Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 172.92 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) 1.P9 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> P 0.72 C 0.22 R 0.02 I 0.01 K 0.01 C Shift Assignments>> C :: 177.04 CA :: 63.44 CB :: 32.19 CG :: 27.489 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.391 HB2 :: 2.288 HB3 :: 1.935 HG2 :: 1.954 HG3 :: 1.954 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 108.89(A) Ave N Shift Values>> N :: 134.16(6.62) 1.M10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.19 C 0.16 Q 0.15 R 0.1 H 0.09 E 0.04 V 0.01 C Shift Assignments>> C :: 176.42 CA :: 55.72 CB :: 32.86 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.71 HA :: 4.495 HB2 :: 2.584 HB3 :: 2.584 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.45 Ave N Shift Values>> N :: 120.09(3.57) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.33 CA :: 58.41 CB :: 64.07 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.27 HA :: 4.431 HB2 :: 3.846 HB3 :: 3.767 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.16 Ave N Shift Values>> N :: 116.28(3.52) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.21 F 0.12 N 0.1 Y 0.09 K 0.09 C 0.06 C Shift Assignments>> C :: 175.87 CA :: 54.83 CB :: 40.9 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.32 HA :: 4.521 HB2 :: 2.566 HB3 :: 2.46 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.93 Ave N Shift Values>> N :: 120.65(3.86) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 C 0.17 I 0.1 D 0.04 L 0.03 N 0.02 E 0.02 C Shift Assignments>> C :: 175.3 CA :: 57.69 CB :: 38.89 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.9 HA :: 4.528 HB2 :: 3.057 HB3 :: 2.87 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.81 Ave N Shift Values>> N :: 120.52(4.2) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 K 0.12 N 0.09 F 0.08 Y 0.06 C 0.05 R 0.02 HN Overlap>> 1.L123 1.L123 C Shift Assignments>> C :: 175.45 CA :: 54.22 CB :: 41.32 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.13 HA :: 4.598 HB2 :: 2.648 HB3 :: 2.549 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.61 Ave N Shift Values>> N :: 120.65(3.86) 1.I15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.61 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.92 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.18 Ave N Shift Values>> N :: 121.46(4.28) 1.P16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> P 0.71 C 0.23 R 0.02 K 0.01 I 0.01 C Shift Assignments>> C :: 177.16 CA :: 63.31 CB :: 32.19 CG :: 27.534 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.493 HB2 :: 2.272 HB3 :: 1.914 HG2 :: 1.979 HG3 :: 1.979 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 111.5(S) Ave N Shift Values>> N :: 134.16(6.62) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.0 CA :: 61.89 CB :: 69.87 CG2 :: 21.56 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.28 HA :: 4.386 HB :: 4.287 HG21 :: 1.22 HG22 :: 1.22 HG23 :: 1.22 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.44 Ave N Shift Values>> N :: 115.42(4.75) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.78 CA :: 62.29 CB :: 69.67 CG2 :: 21.794 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.09 HA :: 4.284 HB :: 4.255 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.18 Ave N Shift Values>> N :: 115.42(4.75) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.09 K 0.05 Q 0.04 I 0.03 HN Overlap>> 1.E93 1.E93 C Shift Assignments>> C :: 176.19 CA :: 57.06 CB :: 30.29 CG :: 36.357 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.38 HA :: 4.236 HB2 :: 2.031 HB3 :: 1.92 HG2 :: 2.235 HG3 :: 2.235 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.54 Ave N Shift Values>> N :: 120.67(3.48) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.18 C 0.09 Y 0.08 F 0.08 L 0.05 HN Overlap>> 1.M27 1.N122 1.N79 1.M27 1.N122 1.N79 1.N60 1.N60 C Shift Assignments>> C :: 175.19 CA :: 53.48 CB :: 38.82 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.34 HA :: 4.641 HB2 :: 2.757 HB3 :: 2.757 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.23 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.23 G 0.01 A 0.01 HN Overlap>> 1.V95 1.V95 1.V85 1.V85 C Shift Assignments>> C :: 177.07 CA :: 55.66 CB :: 42.35 CD1 :: 24.909 CD2 :: 23.418 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.09 HA :: 4.197 HB2 :: 1.471 HB3 :: 1.337 HD11 :: 0.851 HD12 :: 0.851 HD13 :: 0.851 HD21 :: 0.783 HD22 :: 0.783 HD23 :: 0.783 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.11 Ave N Shift Values>> N :: 121.86(3.9) 1.