 H 3.519 0.030 2 82 15 15 PRO C C 175.395 0.300 1 83 15 15 PRO CA C 61.673 0.300 1 84 15 15 PRO CB C 34.461 0.300 1 85 15 15 PRO CG C 24.677 0.300 1 86 15 15 PRO CD C 50.539 0.300 1 87 16 16 TYR H H 8.663 0.030 1 88 16 16 TYR HA H 4.688 0.030 1 89 16 16 TYR HB2 H 3.159 0.030 2 90 16 16 TYR HB3 H 2.884 0.030 2 91 16 16 TYR HD1 H 6.837 0.030 1 92 16 16 TYR HD2 H 6.837 0.030 1 93 16 16 TYR HE1 H 6.628 0.030 1 94 16 16 TYR HE2 H 6.628 0.030 1 95 16 16 TYR C C 174.875 0.300 1 96 16 16 TYR CA C 56.712 0.300 1 97 16 16 TYR CB C 37.145 0.300 1 98 16 16 TYR CD1 C 132.293 0.300 1 99 16 16 TYR CD2 C 132.293 0.300 1 100 16 16 TYR CE1 C 118.115 0.300 1 101 16 16 TYR CE2 C 118.115 0.300 1 102 16 16 TYR N N 123.200 0.300 1 103 17 17 THR H H 8.404 0.030 1 104 17 17 THR HA H 5.297 0.030 1 105 17 17 THR HB H 4.019 0.030 1 106 17 17 THR HG2 H 1.243 0.030 1 107 17 17 THR C C 173.574 0.300 1 108 17 17 THR CA C 62.598 0.300 1 109 17 17 THR CB C 69.943 0.300 1 110 17 17 THR CG2 C 23.210 0.300 1 111 17 17 THR N N 121.656 0.300 1 112 18 18 ALA H H 9.853 0.030 1 113 18 18 ALA HA H 5.353 0.030 1 114 18 18 ALA HB H 1.451 0.030 1 115 18 18 ALA C C 176.596 0.300 1 116 18 18 ALA CA C 50.315 0.300 1 117 18 18 ALA CB C 21.180 0.300 1 118 18 18 ALA N N 129.529 0.300 1 119 19 19 PHE H H 9.335 0.030 1 120 19 19 PHE HA H 4.717 0.030 1 121 19 19 PHE HB2 H 2.605 0.030 2 122 19 19 PHE HB3 H 2.995 0.030 2 123 19 19 PHE HD1 H 6.954 0.030 1 124 19 19 PHE HD2 H 6.954 0.030 1 125 19 19 PHE C C 172.672 0.300 1 126 19 19 PHE CA C 57.291 0.300 1 127 19 19 PHE CB C 41.550 0.300 1 128 19 19 PHE CD1 C 131.778 0.300 1 129 19 19 PHE CD2 C 131.778 0.300 1 130 19 19 PHE N N 124.255 0.300 1 131 20 20 LEU H H 8.092 0.030 1 132 20 20 LEU HA H 5.307 0.030 1 133 20 20 LEU HB2 H 0.962 0.030 2 134 20 20 LEU HB3 H 1.268 0.030 2 135 20 20 LEU HG H 1.588 0.030 1 136 20 20 LEU HD1 H 0.812 0.030 1 137 20 20 LEU HD2 H 1.034 0.030 1 138 20 20 LEU C C 174.648 0.300 1 139 20 20 LEU CA C 51.604 0.300 1 140 20 20 LEU CB C 43.600 0.300 1 141 20 20 LEU CG C 27.114 0.300 1 142 20 20 LEU CD1 C 26.598 0.300 2 143 20 20 LEU CD2 C 25.051 0.300 2 144 20 20 LEU N N 126.153 0.300 1 145 21 21 GLY H H 9.186 0.030 1 146 21 21 GLY HA2 H 3.608 0.030 2 147 21 21 GLY HA3 H 4.653 0.030 2 148 21 21 GLY C C 173.271 0.300 1 149 21 21 GLY CA C 43.355 0.300 1 150 21 21 GLY N N 107.380 0.300 1 151 22 22 ASN H H 8.816 0.030 1 152 22 22 ASN HA H 4.380 0.030 1 153 22 22 ASN HB2 H 3.620 0.030 2 154 22 22 ASN HB3 H 2.444 0.030 2 155 22 22 ASN HD21 H 8.050 0.030 2 156 22 22 ASN HD22 H 6.745 0.030 2 157 22 22 ASN C C 173.745 0.300 1 158 22 22 ASN CA C 53.589 0.300 1 159 22 22 ASN CB C 38.335 0.300 1 160 22 22 ASN N N 117.172 0.300 1 161 22 22 ASN ND2 N 112.653 0.300 1 162 23 23 LEU H H 7.383 0.030 1 163 23 23 LEU HA H 4.056 0.030 1 164 23 23 LEU HB2 H 1.131 0.030 2 165 23 23 LEU HB3 H 0.969 0.030 2 166 23 23 LEU HG H 1.197 0.030 1 167 23 23 LEU HD1 H 0.485 0.030 1 168 23 23 LEU HD2 H 0.332 0.030 1 169 23 23 LEU C C 176.110 0.300 1 170 23 23 LEU CA C 52.778 0.300 1 171 23 23 LEU CB C 41.043 0.300 1 172 23 23 LEU CG C 26.478 0.300 1 173 23 23 LEU CD1 C 22.731 0.300 2 174 23 23 LEU CD2 C 25.825 0.300 2 175 23 23 LEU N N 111.388 0.300 1 176 24 24 PRO HA H 4.368 0.030 1 177 24 24 PRO HB2 H 2.390 0.030 2 178 24 24 PRO HB3 H 1.965 0.030 2 179 24 24 PRO HG2 H 1.881 0.030 2 180 24 24 PRO HG3 H 2.019 0.030 2 181 24 24 PRO HD2 H 3.118 0.030 2 182 24 24 PRO HD3 H 3.623 0.030 2 183 24 24 PRO C C 177.530 0.300 1 184 24 24 PRO CA C 62.410 0.300 1 185 24 24 PRO CB C 32.260 0.300 1 186 24 24 PRO CG C 27.804 0.300 1 187 24 24 PRO CD C 49.730 0.300 1 188 25 25 TYR H H 8.340 0.030 1 189 25 25 TYR HA H 4.219 0.030 1 190 25 25 TYR HB2 H 2.999 0.030 2 191 25 25 TYR HB3 H 3.176 0.030 2 192 25 25 TYR HD1 H 7.150 0.030 1 193 25 25 TYR HD2 H 7.150 0.030 1 194 25 25 TYR HE1 H 6.828 0.030 1 195 25 25 TYR HE2 H 6.828 0.030 1 196 25 25 TYR C C 175.250 0.300 1 197 25 25 TYR CA C 59.818 0.300 1 198 25 25 TYR CB C 37.683 0.300 1 199 25 25 TYR CD1 C 133.067 0.300 1 200 25 25 TYR CD2 C 133.067 0.300 1 201 25 25 TYR CE1 C 118.373 0.300 1 202 25 25 TYR CE2 C 118.373 0.300 1 203 25 25 TYR N N 118.940 0.300 1 204 26 26 ASP H H 8.068 0.030 1 205 26 26 ASP HA H 4.586 0.030 1 206 26 26 ASP HB2 H 2.205 0.030 2 207 26 26 ASP HB3 H 2.860 0.030 2 208 26 26 ASP C C 176.096 0.300 1 209 26 26 ASP CA C 52.120 0.300 1 210 26 26 ASP CB C 39.397 0.300 1 211 26 26 ASP N N 116.391 0.300 1 212 27 27 VAL H H 6.806 0.030 1 213 27 27 VAL HA H 4.043 0.030 1 214 27 27 VAL HB H 2.026 0.030 1 215 27 27 VAL HG1 H 0.749 0.030 1 216 27 27 VAL HG2 H 0.953 0.030 1 217 27 27 VAL C C 172.443 0.300 1 218 27 27 VAL CA C 62.107 0.300 1 219 27 27 VAL CB C 32.002 0.300 1 220 27 27 VAL CG1 C 21.195 0.300 2 221 27 27 VAL CG2 C 22.560 0.300 2 222 27 27 VAL N N 118.560 0.300 1 223 28 28 THR H H 7.329 0.030 1 224 28 28 THR HA H 4.626 0.030 1 225 28 28 THR HB H 4.661 0.030 1 226 28 28 THR HG2 H 1.239 0.030 1 227 28 28 THR C C 175.354 0.300 1 228 28 28 THR CA C 58.907 0.300 1 229 28 28 THR CB C 73.219 0.300 1 230 28 28 THR CG2 C 21.600 0.300 1 231 28 28 THR N N 110.755 0.300 1 232 29 29 GLU H H 9.553 0.030 1 233 29 29 GLU HA H 3.710 0.030 1 234 29 29 GLU HB2 H 1.939 0.030 2 235 29 29 GLU HB3 H 2.128 0.030 2 236 29 29 GLU HG2 H 2.332 0.030 2 237 29 29 GLU HG3 H 2.168 0.030 2 238 29 29 GLU C C 178.485 0.300 1 239 29 29 GLU CA C 61.201 0.300 1 240 29 29 GLU CB C 29.080 0.300 1 241 29 29 GLU CG C 37.128 0.300 1 242 29 29 GLU N N 121.724 0.300 1 243 30 30 GLU H H 8.583 0.030 1 244 30 30 GLU HA H 3.955 0.030 1 245 30 30 GLU HB2 H 1.993 0.030 2 246 30 30 GLU HB3 H 2.066 0.030 2 247 30 30 GLU HG2 H 2.330 0.030 2 248 30 30 GLU HG3 H 2.425 0.030 2 249 30 30 GLU C C 179.067 0.300 1 250 30 30 GLU CA C 60.305 0.300 1 251 30 30 GLU CB C 28.937 0.300 1 252 30 30 GLU CG C 36.790 0.300 1 253 30 30 GLU N N 117.505 0.300 1 254 31 31 SER H H 8.154 0.030 1 255 31 31 SER HA H 4.308 0.030 1 256 31 31 SER HB2 H 3.896 0.030 2 257 31 31 SER HB3 H 3.999 0.030 2 258 31 31 SER C C 177.630 0.300 1 259 31 31 SER CA C 61.352 0.300 1 260 31 31 SER CB C 62.577 0.300 1 261 31 31 SER N N 117.043 0.300 1 262 32 32 ILE H H 7.680 0.030 1 263 32 32 ILE HA H 3.677 0.030 1 264 32 32 ILE HB H 2.168 0.030 1 265 32 32 ILE HG12 H 1.163 0.030 2 266 32 32 ILE HG13 H 1.410 0.030 2 267 32 32 ILE HG2 H 0.984 0.030 1 268 32 32 ILE HD1 H 0.533 0.030 1 269 32 32 ILE C C 177.376 0.300 1 270 32 32 ILE CA C 63.376 0.300 1 271 32 32 ILE CB C 36.331 0.300 1 272 32 32 ILE CG1 C 28.596 0.300 1 273 32 32 ILE CG2 C 18.759 0.300 1 274 32 32 ILE CD1 C 11.970 0.300 1 275 32 32 ILE N N 123.394 0.300 1 276 33 33 LYS H H 8.267 0.030 1 277 33 33 LYS HA H 3.969 0.030 1 278 33 33 LYS HB2 H 1.943 0.030 2 279 33 33 LYS HB3 H 1.957 0.030 2 280 33 33 LYS HG2 H 1.242 0.030 1 281 33 33 LYS HG3 H 1.242 0.030 1 282 33 33 LYS HD2 H 1.706 0.030 1 283 33 33 LYS HD3 H 1.706 0.030 1 284 33 33 LYS HE2 H 2.816 0.030 1 285 33 33 LYS HE3 H 2.816 0.030 1 286 33 33 LYS C C 179.341 0.300 1 287 33 33 LYS CA C 61.190 0.300 1 288 33 33 LYS CB C 31.884 0.300 1 289 33 33 LYS CG C 27.180 0.300 1 290 33 33 LYS CD C 29.739 0.300 1 291 33 33 LYS CE C 42.102 0.300 1 292 33 33 LYS N N 119.968 0.300 1 293 34 34 GLU H H 7.925 0.030 1 294 34 34 GLU HA H 4.128 0.030 1 295 34 34 GLU HB2 H 2.096 0.030 2 296 34 34 GLU HB3 H 2.120 0.030 2 297 34 34 GLU HG2 H 2.338 0.030 1 298 34 34 GLU HG3 H 2.338 0.030 1 299 34 34 GLU C C 179.096 0.300 1 300 34 34 GLU CA C 58.763 0.300 1 301 34 34 GLU CB C 29.340 0.300 1 302 34 34 GLU CG C 36.137 0.300 1 303 34 34 GLU N N 118.236 0.300 1 304 35 35 PHE H H 7.891 0.030 1 305 35 35 PHE HA H 4.161 0.030 1 306 35 35 PHE HB2 H 3.001 0.030 1 307 35 35 PHE HB3 H 3.001 0.030 1 308 35 35 PHE HD1 H 6.127 0.030 1 309 35 35 PHE HD2 H 6.127 0.030 1 310 35 35 PHE HE1 H 6.787 0.030 1 311 35 35 PHE HE2 H 6.787 0.030 1 312 35 35 PHE C C 176.642 0.300 1 313 35 35 PHE CA C 61.128 0.300 1 314 35 35 PHE CB C 39.287 0.300 1 315 35 35 PHE CD1 C 131.262 0.300 1 316 35 35 PHE CD2 C 131.262 0.300 1 317 35 35 PHE CE1 C 131.262 0.300 1 318 35 35 PHE CE2 C 131.262 0.300 1 319 35 35 PHE N N 124.255 0.300 1 320 36 36 PHE H H 7.487 0.030 1 321 36 36 PHE HA H 4.747 0.030 1 322 36 36 PHE HB2 H 2.839 0.030 2 323 36 36 PHE HB3 H 3.848 0.030 2 324 36 36 PHE HD1 H 7.304 0.030 1 325 36 36 PHE HD2 H 7.304 0.030 1 326 36 36 PHE C C 174.347 0.300 1 327 36 36 PHE CA C 56.308 0.300 1 328 36 