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.18 I 0.12 D 0.03 L 0.02 E 0.02 N 0.01 HN Overlap>> 1.Q72 1.Q72 C Shift Assignments>> C :: 175.7 CA :: 58.03 CB :: 38.74 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.04 HA :: 4.508 HB2 :: 2.933 HB3 :: 2.848 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 120.52(4.2) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.29 C 0.14 I 0.09 D 0.06 L 0.06 N 0.01 HN Overlap>> 1.V76 1.V76 1.L105 1.K104 1.V28 1.L105 1.K104 1.V28 C Shift Assignments>> C :: 175.53 CA :: 57.87 CB :: 39.7 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.03 HA :: 4.551 HB2 :: 3.078 HB3 :: 3.003 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.15 Ave N Shift Values>> N :: 120.45(4.18) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.24 E 0.07 M 0.05 R 0.03 HN Overlap>> 1.K33 1.K33 C Shift Assignments>> C :: 176.19 CA :: 56.21 CB :: 29.18 CG :: 33.833 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.28 HA :: 4.183 HB2 :: 2.069 HB3 :: 1.904 HG2 :: 2.236 HG3 :: 2.236 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.22 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.77 CA :: 45.44 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.93 HA2 :: 3.913 HA3 :: 3.832 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.94 Ave N Shift Values>> N :: 109.67(3.87) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.07 C 0.02 HN Overlap>> 1.L54 1.L54 C Shift Assignments>> C :: 177.65 CA :: 52.51 CB :: 19.51 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.07 HA :: 4.321 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.33 Ave N Shift Values>> N :: 123.23(3.54) 1.M27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.19 C 0.16 Q 0.14 R 0.1 H 0.09 E 0.04 V 0.01 HN Overlap>> 1.N122 1.N79 1.N20 1.N60 1.N122 1.N79 1.N20 1.N60 C Shift Assignments>> C :: 176.31 CA :: 55.67 CB :: 32.83 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.3 HA :: 4.437 HB2 :: 2.038 HB3 :: 2.038 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 120.09(3.57) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 HN Overlap>> 1.L119 1.F23 1.K104 1.V53 1.L119 1.F23 1.K104 1.V53 C Shift Assignments>> C :: 176.14 CA :: 62.33 CB :: 32.84 CG1 :: 21.213 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.07 HA :: 4.133 HB :: 2.062 HG11 :: 0.922 HG12 :: 0.922 HG13 :: 0.922 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.05 Ave N Shift Values>> N :: 121.14(4.54) 1.S29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.N31 1.N45 1.N128 1.N31 1.N45 1.N128 C Shift Assignments>> C :: 174.44 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.33 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 116.28(3.52) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.17 C 0.09 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> C :: 175.02 CA :: 53.42 CB :: 38.81 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.701 HB2 :: 2.798 HB3 :: 2.798 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.95 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.16 C 0.1 Y 0.08 F 0.08 L 0.04 HN Overlap>> 1.S29 1.S29 1.N45 1.N45 C Shift Assignments>> C :: 175.21 CA :: 53.44 CB :: 38.72 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.36 HA :: 4.671 HB2 :: 2.83 HB3 :: 2.755 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.86 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 K 0.12 M 0.02 Q 0.01 HN Overlap>> 1.E61 1.E61 1.V53 1.V53 C Shift Assignments>> C :: 176.31 CA :: 56.36 CB :: 30.7 CG :: 27.251 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2 HA :: 4.299 HB2 :: 1.856 HB3 :: 1.756 HG2 :: 1.604 HG3 :: 1.604 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.01 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Q24 1.Q24 H Shift Assignments>> H :: 8.32 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.3 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 C 0.19 M 0.17 R 0.11 Q 0.1 H 0.1 E 0.06 V 0.04 HN Overlap>> 1.R113 1.R127 1.K63 1.L69 1.R113 1.R127 1.K63 1.L69 C Shift Assignments>> C :: 177.11 CA :: 57.38 CB :: 32.58 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.0 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.45 Ave N Shift Values>> N :: 120.17(4.64) 1.S35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.I106 1.F67 1.L64 1.I106 1.F67 1.L64 H Shift Assignments>> H :: 7.94 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.81 Ave N Shift Values>> N :: 116.28(3.52) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 172.54 CA :: 58.354 CB :: 63.975 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.496 HB2 :: 3.865 HB3 :: 3.865 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.P37 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> P 0.72 C 0.22 R 0.02 C Shift Assignments>> C :: 176.85 CA :: 63.4 CB :: 32.13 CG :: 27.374 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.432 HB2 :: 2.279 HB3 :: 1.912 HG2 :: 2.007 HG3 :: 2.007 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 109.76(A) Ave N Shift Values>> N :: 134.16(6.62) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 K 0.11 M 0.02 Q 0.02 HN Overlap>> 1.E102 1.E102 C Shift Assignments>> C :: 176.56 CA :: 56.21 CB :: 30.9 CG :: 27.105 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.41 HA :: 4.368 HB2 :: 1.853 HB3 :: 1.761 HG2 :: 1.65 HG3 :: 1.65 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.21 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.61 CA :: 61.81 CB :: 69.93 CG2 :: 21.802 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.19 HA :: 4.33 HB :: 4.222 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.75 Ave N Shift Values>> N :: 115.42(4.75) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 K 0.18 D 0.16 R 0.15 F 0.08 Y 0.05 C 0.04 N 0.01 C Shift Assignments>> C :: 177.27 CA :: 55.47 CB :: 42.36 