36 PHE CB C 38.346 0.300 1 329 36 36 PHE CD1 C 132.036 0.300 1 330 36 36 PHE CD2 C 132.036 0.300 1 331 36 36 PHE N N 114.783 0.300 1 332 37 37 ARG H H 7.071 0.030 1 333 37 37 ARG HA H 4.144 0.030 1 334 37 37 ARG HB2 H 1.881 0.030 2 335 37 37 ARG HB3 H 2.122 0.030 2 336 37 37 ARG HG2 H 1.654 0.030 1 337 37 37 ARG HG3 H 1.654 0.030 1 338 37 37 ARG HD2 H 3.275 0.030 2 339 37 37 ARG HD3 H 3.243 0.030 2 340 37 37 ARG C C 177.365 0.300 1 341 37 37 ARG CA C 58.565 0.300 1 342 37 37 ARG CB C 29.615 0.300 1 343 37 37 ARG CG C 26.325 0.300 1 344 37 37 ARG CD C 43.613 0.300 1 345 37 37 ARG N N 119.594 0.300 1 346 38 38 GLY H H 8.893 0.030 1 347 38 38 GLY HA2 H 3.707 0.030 2 348 38 38 GLY HA3 H 4.332 0.030 2 349 38 38 GLY C C 173.854 0.300 1 350 38 38 GLY CA C 45.014 0.300 1 351 38 38 GLY N N 113.291 0.300 1 352 39 39 LEU H H 8.046 0.030 1 353 39 39 LEU HA H 4.705 0.030 1 354 39 39 LEU HB2 H 1.295 0.030 2 355 39 39 LEU HB3 H 2.220 0.030 2 356 39 39 LEU HG H 1.684 0.030 1 357 39 39 LEU HD1 H 0.835 0.030 1 358 39 39 LEU HD2 H 0.847 0.030 1 359 39 39 LEU C C 177.193 0.300 1 360 39 39 LEU CA C 53.298 0.300 1 361 39 39 LEU CB C 42.947 0.300 1 362 39 39 LEU CG C 27.372 0.300 1 363 39 39 LEU CD1 C 24.877 0.300 2 364 39 39 LEU CD2 C 23.002 0.300 2 365 39 39 LEU N N 119.397 0.300 1 366 40 40 ASN H H 8.336 0.030 1 367 40 40 ASN HA H 4.998 0.030 1 368 40 40 ASN HB2 H 3.025 0.030 2 369 40 40 ASN HB3 H 2.904 0.030 2 370 40 40 ASN HD21 H 6.920 0.030 2 371 40 40 ASN HD22 H 8.184 0.030 2 372 40 40 ASN C C 174.318 0.300 1 373 40 40 ASN CA C 53.046 0.300 1 374 40 40 ASN CB C 36.974 0.300 1 375 40 40 ASN N N 118.987 0.300 1 376 40 40 ASN ND2 N 115.606 0.300 1 377 41 41 ILE H H 8.392 0.030 1 378 41 41 ILE HA H 4.198 0.030 1 379 41 41 ILE HB H 1.615 0.030 1 380 41 41 ILE HG12 H 0.628 0.030 2 381 41 41 ILE HG13 H 1.332 0.030 2 382 41 41 ILE HG2 H 0.808 0.030 1 383 41 41 ILE HD1 H 0.773 0.030 1 384 41 41 ILE C C 175.006 0.300 1 385 41 41 ILE CA C 60.427 0.300 1 386 41 41 ILE CB C 40.276 0.300 1 387 41 41 ILE CG1 C 28.610 0.300 1 388 41 41 ILE CG2 C 16.718 0.300 1 389 41 41 ILE CD1 C 15.380 0.300 1 390 41 41 ILE N N 125.732 0.300 1 391 42 42 SER H H 9.288 0.030 1 392 42 42 SER HA H 4.551 0.030 1 393 42 42 SER HB2 H 3.632 0.030 2 394 42 42 SER HB3 H 3.671 0.030 2 395 42 42 SER C C 174.923 0.300 1 396 42 42 SER CA C 58.822 0.300 1 397 42 42 SER CB C 64.236 0.300 1 398 42 42 SER N N 123.561 0.300 1 399 43 43 ALA H H 7.490 0.030 1 400 43 43 ALA HA H 4.477 0.030 1 401 43 43 ALA HB H 1.273 0.030 1 402 43 43 ALA C C 174.920 0.300 1 403 43 43 ALA CA C 52.642 0.300 1 404 43 43 ALA CB C 22.178 0.300 1 405 43 43 ALA N N 121.369 0.300 1 406 44 44 VAL H H 8.542 0.030 1 407 44 44 VAL HA H 4.695 0.030 1 408 44 44 VAL HB H 1.864 0.030 1 409 44 44 VAL HG1 H 0.904 0.030 1 410 44 44 VAL HG2 H 0.904 0.030 1 411 44 44 VAL C C 174.465 0.300 1 412 44 44 VAL CA C 61.279 0.300 1 413 44 44 VAL CB C 34.871 0.300 1 414 44 44 VAL CG1 C 22.096 0.300 1 415 44 44 VAL CG2 C 22.096 0.300 1 416 44 44 VAL N N 119.856 0.300 1 417 45 45 ARG H H 9.172 0.030 1 418 45 45 ARG HA H 4.730 0.030 1 419 45 45 ARG HB2 H 1.902 0.030 1 420 45 45 ARG HB3 H 1.902 0.030 1 421 45 45 ARG HG2 H 1.542 0.030 2 422 45 45 ARG HG3 H 1.498 0.030 2 423 45 45 ARG HD2 H 3.102 0.030 2 424 45 45 ARG HD3 H 3.223 0.030 2 425 45 45 ARG C C 174.611 0.300 1 426 45 45 ARG CA C 55.069 0.300 1 427 45 45 ARG CB C 33.137 0.300 1 428 45 45 ARG CG C 27.665 0.300 1 429 45 45 ARG CD C 43.319 0.300 1 430 45 45 ARG N N 126.305 0.300 1 431 46 46 LEU H H 8.765 0.030 1 432 46 46 LEU HA H 4.987 0.030 1 433 46 46 LEU HB2 H 1.690 0.030 2 434 46 46 LEU HB3 H 1.297 0.030 2 435 46 46 LEU HG H 1.352 0.030 1 436 46 46 LEU HD1 H 0.578 0.030 1 437 46 46 LEU HD2 H 0.640 0.030 1 438 46 46 LEU C C 173.065 0.300 1 439 46 46 LEU CA C 50.831 0.300 1 440 46 46 LEU CB C 42.898 0.300 1 441 46 46 LEU CG C 26.297 0.300 1 442 46 46 LEU CD1 C 23.613 0.300 2 443 46 46 LEU CD2 C 25.446 0.300 2 444 46 46 LEU N N 124.855 0.300 1 445 47 47 PRO HA H 4.402 0.030 1 446 47 47 PRO HB2 H 1.532 0.030 2 447 47 47 PRO HB3 H 2.437 0.030 2 448 47 47 PRO HG2 H 1.767 0.030 2 449 47 47 PRO HG3 H 2.005 0.030 2 450 47 47 PRO HD2 H 4.066 0.030 2 451 47 47 PRO HD3 H 3.620 0.030 2 452 47 47 PRO C C 176.469 0.300 1 453 47 47 PRO CA C 63.102 0.300 1 454 47 47 PRO CB C 32.989 0.300 1 455 47 47 PRO CG C 27.681 0.300 1 456 47 47 PRO CD C 50.558 0.300 1 457 48 48 ARG H H 8.664 0.030 1 458 48 48 ARG HA H 4.779 0.030 1 459 48 48 ARG HB2 H 1.955 0.030 2 460 48 48 ARG HB3 H 1.644 0.030 2 461 48 48 ARG HG2 H 1.660 0.030 2 462 48 48 ARG HG3 H 1.725 0.030 2 463 48 48 ARG HD2 H 3.093 0.030 2 464 48 48 ARG HD3 H 3.261 0.030 2 465 48 48 ARG C C 176.424 0.300 1 466 48 48 ARG CA C 54.275 0.300 1 467 48 48 ARG CB C 32.552 0.300 1 468 48 48 ARG CG C 28.145 0.300 1 469 48 48 ARG CD C 43.021 0.300 1 470 48 48 ARG N N 122.063 0.300 1 471 49 49 GLU H H 8.441 0.030 1 472 49 49 GLU HA H 4.408 0.030 1 473 49 49 GLU HB2 H 2.060 0.030 2 474 49 49 GLU HB3 H 2.039 0.030 2 475 49 49 GLU HG2 H 2.235 0.030 2 476 49 49 GLU HG3 H 2.103 0.030 2 477 49 49 GLU C C 176.744 0.300 1 478 49 49 GLU CA C 54.508 0.300 1 479 49 49 GLU CB C 29.434 0.300 1 480 49 49 GLU CG C 35.508 0.300 1 481 49 49 GLU N N 122.531 0.300 1 482 50 50 PRO HA H 4.267 0.030 1 483 50 50 PRO HB2 H 2.372 0.030 2 484 50 50 PRO HB3 H 2.011 0.030 2 485 50 50 PRO HG2 H 2.109 0.030 2 486 50 50 PRO HG3 H 2.202 0.030 2 487 50 50 PRO HD2 H 4.008 0.030 1 488 50 50 PRO HD3 H 4.008 0.030 1 489 50 50 PRO C C 178.260 0.300 1 490 50 50 PRO CA C 65.083 0.300 1 491 50 50 PRO CB C 31.833 0.300 1 492 50 50 PRO CG C 27.781 0.300 1 493 50 50 PRO CD C 50.940 0.300 1 494 51 51 SER H H 8.238 0.030 1 495 51 51 SER HA H 4.394 0.030 1 496 51 51 SER HB2 H 3.950 0.030 2 497 51 51 SER C C 174.439 0.300 1 498 51 51 SER CA C 58.910 0.300 1 499 51 51 SER CB C 63.517 0.300 1 500 51 51 SER N N 109.175 0.300 1 501 52 52 ASN H H 7.243 0.030 1 502 52 52 ASN HA H 4.981 0.030 1 503 52 52 ASN HB2 H 2.799 0.030 2 504 52 52 ASN HB3 H 2.680 0.030 2 505 52 52 ASN HD21 H 7.746 0.030 2 506 52 52 ASN HD22 H 7.001 0.030 2 507 52 52 ASN C C 171.887 0.300 1 508 52 52 ASN CA C 51.612 0.300 1 509 52 52 ASN CB C 39.021 0.300 1 510 52 52 ASN N N 116.420 0.300 1 511 52 52 ASN ND2 N 111.809 0.300 1 512 53 53 PRO HA H 4.491 0.030 1 513 53 53 PRO HB2 H 2.341 0.030 2 514 53 53 PRO HB3 H 2.028 0.030 2 515 53 53 PRO HG2 H 2.200 0.030 2 516 53 53 PRO HG3 H 2.109 0.030 2 517 53 53 PRO HD2 H 3.812 0.030 2 518 53 53 PRO HD3 H 3.553 0.030 2 519 53 53 PRO C C 176.655 0.300 1 520 53 53 PRO CA C 64.509 0.300 1 521 53 53 PRO CB C 31.958 0.300 1 522 53 53 PRO CG C 27.887 0.300 1 523 53 53 PRO CD C 50.446 0.300 1 524 54 54 GLU H H 8.127 0.030 1 525 54 54 GLU HA H 4.249 0.030 1 526 54 54 GLU HB2 H 2.154 0.030 2 527 54 54 GLU HB3 H 1.959 0.030 2 528 54 54 GLU HG2 H 2.346 0.030 2 529 54 54 GLU HG3 H 2.233 0.030 2 530 54 54 GLU C C 176.368 0.300 1 531 54 54 GLU CA C 57.127 0.300 1 532 54 54 GLU CB C 29.313 0.300 1 533 54 54 GLU CG C 36.490 0.300 1 534 54 54 GLU N N 116.659 0.300 1 535 55 55 ARG H H 8.404 0.030 1 536 55 55 ARG HA H 4.599 0.030 1 537 55 55 ARG HB2 H 1.719 0.030 2 538 55 55 ARG HB3 H 1.908 0.030 2 539 55 55 ARG HG2 H 1.625 0.030 1 540 55 55 ARG HG3 H 1.625 0.030 1 541 55 55 ARG HD2 H 3.086 0.030 2 542 55 55 ARG HD3 H 3.145 0.030 2 543 55 55 ARG C C 175.096 0.300 1 544 55 55 ARG CA C 54.750 0.300 1 545 55 55 ARG CB C 32.149 0.300 1 546 55 55 ARG CG C 27.372 0.300 1 547 55 55 ARG CD C 43.432 0.300 1 548 55 55 ARG N N 121.330 0.300 1 549 56 56 LEU H H 8.537 0.030 1 550 56 56 LEU HA H 4.411 0.030 1 551 56 56 LEU HB2 H 1.657 0.030 2 552 56 56 LEU HB3 H 1.838 0.030 2 553 56 56 LEU HG H 1.696 0.030 1 554 56 56 LEU HD1 H 0.862 0.030 1 555 56 56 LEU HD2 H 0.739 0.030 1 556 56 56 LEU C C 178.026 0.300 1 557 56 56 LEU CA C 55.138 0.300 1 558 56 56 LEU CB C 41.867 0.300 1 559 56 56 LEU CG C 26.856 0.300 1 560 56 56 LEU CD1 C 26.325 0.300 2 561 56 56 LEU CD2 C 23.550 0.300 2 562 56 56 LEU N N 123.124 0.300 1 563 57 57 LYS H H 7.952 0.030 1 564 57 57 LYS HA H 4.215 0.030 1 565 57 57 LYS HB2 H 1.103 0.030 2 566 57 57 LYS HB3 H 1.711 0.030 2 567 57 57 LYS HG2 H 1.210 0.030 2 568 57 57 LYS HG3 H 1.146 0.030 2 569 57 57 LYS HD2 H 1.721 0.030 2 570 57 57 LYS HD3 H 1.564 0.030 2 571 57 57 LYS HE2 H 3.003 0.030 2 572 57 57 LYS HE3 H 3.053 0.030 2 573 57 57 LYS C C 177.680 0.300 1 574 57 57 LYS CA C 58.322 