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.35 HA :: 4.348 HB2 :: 1.613 HB3 :: 1.613 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.33 Ave N Shift Values>> N :: 121.86(3.9) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.12 F 0.1 N 0.08 Y 0.08 C 0.05 R 0.01 HN Overlap>> 1.E80 1.E80 C Shift Assignments>> C :: 176.53 CA :: 54.7 CB :: 41.21 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.34 HA :: 4.595 HB2 :: 2.714 HB3 :: 2.635 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.09 Ave N Shift Values>> N :: 120.65(3.86) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1 CA :: 59.04 CB :: 63.8 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.21 HA :: 4.377 HB2 :: 3.954 HB3 :: 3.855 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.89 Ave N Shift Values>> N :: 116.28(3.52) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 M 0.06 K 0.06 I 0.05 Q 0.03 HN Overlap>> 1.D101 1.D101 1.E93 1.E93 C Shift Assignments>> C :: 177.26 CA :: 57.44 CB :: 30.06 CG :: 36.469 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.42 HA :: 4.257 HB2 :: 2.089 HB3 :: 2.001 HG2 :: 2.274 HG3 :: 2.274 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.66 Ave N Shift Values>> N :: 120.67(3.48) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 K 0.08 Q 0.06 M 0.05 I 0.05 C Shift Assignments>> C :: 177.13 CA :: 57.48 CB :: 29.9 CG :: 36.209 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.34 HA :: 4.172 HB2 :: 2.003 HB3 :: 2.003 HG2 :: 2.265 HG3 :: 2.265 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.72 Ave N Shift Values>> N :: 120.67(3.48) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.18 Y 0.12 F 0.11 C 0.11 L 0.06 HN Overlap>> 1.S29 1.N31 1.S29 1.N31 C Shift Assignments>> C :: 175.81 CA :: 54.31 CB :: 38.9 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.31 HA :: 4.601 HB2 :: 2.81 HB3 :: 2.81 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.84 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.21 F 0.13 K 0.11 Y 0.11 C 0.06 N 0.06 R 0.01 C Shift Assignments>> C :: 177.23 CA :: 55.36 CB :: 41.0 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.28 HA :: 4.53 HB2 :: 2.723 HB3 :: 2.723 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.55 Ave N Shift Values>> N :: 120.65(3.86) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.19 M 0.16 R 0.12 H 0.1 Q 0.09 E 0.07 V 0.04 HN Overlap>> 1.V76 1.V76 1.Y94 1.R58 1.Y94 1.R58 C Shift Assignments>> C :: 177.54 CA :: 57.48 CB :: 32.45 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.17 HA :: 4.202 HB2 :: 1.861 HB3 :: 1.861 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.21 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 E 0.17 H 0.17 C 0.15 Q 0.13 M 0.08 K 0.07 V 0.01 I 0.01 HN Overlap>> 1.Q111 1.F66 1.Q111 1.F66 1.Q118 1.Q118 C Shift Assignments>> C :: 177.0 CA :: 57.1 CB :: 30.4 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.11 HA :: 4.225 HB2 :: 1.871 HB3 :: 1.871 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.75 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.17 E 0.16 C 0.15 Q 0.12 M 0.09 K 0.08 V 0.01 HN Overlap>> 1.R127 1.R70 1.R56 1.R127 1.R70 1.R56 C Shift Assignments>> C :: 176.92 CA :: 56.92 CB :: 30.63 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1 HA :: 4.319 HB2 :: 1.885 HB3 :: 1.859 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.54 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.08 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.15 Ave N Shift Values>> N :: 115.42(4.75) 1.H51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.2 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.17 C 0.1 Y 0.1 F 0.09 L 0.05 E 0.01 M 0.01 HN Overlap>> 1.E108 1.E108 C Shift Assignments>> C :: 175.9 CA :: 53.9 CB :: 38.74 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.41 HA :: 4.651 HB2 :: 2.82 HB3 :: 2.528 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.93 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 HN Overlap>> 1.R32 1.R32 1.V28 1.V28 C Shift Assignments>> C :: 176.96 CA :: 64.187 CB :: 32.334 CG1 :: 21.178 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.15 HA :: 3.905 HB :: 2.125 HG11 :: 0.952 HG12 :: 0.952 HG13 :: 0.952 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.97 Ave N Shift Values>> N :: 121.14(4.54) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.22 D 0.13 F 0.13 Y 0.09 R 0.08 C 0.06 N 0.01 I 0.01 HN Overlap>> 1.A26 1.A26 C Shift Assignments>> C :: 178.47 CA :: 56.43 CB :: 41.89 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.14 HA :: 4.232 HB2 :: 1.712 HB3 :: 1.565 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.32 Ave N Shift Values>> N :: 121.86(3.9) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.35 K 0.08 I 0.06 Q 0.06 M 0.05 HN Overlap>> 1.E110 1.E110 C Shift Assignments>> C :: 177.68 CA :: 57.88 CB :: 29.87 CG :: 36.154 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.22 HA :: 4.152 HB2 :: 2.01 HB3 :: 2.01 HG2 :: 2.248 HG3 :: 2.248 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.87 Ave N Shift Values>> N :: 120.67(3.48) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 E 0.17 R 0.16 H 0.15 Q 0.12 M 0.07 K 0.07 V 0.02 I 0.02 HN