0.300 1 575 57 57 LYS CB C 33.295 0.300 1 576 57 57 LYS CG C 26.025 0.300 1 577 57 57 LYS CD C 29.609 0.300 1 578 57 57 LYS CE C 41.861 0.300 1 579 57 57 LYS N N 117.477 0.300 1 580 58 58 GLY H H 8.110 0.030 1 581 58 58 GLY HA2 H 3.470 0.030 2 582 58 58 GLY HA3 H 4.427 0.030 2 583 58 58 GLY C C 171.626 0.300 1 584 58 58 GLY CA C 45.317 0.300 1 585 58 58 GLY N N 104.425 0.300 1 586 59 59 PHE H H 6.779 0.030 1 587 59 59 PHE HA H 5.192 0.030 1 588 59 59 PHE HB2 H 3.112 0.030 2 589 59 59 PHE HB3 H 3.252 0.030 2 590 59 59 PHE HD1 H 6.954 0.030 1 591 59 59 PHE HD2 H 6.954 0.030 1 592 59 59 PHE C C 173.814 0.300 1 593 59 59 PHE CA C 54.527 0.300 1 594 59 59 PHE CB C 41.875 0.300 1 595 59 59 PHE CD1 C 132.293 0.300 1 596 59 59 PHE CD2 C 132.293 0.300 1 597 59 59 PHE N N 114.372 0.300 1 598 60 60 GLY H H 8.978 0.030 1 599 60 60 GLY HA2 H 3.908 0.030 2 600 60 60 GLY HA3 H 4.075 0.030 2 601 60 60 GLY C C 181.336 0.300 1 602 60 60 GLY CA C 45.743 0.300 1 603 60 60 GLY N N 107.173 0.300 1 604 61 61 TYR H H 8.882 0.030 1 605 61 61 TYR HA H 5.699 0.030 1 606 61 61 TYR HB2 H 2.581 0.030 2 607 61 61 TYR HB3 H 2.896 0.030 2 608 61 61 TYR HD1 H 7.019 0.030 1 609 61 61 TYR HD2 H 7.019 0.030 1 610 61 61 TYR HE1 H 7.020 0.030 1 611 61 61 TYR HE2 H 7.020 0.030 1 612 61 61 TYR C C 174.543 0.300 1 613 61 61 TYR CA C 56.411 0.300 1 614 61 61 TYR CB C 42.839 0.300 1 615 61 61 TYR CD1 C 133.325 0.300 1 616 61 61 TYR CD2 C 133.325 0.300 1 617 61 61 TYR CE1 C 117.857 0.300 1 618 61 61 TYR CE2 C 117.857 0.300 1 619 61 61 TYR N N 114.975 0.300 1 620 62 62 ALA H H 9.014 0.030 1 621 62 62 ALA HA H 5.063 0.030 1 622 62 62 ALA HB H 0.999 0.030 1 623 62 62 ALA C C 173.735 0.300 1 624 62 62 ALA CA C 50.157 0.300 1 625 62 62 ALA CB C 22.089 0.300 1 626 62 62 ALA N N 123.123 0.300 1 627 63 63 GLU H H 8.707 0.030 1 628 63 63 GLU HA H 4.864 0.030 1 629 63 63 GLU HB2 H 1.803 0.030 1 630 63 63 GLU HB3 H 1.803 0.030 1 631 63 63 GLU HG2 H 2.239 0.030 2 632 63 63 GLU HG3 H 2.124 0.030 2 633 63 63 GLU C C 174.921 0.300 1 634 63 63 GLU CA C 54.645 0.300 1 635 63 63 GLU CB C 31.481 0.300 1 636 63 63 GLU CG C 36.058 0.300 1 637 63 63 GLU N N 122.485 0.300 1 638 64 64 PHE H H 9.025 0.030 1 639 64 64 PHE HA H 5.181 0.030 1 640 64 64 PHE HB2 H 2.994 0.030 2 641 64 64 PHE HB3 H 3.256 0.030 2 642 64 64 PHE HD1 H 7.095 0.030 1 643 64 64 PHE HD2 H 7.095 0.030 1 644 64 64 PHE HE1 H 6.663 0.030 1 645 64 64 PHE HE2 H 6.663 0.030 1 646 64 64 PHE C C 176.332 0.300 1 647 64 64 PHE CA C 57.174 0.300 1 648 64 64 PHE CB C 42.066 0.300 1 649 64 64 PHE CD1 C 131.778 0.300 1 650 64 64 PHE CD2 C 131.778 0.300 1 651 64 64 PHE CE1 C 130.489 0.300 1 652 64 64 PHE CE2 C 130.489 0.300 1 653 64 64 PHE N N 121.568 0.300 1 654 65 65 GLU H H 8.845 0.030 1 655 65 65 GLU HA H 4.308 0.030 1 656 65 65 GLU HB2 H 2.226 0.030 2 657 65 65 GLU HB3 H 1.959 0.030 2 658 65 65 GLU HG2 H 2.266 0.030 2 659 65 65 GLU HG3 H 2.289 0.030 2 660 65 65 GLU CA C 57.999 0.300 1 661 65 65 GLU CB C 31.570 0.300 1 662 65 65 GLU CG C 36.840 0.300 1 663 65 65 GLU N N 118.070 0.300 1 664 66 66 ASP H H 7.529 0.030 1 665 66 66 ASP HA H 4.667 0.030 1 666 66 66 ASP HB2 H 2.869 0.030 2 667 66 66 ASP HB3 H 2.760 0.030 2 668 66 66 ASP C C 173.850 0.300 1 669 66 66 ASP CA C 51.612 0.300 1 670 66 66 ASP CB C 43.734 0.300 1 671 66 66 ASP N N 111.515 0.300 1 672 67 67 LEU H H 8.019 0.030 1 673 67 67 LEU HA H 3.226 0.030 1 674 67 67 LEU HB2 H 1.485 0.030 2 675 67 67 LEU HB3 H 1.018 0.030 2 676 67 67 LEU HG H 1.385 0.030 1 677 67 67 LEU HD1 H 0.897 0.030 1 678 67 67 LEU HD2 H 0.893 0.030 1 679 67 67 LEU C C 178.120 0.300 1 680 67 67 LEU CA C 57.133 0.300 1 681 67 67 LEU CB C 41.230 0.300 1 682 67 67 LEU CG C 26.856 0.300 1 683 67 67 LEU CD1 C 25.741 0.300 2 684 67 67 LEU CD2 C 23.505 0.300 2 685 67 67 LEU N N 121.712 0.300 1 686 68 68 ASP H H 8.175 0.030 1 687 68 68 ASP HA H 4.185 0.030 1 688 68 68 ASP HB2 H 2.531 0.030 1 689 68 68 ASP HB3 H 2.531 0.030 1 690 68 68 ASP CA C 57.885 0.300 1 691 68 68 ASP CB C 40.148 0.300 1 692 68 68 ASP N N 117.610 0.300 1 693 69 69 SER HA H 4.049 0.030 1 694 69 69 SER HB2 H 4.126 0.030 2 695 69 69 SER HB3 H 3.680 0.030 2 696 69 69 SER C C 174.152 0.300 1 697 69 69 SER CA C 63.115 