Overlap>> 1.R49 1.R127 1.R70 1.R49 1.R127 1.R70 C Shift Assignments>> C :: 177.47 CA :: 57.91 CB :: 30.41 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.12 HA :: 4.124 HB2 :: 1.868 HB3 :: 1.868 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.55 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.27 E 0.07 R 0.04 M 0.03 I 0.01 HN Overlap>> 1.D71 1.E117 1.D71 1.E117 C Shift Assignments>> C :: 177.21 CA :: 57.38 CB :: 28.86 CG :: 33.89 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.22 HA :: 4.212 HB2 :: 2.116 HB3 :: 2.116 HG2 :: 2.399 HG3 :: 2.399 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.9 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 R 0.17 C 0.16 H 0.16 Q 0.12 M 0.08 K 0.07 V 0.01 I 0.01 HN Overlap>> 1.K47 1.K47 C Shift Assignments>> C :: 177.541 CA :: 57.458 CB :: 30.517 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.25 HA :: 4.215 HB2 :: 1.857 HB3 :: 1.857 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.14 Y 0.13 C 0.13 F 0.12 L 0.04 E 0.02 M 0.01 I 0.01 HN Overlap>> 1.M27 1.N122 1.N79 1.N20 1.M27 1.N122 1.N79 1.N20 C Shift Assignments>> C :: 176.18 CA :: 54.48 CB :: 38.52 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.34 HA :: 4.599 HB2 :: 2.839 HB3 :: 2.839 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.24 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 K 0.07 I 0.06 M 0.05 Q 0.05 HN Overlap>> 1.R32 1.R32 C Shift Assignments>> C :: 177.51 CA :: 57.92 CB :: 29.91 CG :: 36.279 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3 HA :: 4.159 HB2 :: 2.07 HB3 :: 2.07 HG2 :: 2.317 HG3 :: 2.317 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.96 Ave N Shift Values>> N :: 120.67(3.48) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.27 G 0.01 HN Overlap>> 1.L105 1.L105 C Shift Assignments>> C :: 178.044 CA :: 56.347 CB :: 42.1 CD1 :: 25.104 CD2 :: 23.572 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.04 HA :: 4.203 HB2 :: 1.735 HB3 :: 1.585 HD11 :: 0.914 HD12 :: 0.914 HD13 :: 0.914 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.31 Ave N Shift Values>> N :: 121.86(3.9) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 C 0.19 M 0.17 Q 0.12 R 0.1 H 0.09 E 0.05 V 0.03 HN Overlap>> 1.C34 1.C34 1.L69 1.L69 C Shift Assignments>> C :: 177.112 CA :: 57.317 CB :: 32.718 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.998 HA :: 4.185 HB2 :: 1.835 HB3 :: 1.835 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.427 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.26 G 0.01 HN Overlap>> 1.I106 1.I106 1.S35 1.S35 C Shift Assignments>> C :: 177.93 CA :: 55.96 CB :: 42.19 CD1 :: 25.071 CD2 :: 25.071 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.94 HA :: 4.247 HB2 :: 1.697 HB3 :: 1.697 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 HD21 :: 0.928 HD22 :: 0.928 HD23 :: 0.928 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.83 Ave N Shift Values>> N :: 121.86(3.9) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.17 E 0.16 C 0.15 Q 0.12 M 0.09 K 0.08 V 0.01 HN Overlap>> 1.R115 1.R115 C Shift Assignments>> C :: 176.29 CA :: 56.85 CB :: 30.67 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.03 HA :: 4.176 HB2 :: 1.658 HB3 :: 1.658 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.24 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.13 L 0.04 D 0.04 HN Overlap>> 1.R48 1.Q118 1.R48 1.Q118 C Shift Assignments>> C :: 175.85 CA :: 58.39 CB :: 39.49 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.03 HA :: 4.495 HB2 :: 3.04 HB3 :: 2.951 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 120.45(4.18) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.12 L 0.05 D 0.04 N 0.01 HN Overlap>> 1.S35 1.S35 C Shift Assignments>> C :: 175.52 CA :: 58.22 CB :: 39.57 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.05 HA :: 4.484 HB2 :: 3.135 HB3 :: 2.999 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 120.45(4.18) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.01 C Shift Assignments>> C :: 177.73 CA :: 52.78 CB :: 19.26 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.07 HA :: 4.242 HB1 :: 1.376 HB2 :: 1.376 HB3 :: 1.376 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.29 Ave N Shift Values>> N :: 123.23(3.54) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.24 A 0.01 G 0.01 HN Overlap>> 1.C34 1.K63 1.C34 1.K63 C Shift Assignments>> C :: 177.72 CA :: 55.55 CB :: 42.22 CD1 :: 25.073 CD2 :: 23.545 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.99 HA :: 4.262 HB2 :: 1.596 HB3 :: 1.596 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 HD21 :: 0.857 HD22 :: 0.857 HD23 :: 0.857 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.41 Ave N Shift Values>> N :: 121.86(3.9) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.39 K 0.1 M 0.01 Q 0.01 HN Overlap>> 1.R49 1.R127 1.R49 1.R127 1.R56 1.R56 C Shift Assignments>> C :: 176.15 CA :: 56.64 CB :: 30.7 CG :: 26.856 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.11 HA :: 4.232 HB2 :: 1.822 HB3 :: 1.736 HG2 :: 1.608 HG3 :: 1.608 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 F 0.11 K 0.1 N 0.09 Y 0.08 C 0.06 R 0.01 HN Overlap>> 1.Q57 1.Q118 1.Q57 1.Q118 C Shift Assignments>> C :: 175.93 CA :: 54.67 CB :: 41.08 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.21 HA :: 4.561 HB2 :: 2.691 HB3 :: 2.595 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.86 Ave N Shift Values>> N :: 120.65(3.86) 1.Q72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.31 K 0.25 C 0.23 M 0.08 E 0.07 R 0.02 HN Overlap>> 1.Y22 1.Y22 C Shift Assignments>> C :: 175.59 CA :: 55.64 CB :: 29.61 CG :: 33.886 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.09 HA :: 4.303 HB2 :: 2.078 HB3 :: 2.957(S) HG2 :: 2.314 HG3 :: 2.314 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.43 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.59 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.17 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.63 Ave N Shift Values>> N :: 121.46(4.28) 1.P74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> P 0.72 C 0.22 R 0.02 K 0.01 C Shift Assignments>> C :: 176.82 CA :: 63.37 CB :: 32.15 CG :: 27.448 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.385 HB2 :: 2.269 HB3 :: 1.873 HG2 :: 1.985 HG3 :: 1.985 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 111.66(S) Ave N Shift Values>> N :: 134.16(6.62) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.1 K 0.04 Q 0.04 I 0.03 C Shift Assignments>> C :: 176.64 CA :: 56.82 CB :: 30.37 CG :: 36.431 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.48 HA :: 4.242 HB2 :: 2.003 HB3 :: 1.95 HG2 :: 2.259 HG3 :: 2.259 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.32 Ave N Shift Values>> N :: 120.67(3.48) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 HN Overlap>> 1.F23 1.K47 1.K104 1.F23 1.K47 1.K104 C Shift Assignments>> C :: 175.83 CA :: 62.22 CB :: 32.87 CG1 :: 21.227 CG2 :: 20.584 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.12 HA :: 4.131 HB :: 2.059 HG11 :: 0.92 HG12 :: 0.92 HG13 :: 0.92 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.18 Ave N Shift Values>> N :: 121.14(4.54) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 HN Overlap>> 1.L88 1.L88 C Shift Assignments>> C :: 177.44 CA :: 52.492 CB :: 19.475 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.38 HA :: 4.302 HB1 :: 1.371 HB2 :: 1.371 HB3 :: 1.371 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.56 Ave N Shift Values>> N :: 123.23(3.54) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.19 C 0.09 F 0.08 Y 0.08 L 0.05 C Shift Assignments>> C :: 175.14 CA :: 53.38 CB :: 38.92 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.4 HA :: 4.66 HB2 :: 2.802 HB3 :: 2.802 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.12 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.18 C 0.09 Y 0.08 F 0.08 L 0.05 HN Overlap>> 1.M27 1.N122 1.M27 1.N122 1.N20 1.N60 1.N20 1.N60 C Shift Assignments>> C :: 175.39 CA :: 53.41 CB :: 38.84 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.41 HA :: 4.685 HB2 :: 2.844 HB3 :: 2.761 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.29 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.08 K 0.06 Q 0.05 I 0.03 HN Overlap>> 1.D41 1.D41 C Shift Assignments>> C :: 176.5 CA :: 57.03 CB :: 30.12 CG :: 36.305 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.37 HA :: 4.234 HB2 :: 2.057 HB3 :: 1.96 HG2 :: 2.252 HG3 :: 2.252 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.08 Ave N Shift Values>> N :: 120.67(3.48) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.44 HN Overlap>> 1.Y94 1.Y94 C Shift Assignments>> C :: 176.0 CA :: 56.0 CB :: 32.89 CG :: 24.901 CD :: 29.035 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.21 HA :: 4.286 HB2 :: 1.841 HB3 :: 1.732 HG2 :: 1.413 HG3 :: 1.413 HD2 :: 1.656 HD3 :: 1.656 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.36 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A82 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 175.28 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.11 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.86 Ave N Shift Values>> N :: 123.23(3.54) 1.P83 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> P 0.67 C 0.25 R 0.03 K 0.01 C Shift Assignments>> C :: 176.8 CA :: 62.94 CB :: 32.14 CG :: 27.353 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.409 HB2 :: 2.275 HB3 :: 2.186 HG2 :: 2.016 HG3 :: 2.016 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 107.46(A) Ave N Shift Values>> N :: 134.16(6.62) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.06 Q 0.05 C Shift Assignments>> C :: 176.54 CA :: 56.37 CB :: 33.05 CG :: 24.864 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.38 HA :: 4.279 HB2 :: 1.767 HB3 :: 1.767 HG2 :: 1.416 HG3 :: 1.416 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.81 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.32 HN Overlap>> 1.L21 1.L21 C Shift Assignments>> C :: 175.76 CA :: 62.32 CB :: 32.93 CG1 :: 20.942 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.14 HA :: 4.096 HB :: 1.996 HG11 :: 0.901 HG12 :: 0.901 HG13 :: 0.901 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.21 Ave N Shift Values>> N :: 121.14(4.54) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.66 CA :: 62.35 CB :: 32.91 CG1 :: 20.95 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.29 