0.300 1 698 69 69 SER CB C 62.681 0.300 1 699 70 70 LEU H H 6.878 0.030 1 700 70 70 LEU HA H 3.202 0.030 1 701 70 70 LEU HB2 H 1.313 0.030 2 702 70 70 LEU HB3 H 2.057 0.030 2 703 70 70 LEU HG H 1.386 0.030 1 704 70 70 LEU HD1 H 1.056 0.030 1 705 70 70 LEU HD2 H 0.895 0.030 1 706 70 70 LEU C C 177.146 0.300 1 707 70 70 LEU CA C 57.734 0.300 1 708 70 70 LEU CB C 40.863 0.300 1 709 70 70 LEU CG C 26.894 0.300 1 710 70 70 LEU CD1 C 26.750 0.300 2 711 70 70 LEU CD2 C 23.430 0.300 2 712 70 70 LEU N N 121.848 0.300 1 713 71 71 LEU H H 8.505 0.030 1 714 71 71 LEU HA H 3.871 0.030 1 715 71 71 LEU HB2 H 1.435 0.030 2 716 71 71 LEU HB3 H 1.856 0.030 2 717 71 71 LEU HG H 1.698 0.030 1 718 71 71 LEU HD1 H 0.860 0.030 1 719 71 71 LEU HD2 H 0.830 0.030 1 720 71 71 LEU C C 180.978 0.300 1 721 71 71 LEU CA C 58.355 0.300 1 722 71 71 LEU CB C 40.806 0.300 1 723 71 71 LEU CG C 26.898 0.300 1 724 71 71 LEU CD1 C 25.261 0.300 2 725 71 71 LEU CD2 C 23.004 0.300 2 726 71 71 LEU N N 117.513 0.300 1 727 72 72 SER H H 8.041 0.030 1 728 72 72 SER HA H 4.153 0.030 1 729 72 72 SER HB2 H 3.846 0.030 2 730 72 72 SER HB3 H 3.928 0.030 2 731 72 72 SER C C 176.971 0.300 1 732 72 72 SER CA C 62.089 0.300 1 733 72 72 SER CB C 63.300 0.300 1 734 72 72 SER N N 116.236 0.300 1 735 73 73 ALA H H 8.099 0.030 1 736 73 73 ALA HA H 3.887 0.030 1 737 73 73 ALA HB H 0.862 0.030 1 738 73 73 ALA C C 179.592 0.300 1 739 73 73 ALA CA C 55.480 0.300 1 740 73 73 ALA CB C 19.073 0.300 1 741 73 73 ALA N N 127.208 0.300 1 742 74 74 LEU H H 7.974 0.030 1 743 74 74 LEU HA H 3.876 0.030 1 744 74 74 LEU HB2 H 1.586 0.030 2 745 74 74 LEU HB3 H 1.945 0.030 2 746 74 74 LEU HG H 2.016 0.030 1 747 74 74 LEU HD1 H 0.881 0.030 1 748 74 74 LEU HD2 H 0.824 0.030 1 749 74 74 LEU C C 180.400 0.300 1 750 74 74 LEU CA C 57.686 0.300 1 751 74 74 LEU CB C 40.971 0.300 1 752 74 74 LEU CG C 26.598 0.300 1 753 74 74 LEU CD1 C 25.895 0.300 2 754 74 74 LEU CD2 C 22.230 0.300 2 755 74 74 LEU N N 115.124 0.300 1 756 75 75 SER H H 7.562 0.030 1 757 75 75 SER HA H 4.463 0.030 1 758 75 75 SER HB2 H 4.056 0.030 2 759 75 75 SER HB3 H 4.114 0.030 2 760 75 75 SER C C 174.517 0.300 1 761 75 75 SER CA C 60.786 0.300 1 762 75 75 SER CB C 63.364 0.300 1 763 75 75 SER N N 114.610 0.300 1 764 76 76 LEU H H 7.845 0.030 1 765 76 76 LEU HA H 4.372 0.030 1 766 76 76 LEU HB2 H 1.752 0.030 2 767 76 76 LEU HB3 H 2.092 0.030 2 768 76 76 LEU HG H 1.624 0.030 1 769 76 76 LEU HD1 H 0.662 0.030 1 770 76 76 LEU HD2 H 0.634 0.030 1 771 76 76 LEU C C 175.465 0.300 1 772 76 76 LEU CA C 54.793 0.300 1 773 76 76 LEU CB C 40.705 0.300 1 774 76 76 LEU CG C 27.048 0.300 1 775 76 76 LEU CD1 C 25.731 0.300 2 776 76 76 LEU CD2 C 22.740 0.300 2 777 76 76 LEU N N 122.222 0.300 1 778 77 77 ASN H H 7.268 0.030 1 779 77 77 ASN HA H 4.405 0.030 1 780 77 77 ASN HB2 H 2.881 0.030 2 781 77 77 ASN HB3 H 3.406 0.030 2 782 77 77 ASN HD21 H 7.126 0.030 2 783 77 77 ASN HD22 H 7.969 0.030 2 784 77 77 ASN C C 175.289 0.300 1 785 77 77 ASN CA C 56.676 0.300 1 786 77 77 ASN CB C 39.800 0.300 1 787 77 77 ASN N N 115.804 0.300 1 788 77 77 ASN ND2 N 116.083 0.300 1 789 78 78 GLU H H 9.224 0.030 1 790 78 78 GLU HA H 3.753 0.030 1 791 78 78 GLU HB2 H 2.372 0.030 1 792 78 78 GLU HB3 H 2.372 0.030 1 793 78 78 GLU HG2 H 2.124 0.030 2 794 78 78 GLU HG3 H 2.344 0.030 2 795 78 78 GLU C C 175.995 0.300 1 796 78 78 GLU CA C 59.626 0.300 1 797 78 78 GLU CB C 26.932 0.300 1 798 78 78 GLU CG C 37.312 0.300 1 799 78 78 GLU N N 120.458 0.300 1 800 79 79 GLU H H 8.088 0.030 1 801 79 79 GLU HA H 4.509 0.030 1 802 79 79 GLU HB2 H 2.333 0.030 2 803 79 79 GLU HB3 H 2.377 0.030 2 804 79 79 GLU HG2 H 2.200 0.030 2 805 79 79 GLU HG3 H 2.427 0.030 2 806 79 79 GLU C C 175.558 0.300 1 807 79 79 GLU CA C 56.457 0.300 1 808 79 79 GLU CB C 29.566 0.300 1 809 79 79 GLU CG C 37.062 0.300 1 810 79 79 GLU N N 118.858 0.300 1 811 80 80 SER H H 8.520 0.030 1 812 80 80 SER HA H 5.081 0.030 1 813 80 80 SER HB2 H 3.688 0.030 1 814 80 80 SER HB3 H 3.688 0.030 1 815 80 80 SER C C 174.052 0.300 1 816 80 80 SER CA C 59.093 0.300 1 817 80 80 SER CB C 64.859 0.300 1 818 80 80 SER N N 114.092 0.300 1 819 81 81 LEU H H 8.782 0.030 1 820 81 81 LEU HA H 4.410 0.030 1 821 81 81 LEU HB2 H 0.857 0.030 2 822 81 81 LEU HB3 H 1.429 0.030 2 823 81 81 LEU HG H 1.297 0.030 1 824 81 81 LEU HD1 H 0.543 0.030 1 825 81 81 LEU HD2 H 0.429 0.030 1 826 81 81 LEU C C 176.147 0.300 1 827 81 81 LEU CA C 54.975 0.300 1 828 81 81 LEU CB C 43.642 0.300 1 829 81 81 LEU CG C 27.829 0.300 1 830 81 81 LEU CD1 C 24.433 0.300 2 831 81 81 LEU CD2 C 25.373 0.300 2 832 81 81 LEU N N 127.898 0.300 1 833 82 82 GLY H H 8.811 0.030 1 834 82 82 GLY HA2 H 3.655 0.030 2 835 82 82 GLY HA3 H 3.836 0.030 2 836 82 82 GLY C C 175.156 0.300 1 837 82 82 GLY CA C 47.325 0.300 1 838 82 82 GLY N N 114.626 0.300 1 839 83 83 ASN H H 8.558 0.030 1 840 83 83 ASN HA H 4.551 0.030 1 841 83 83 ASN HB2 H 2.908 0.030 2 842 83 83 ASN HB3 H 3.011 0.030 2 843 83 83 ASN C C 174.484 0.300 1 844 83 83 ASN CA C 53.318 0.300 1 845 83 83 ASN CB C 38.025 0.300 1 846 83 83 ASN N N 119.050 0.300 1 847 84 84 LYS H H 7.689 0.030 1 848 84 84 LYS HA H 4.530 0.030 1 849 84 84 LYS HB2 H 1.744 0.030 2 850 84 84 LYS HB3 H 1.913 0.030 2 851 84 84 LYS HG2 H 1.350 0.030 2 852 84 84 LYS HG3 H 1.229 0.030 2 853 84 84 LYS HD2 H 1.512 0.030 2 854 84 84 LYS HD3 H 1.449 0.030 2 855 84 84 LYS HE2 H 2.831 0.030 1 856 84 84 LYS HE3 H 2.831 0.030 1 857 84 84 LYS C C 174.887 0.300 1 858 84 84 LYS CA C 54.298 0.300 1 859 84 84 LYS CB C 35.784 0.300 1 860 84 84 LYS CG C 24.335 0.300 1 861 84 84 LYS CD C 28.502 0.300 1 862 84 84 LYS CE C 42.438 0.300 1 863 84 84 LYS N N 119.455 0.300 1 864 85 85 ARG H H 8.189 0.030 1 865 85 85 ARG HA H 4.394 0.030 1 866 85 85 ARG HB2 H 1.444 0.030 2 867 85 85 ARG HB3 H 1.713 0.030 2 868 85 85 ARG HG2 H 1.651 0.030 1 869 85 85 ARG HG3 H 1.651 0.030 1 870 85 85 ARG HD2 H 3.199 0.030 1 871 85 85 ARG HD3 H 3.199 0.030 1 872 85 85 ARG C C 176.402 0.300 1 873 85 85 ARG CA C 55.656 0.300 1 874 85 85 ARG CB C 29.714 0.300 1 875 85 85 ARG CG C 27.499 0.300 1 876 85 85 ARG CD C 43.345 0.300 1 877 85 85 ARG N N 120.809 0.300 1 878 86 86 ILE H H 8.410 0.030 1 879 86 86 ILE HA H 4.336 0.030 1 880 86 86 ILE HB H 1.890 0.030 1 881 86 86 ILE HG12 H 0.880 0.030 2 882 86 86 ILE HG13 H 1.129 0.030 2 883 86 86 ILE HG2 H 0.717 0.030 1 884 86 86 ILE HD1 H 0.215 0.030 1 885 86 86 ILE C C 174.905 0.300 1 886 86 86 ILE CA C 60.400 0.300 1 887 86 86 ILE CB C 38.442 0.300 1 888 86 86 ILE CG1 C 26.474 0.300 1 889 86 86 ILE CG2 C 18.060 0.300 1 890 86 86 ILE CD1 C 12.870 0.300 1 891 86 86 ILE N N 125.717 0.300 1 892 87 87 ARG H H 8.094 0.030 1 893 87 87 ARG HA H 5.068 0.030 1 894 87 87 ARG HB2 H 1.674 0.030 1 895 87 87 ARG HB3 H 1.674 0.030 1 896 87 87 ARG HG2 H 1.632 0.030 2 897 87 87 ARG HG3 H 1.724 0.030 2 898 87 87 ARG HD2 H 3.390 0.030 2 899 87 87 ARG HD3 H 3.307 0.030 2 900 87 87 ARG C C 175.463 0.300 1 901 87 87 ARG CA C 53.704 0.300 1 902 87 87 ARG CB C 31.742 0.300 1 903 87 87 ARG CG C 27.602 0.300 1 904 87 87 ARG CD C 43.246 0.300 1 905 87 87 ARG N N 124.579 0.300 1 906 88 88 VAL H H 9.037 0.030 1 907 88 88 VAL HA H 5.160 0.030 1 908 88 88 VAL HB H 2.008 0.030 1 909 88 88 VAL HG1 H 1.099 0.030 1 910 88 88 VAL HG2 H 1.003 0.030 1 911 88 88 VAL C C 174.257 0.300 1 912 88 88 VAL CA C 61.451 0.300 1 913 88 88 VAL CB C 34.307 0.300 1 914 88 88 VAL CG1 C 20.668 0.300 2 915 88 88 VAL CG2 C 22.216 0.300 2 916 88 88 VAL N N 124.791 0.300 1 917 89 89 ASP H H 9.166 0.030 1 918 89 89 ASP HA H 5.133 0.030 1 919 89 89 ASP HB2 H 2.554 0.030 2 920 89 89 ASP HB3 H 2.792 0.030 2 921 89 89 ASP C C 175.626 0.300 1 922 89 89 ASP CA C 51.885 0.300 1 923 89 89 ASP CB C 45.444 0.300 1 924 89 89 ASP N N 125.671 0.300 1 925 90 90 VAL H H 9.349 0.030 1 926 90 90 VAL HA H 4.115 0.030 1 927 90 90 VAL HB H 2.130 0.030 1 928 90 90 VAL HG1 H 1.139 0.030 1 929 90 90 VAL HG2 H 1.199 0.030 1 930 90 90 VAL C C 176.223 0.300 1 931 90 90 VAL CA C 64.068 0.300 1 932 90 90 VAL CB C 32.724 0.300 1 933 90 90 VAL CG1 C 22.913 0.300 2 934 90 90 VAL CG2 C 22.216 0.300 2 935 90 90 VAL N N 121.973 0.300 1 936 91 91 ALA H H 8.366 0.030 1 937 91 91 ALA HA H 4.560 0.030 1 938 91 91 ALA HB H 1.486 0.030 1 939 91 91 ALA C C 176.667 0.300 1 940 91 91 ALA CA C 52.292 0.300 1 941 91 91 ALA CB C 19.593 0.300 1 942 91 91 ALA N N 128.705 0.300 1 943 92 92 ASP H H 8.634 0.030 1 944 92 92 ASP HA H 4.552 0.030 