HA :: 4.074 HB :: 1.958 HG11 :: 0.889 HG12 :: 0.889 HG13 :: 0.889 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.76 Ave N Shift Values>> N :: 121.14(4.54) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.31 M 0.01 C Shift Assignments>> C :: 175.94 CA :: 60.7 CB :: 38.43 CG2 :: 17.502 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.3 HA :: 4.138 HB :: 1.81 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.39 Ave N Shift Values>> N :: 121.46(4.28) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.18 R 0.16 K 0.15 F 0.07 Y 0.04 C 0.04 N 0.01 HN Overlap>> 1.A77 1.A77 C Shift Assignments>> C :: 176.96 CA :: 54.95 CB :: 42.48 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.37 HA :: 4.371 HB2 :: 1.573 HB3 :: 1.549 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.59 Ave N Shift Values>> N :: 121.86(3.9) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.2 Q 0.18 C 0.17 R 0.08 H 0.07 E 0.03 V 0.02 C Shift Assignments>> C :: 176.37 CA :: 56.32 CB :: 33.19 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.29 HA :: 4.28 HB2 :: 1.792 HB3 :: 1.715 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.06 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.2 Q 0.19 C 0.17 R 0.07 H 0.07 E 0.03 V 0.02 C Shift Assignments>> C :: 176.48 CA :: 56.32 CB :: 33.27 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.35 HA :: 4.278 HB2 :: 1.819 HB3 :: 1.72 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.16 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.12 C 0.02 C Shift Assignments>> C :: 178.04 CA :: 52.98 CB :: 19.18 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.43 HA :: 4.317 HB1 :: 1.427 HB2 :: 1.427 HB3 :: 1.427 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.65 Ave N Shift Values>> N :: 123.23(3.54) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.58 CA :: 62.38 CB :: 69.7 CG2 :: 21.865 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.03 HA :: 4.229 HB :: 4.182 HG21 :: 1.161 HG22 :: 1.161 HG23 :: 1.161 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.96 Ave N Shift Values>> N :: 115.42(4.75) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.1 K 0.05 Q 0.04 I 0.03 HN Overlap>> 1.E19 1.E43 1.E19 1.E43 C Shift Assignments>> C :: 176.25 CA :: 56.9 CB :: 30.35 CG :: 36.35 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.33 HA :: 4.23 HB2 :: 1.972 HB3 :: 1.892 HG2 :: 2.175 HG3 :: 2.175 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.63 Ave N Shift Values>> N :: 120.67(3.48) 1.Y94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.18 I 0.15 D 0.02 L 0.02 E 0.02 N 0.01 HN Overlap>> 1.K81 1.K47 1.K81 1.K47 C Shift Assignments>> C :: 175.85 CA :: 58.35 CB :: 38.81 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.16 HA :: 4.541 HB2 :: 2.982 HB3 :: 2.982 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 120.52(4.2) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.28 HN Overlap>> 1.L21 1.L21 C Shift Assignments>> C :: 176.14 CA :: 62.79 CB :: 32.83 CG1 :: 21.053 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.0 HA :: 3.968 HB :: 2.016 HG11 :: 0.903 HG12 :: 0.903 HG13 :: 0.903 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.09 Ave N Shift Values>> N :: 121.14(4.54) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.24 G 0.01 A 0.01 HN Overlap>> 1.A107 1.A107 C Shift Assignments>> C :: 177.57 CA :: 55.65 CB :: 42.31 CD1 :: 24.97 CD2 :: 23.721 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.21 HA :: 4.281 HB2 :: 1.634 HB3 :: 1.561 HD11 :: 0.942 HD12 :: 0.942 HD13 :: 0.942 HD21 :: 0.874 HD22 :: 0.874 HD23 :: 0.874 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.21 Ave N Shift Values>> N :: 121.86(3.9) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S100 1.S100 C Shift Assignments>> C :: 174.64 CA :: 58.51 CB :: 63.69 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.22 HA :: 4.413 HB2 :: 3.86 HB3 :: 3.86 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.79 Ave N Shift Values>> N :: 116.28(3.52) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 C 0.23 G 0.01 C Shift Assignments>> C :: 177.57 CA :: 55.45 CB :: 42.26 CD1 :: 25.009 CD2 :: 25.009 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.13 HA :: 4.317 HB2 :: 1.635 HB3 :: 1.575 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 HD21 :: 0.861 HD22 :: 0.861 HD23 :: 0.861 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.92 Ave N Shift Values>> N :: 121.86(3.9) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.26 C 0.24 E 0.08 M 0.06 R 0.02 HN Overlap>> 1.E124 1.E124 1.K109 1.K109 C Shift Assignments>> C :: 176.18 CA :: 56.07 CB :: 29.41 CG :: 33.945 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.27 HA :: 4.34 HB2 :: 2.131 HB3 :: 1.986 HG2 :: 2.362 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.3 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S97 1.S97 C Shift Assignments>> C :: 174.74 CA :: 58.58 CB :: 63.99 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.29 HA :: 4.427 HB2 :: 3.982 HB3 :: 3.873 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.86 Ave N Shift Values>> N :: 116.28(3.52) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.21 F 0.13 K 