1 945 92 92 ASP HB2 H 2.609 0.030 2 946 92 92 ASP HB3 H 2.673 0.030 2 947 92 92 ASP C C 176.431 0.300 1 948 92 92 ASP CA C 54.190 0.300 1 949 92 92 ASP CB C 41.335 0.300 1 950 92 92 ASP N N 121.578 0.300 1 951 93 93 GLN H H 8.402 0.030 1 952 93 93 GLN HA H 4.255 0.030 1 953 93 93 GLN HB2 H 1.946 0.030 2 954 93 93 GLN HB3 H 2.153 0.030 2 955 93 93 GLN HG2 H 2.332 0.030 1 956 93 93 GLN HG3 H 2.332 0.030 1 957 93 93 GLN HE21 H 7.571 0.030 2 958 93 93 GLN HE22 H 6.800 0.030 2 959 93 93 GLN C C 175.933 0.300 1 960 93 93 GLN CA C 56.101 0.300 1 961 93 93 GLN CB C 29.434 0.300 1 962 93 93 GLN CG C 33.878 0.300 1 963 93 93 GLN N N 121.366 0.300 1 964 93 93 GLN NE2 N 112.653 0.300 1 965 94 94 ALA H H 8.314 0.030 1 966 94 94 ALA HA H 4.198 0.030 1 967 94 94 ALA HB H 1.325 0.030 1 968 94 94 ALA C C 177.773 0.300 1 969 94 94 ALA CA C 52.802 0.300 1 970 94 94 ALA CB C 19.083 0.300 1 971 94 94 ALA N N 124.265 0.300 1 972 95 95 GLN H H 8.138 0.030 1 973 95 95 GLN HA H 4.231 0.030 1 974 95 95 GLN HB2 H 1.921 0.030 2 975 95 95 GLN HB3 H 2.028 0.030 2 976 95 95 GLN HG2 H 2.271 0.030 1 977 95 95 GLN HG3 H 2.271 0.030 1 978 95 95 GLN HE21 H 7.488 0.030 2 979 95 95 GLN HE22 H 6.747 0.030 2 980 95 95 GLN C C 175.746 0.300 1 981 95 95 GLN CA C 55.870 0.300 1 982 95 95 GLN CB C 29.312 0.300 1 983 95 95 GLN CG C 33.696 0.300 1 984 95 95 GLN N N 118.747 0.300 1 985 95 95 GLN NE2 N 112.231 0.300 1 986 96 96 ASP H H 8.288 0.030 1 987 96 96 ASP HA H 4.521 0.030 1 988 96 96 ASP HB2 H 2.605 0.030 2 989 96 96 ASP HB3 H 2.673 0.030 2 990 96 96 ASP C C 176.333 0.300 1 991 96 96 ASP CA C 54.394 0.300 1 992 96 96 ASP CB C 41.084 0.300 1 993 96 96 ASP N N 121.298 0.300 1 994 97 97 LYS H H 8.174 0.030 1 995 97 97 LYS HA H 4.262 0.030 1 996 97 97 LYS HB2 H 1.737 0.030 2 997 97 97 LYS HB3 H 1.814 0.030 2 998 97 97 LYS HG2 H 1.347 0.030 2 999 97 97 LYS HG3 H 1.394 0.030 2 1000 97 97 LYS HD2 H 1.612 0.030 1 1001 97 97 LYS HD3 H 1.612 0.030 1 1002 97 97 LYS HE2 H 2.955 0.030 1 1003 97 97 LYS HE3 H 2.955 0.030 1 1004 97 97 LYS C C 176.431 0.300 1 1005 97 97 LYS CA C 56.611 0.300 1 1006 97 97 LYS CB C 32.949 0.300 1 1007 97 97 LYS CG C 24.471 0.300 1 1008 97 97 LYS CD C 28.982 0.300 1 1009 97 97 LYS CE C 42.115 0.300 1 1010 97 97 LYS N N 121.424 0.300 1 1011 98 98 ASP H H 8.340 0.030 1 1012 98 98 ASP HA H 4.645 0.030 1 1013 98 98 ASP HB2 H 2.637 0.030 2 1014 98 98 ASP HB3 H 2.750 0.030 2 1015 98 98 ASP C C 176.325 0.300 1 1016 98 98 ASP CA C 54.672 0.300 1 1017 98 98 ASP CB C 41.292 0.300 1 1018 98 98 ASP N N 120.840 0.300 1 1019 99 99 SER H H 8.147 0.030 1 1020 99 99 SER HA H 4.451 0.030 1 1021 99 99 SER HB2 H 3.867 0.030 2 1022 99 99 SER C C 174.665 0.300 1 1023 99 99 SER CA C 58.581 0.300 1 1024 99 99 SER CB C 63.987 0.300 1 1025 99 99 SER N N 115.948 0.300 1 1026 100 100 GLY H H 8.243 0.030 1 1027 100 100 GLY HA2 H 4.067 0.030 2 1028 100 100 GLY HA3 H 4.100 0.030 2 1029 100 100 GLY C C 171.802 0.300 1 1030 100 100 GLY CA C 44.694 0.300 1 1031 100 100 GLY N N 110.755 0.300 1 1032 101 101 PRO HA H 4.464 0.030 1 1033 101 101 PRO HB2 H 1.957 0.030 2 1034 101 101 PRO HB3 H 2.261 0.030 2 1035 101 101 PRO HG2 H 1.980 0.030 1 1036 101 101 PRO HG3 H 1.980 0.030 1 1037 101 101 PRO HD2 H 3.586 0.030 1 1038 101 101 PRO HD3 H 3.586 0.030 1 1039 101 101 PRO C C 177.393 0.300 1 1040 101 101 PRO CA C 63.278 0.300 1 1041 101 101 PRO CB C 32.270 0.300 1 1042 101 101 PRO CG C 27.176 0.300 1 1043 101 101 PRO CD C 49.734 0.300 1 1044 102 102 SER H H 8.504 0.030 1 1045 102 102 SER HA H 4.483 0.030 1 1046 102 102 SER HB2 H 3.887 0.030 1 1047 102 102 SER HB3 H 3.887 0.030 1 1048 102 102 SER C C 174.682 0.300 1 1049 102 102 SER CA C 58.397 0.300 1 1050 102 102 SER CB C 63.845 0.300 1 1051 102 102 SER N N 116.427 0.300 1 1052 103 103 SER H H 8.326 0.030 1 1053 103 103 SER HA H 4.480 0.030 1 1054 103 103 SER HB2 H 3.876 0.030 1 1055 103 103 SER HB3 H 3.876 0.030 1 1056 103 103 SER C C 173.923 0.300 1 1057 103 103 SER CA C 58.434 0.300 1 1058 103 103 SER CB C 64.002 0.300 1 1059 103 103 SER N N 117.891 0.300 1 1060 104 104 GLY H H 8.036 0.030 1 1061 104 104 GLY C C 178.979 0.300 1 1062 104 104 GLY CA C 46.203 0.300 1 1063 104 104 GLY N N 116.843 0.300 1 stop_ save_