0.11 Y 0.1 N 0.07 C 0.06 R 0.01 HN Overlap>> 1.E43 1.E43 C Shift Assignments>> C :: 177.15 CA :: 55.25 CB :: 40.97 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.48 HA :: 4.583 HB2 :: 2.697 HB3 :: 2.697 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.68 Ave N Shift Values>> N :: 120.65(3.86) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.35 I 0.08 K 0.07 Q 0.05 M 0.03 HN Overlap>> 1.R38 1.R38 C Shift Assignments>> C :: 177.5 CA :: 58.32 CB :: 29.78 CG :: 36.198 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.44 HA :: 4.102 HB2 :: 1.963 HB3 :: 1.963 HG2 :: 2.184 HG3 :: 2.184 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 120.67(3.48) 1.H103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 C 0.15 H 0.15 Q 0.14 R 0.14 K 0.13 M 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 176.51 CA :: 57.74 CB :: 29.68 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.27 HA :: 4.457 HB2 :: 3.217 HB3 :: 3.217 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.6 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.19 M 0.15 Q 0.12 R 0.09 H 0.08 V 0.06 E 0.05 HN Overlap>> 1.L119 1.V76 1.F23 1.L119 1.V76 1.F23 1.V28 1.V28 C Shift Assignments>> C :: 177.5 CA :: 58.07 CB :: 32.8 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.05 HA :: 4.159 HB2 :: 1.846 HB3 :: 1.846 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.1 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.28 HN Overlap>> 1.L62 1.F23 1.L62 1.F23 C Shift Assignments>> C :: 178.565 CA :: 56.617 CB :: 41.986 CD1 :: 24.918 CD2 :: 23.623 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.01 HA :: 4.253 HB2 :: 1.752 HB3 :: 1.623 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 HD21 :: 0.881 HD22 :: 0.881 HD23 :: 0.881 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.23 Ave N Shift Values>> N :: 121.86(3.9) 1.I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.16 Y 0.09 F 0.08 HN Overlap>> 1.L64 1.S35 1.L64 1.S35 C Shift Assignments>> C :: 177.38 CA :: 63.08 CB :: 38.29 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.95 HA :: 3.899 HB :: 1.877 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.88 Ave N Shift Values>> N :: 121.46(4.28) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.31 C 0.02 I 0.01 HN Overlap>> 1.L96 1.L96 C Shift Assignments>> C :: 179.62 CA :: 54.08 CB :: 18.56 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.16 HA :: 4.233 HB1 :: 1.453 HB2 :: 1.453 HB3 :: 1.453 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.12 Ave N Shift Values>> N :: 123.23(3.54) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.11 K 0.06 Q 0.03 M 0.03 HN Overlap>> 1.E117 1.N52 1.E117 1.N52 C Shift Assignments>> C :: 178.492 CA :: 58.751 CB :: 29.797 CG :: 36.385 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.33 HA :: 4.117 HB2 :: 2.102 HB3 :: 2.102 HG2 :: 2.373 HG3 :: 2.277 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.01 Ave N Shift Values>> N :: 120.67(3.48) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.16 V 0.13 M 0.1 R 0.1 H 0.08 E 0.06 Q 0.06 HN Overlap>> 1.E124 1.Q99 1.E124 1.Q99 C Shift Assignments>> C :: 178.965 CA :: 59.122 CB :: 32.464 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.216 HA :: 4.09 HB2 :: 1.925 HB3 :: 1.925 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.219 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 K 0.12 I 0.09 Q 0.08 M 0.02 HN Overlap>> 1.E55 1.E55 C Shift Assignments>> C :: 178.242 CA :: 58.386 CB :: 29.283 CG :: 35.877 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.18 HA :: 4.252 HB2 :: 2.121 HB3 :: 2.058 HG2 :: 2.323 HG3 :: 2.323 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.775 Ave N Shift Values>> N :: 120.67(3.48) 1.Q111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.26 K 0.25 R 0.06 E 0.06 I 0.02 M 0.01 HN Overlap>> 1.R48 1.Q118 1.R48 1.Q118 C Shift Assignments>> C :: 178.381 CA :: 58.45 CB :: 28.453 CG :: 33.86 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.173 HA :: 4.087 HB2 :: 2.567 HB3 :: 2.567 HG2 :: 2.43 HG3 :: 2.43 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.749 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.38 R 0.01 HN Overlap>> 1.R113 1.R113 C Shift Assignments>> C :: 178.812 CA :: 57.476 CB :: 41.778 CG :: 27.008 CD1 :: 24.79 CD2 :: 23.749 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.017 HA :: 4.125 HB2 :: 1.789 HB3 :: 1.649 HG :: 1.713 HD11 :: 0.953 HD12 :: 0.953 HD13 :: 0.953 HD21 :: 0.886 HD22 :: 0.886 HD23 :: 0.886 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.626 Ave N Shift Values>> N :: 121.86(3.9) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.38 K 0.09 G 0.05 I 0.02 HN Overlap>> 1.C34 1.L112 1.C34 1.L112 C Shift Assignments>> C :: 178.369 CA :: 58.991 CB :: 30.08 CD :: 43.223 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.97 HA :: 4.039 HB2 :: 1.935 HB3 :: 1.935 HD2 :: 3.209 HD3 :: 3.209 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.549 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.4 G 0.08 K 0.05 I 0.01 C Shift Assignments>> C :: 178.451 CA :: 58.567 CB :: 30.247 CD :: 43.526 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.179 HA :: 4.095 HB2 :: 1.889 HB3 :: 1.889 HD2 :: 3.214 HD3 :: 3.214 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.136 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.4 G 0.08 K 0.05 HN Overlap>> 1.R65 1.R65 C Shift Assignments>> C :: 178.174 CA :: 58.415 CB :: 30.28 CD :: 43.564 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.096 HA :: 4.17 HB2 :: 1.945 HB3 :: 1.945 HD2 :: 3.204 HD3 :: 3.204 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.279 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.39 G 0.08 K 0.05 I 0.01 HN Overlap>> 1.E117 1.E117 C Shift Assignments>> C :: 178.435 CA :: 58.667 CB :: 30.241 CD :: 43.503 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.191 HA :: 4.116 HB2 :: 1.931 HB3 :: 1.931 HD2 :: 3.213 HD3 :: 3.213 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.053 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 I 0.09 K 0.06 Q 0.03 M 0.03 HN Overlap>> 1.R116 1.E108 1.R116 1.E108 1.Q57 1.Q57 C Shift Assignments>> C :: 177.988 CA :: 58.281 CB :: 29.8 CG :: 36.404 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.225 HA :: 4.119 HB2 :: 2.086 HB3 :: 2.086 HG2 :: 2.335 HG3 :: 2.335 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.012 Ave N Shift Values>> N :: 120.67(3.48) 1.Q118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.26 E 0.08 R 0.04 M 0.02 I 0.01 HN Overlap>> 1.D71 1.Q111 1.F66 1.R48 1.D71 1.Q111 1.F66 1.R48 C Shift Assignments>> C :: 177.374 CA :: 57.545 CB :: 28.901 CG :: 33.962 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.118 HA :: 4.183 HB2 :: 2.157 HB3 :: 2.157 HG2 :: 2.451 HG3 :: 2.451 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.827 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.28 HN Overlap>> 1.K104 1.V28 1.K104 1.V28 C Shift Assignments>> C :: 178.254 CA :: 56.702 CB :: 42.038 CD1 :: 25.008 CD2 :: 23.539 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.997 HA :: 4.222 HB2 :: 1.736 HB3 :: 1.603 HD11 :: 0.943 HD12 :: 0.943 HD13 :: 0.943 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.012 Ave N Shift Values>> N :: 121.86(3.9) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.19 M 0.15 R 0.11 Q 0.1 H 0.09 E 0.06 V 0.06 C Shift Assignments>> C :: 177.474 CA :: 57.952 CB :: 32.615 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.928 HA :: 4.126 HB2 :: 1.817 HB3 :: 1.817 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.894 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 H 0.16 R 0.15 Q 0.15 C 0.14 K 0.11 M 0.06 I 0.01 C Shift Assignments>> C :: 175.914 CA :: 57.139 CB :: 29.952 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.134 HA :: 4.57 HB2 :: 3.192 HB3 :: 3.192 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.585 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.14 Y 0.13 C 0.12 F 0.11 L 0.04 E 0.01 M 0.01 I 0.01 HN Overlap>> 1.M27 1.M27 1.N79 1.N20 1.N60 1.N79 1.N20 1.N60 C Shift Assignments>> C :: 176.306 CA :: 54.399 CB :: 38.546 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.377 HA :: 4.598 HB2 :: 2.861 HB3 :: 2.861 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.324 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.35 R 0.03 HN Overlap>> 1.D14 1.D14 C Shift Assignments>> C :: 178.558 CA :: 56.6 CB :: 42.003 CG :: 27.052 CD1 :: 24.997 CD2 :: 23.429 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.241 HA :: 4.213 HB2 :: 1.762 HB3 :: 1.606 HG :: 1.689 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.622 Ave N Shift Values>> N :: 121.86(3.9) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 I 0.08 K 0.07 Q 0.04 M 0.03 HN Overlap>> 1.Q99 1.K109 1.Q99 1.K109 C Shift Assignments>> C :: 177.57 CA :: 57.97 CB :: 29.73 CG :: 36.349 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.22 HA :: 4.127 HB2 :: 2.049 HB3 :: 2.049 HG2 :: 2.304 HG3 :: 2.304 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.3 Ave N Shift Values>> N :: 120.67(3.48) 1.Q125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.25 E 0.07 R 0.04 M 0.04 C Shift Assignments>> C :: 177.01 CA :: 56.82 CB :: 28.96 CG :: 33.846 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.09 HA :: 4.208 HB2 :: 2.024 HB3 :: 2.105 HG2 :: 2.345 HG3 :: 2.345 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.21 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.32 R 0.03 A 0.01 G 0.01 C Shift Assignments>> C :: 178.11 CA :: 56.02 CB :: 42.13 CG :: 27.018 CD1 :: 25.011 CD2 :: 23.453 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.98 HA :: 4.26 HB2 :: 1.721 HB3 :: 1.609 HG :: 1.663 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 HD21 :: 0.863 HD22 :: 0.863 HD23 :: 0.863 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.56 Ave N Shift Values>> N :: 121.86(3.9) 1.R127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.4 K 0.11 M 0.01 Q 0.01 HN Overlap>> 1.C34 1.R49 1.C34 1.R49 1.R70 1.R56 1.R70 1.R56 C Shift Assignments>> C :: 176.59 CA :: 56.96 CB :: 30.61 CG :: 27.192 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.11 HA :: 4.249 HB2 :: 1.837 HB3 :: 1.837 HG2 :: 1.636 HG3 :: 1.636 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.45 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.19 C 0.09 F 0.08 Y 0.08 L 0.05 HN Overlap>> 1.S29 1.S29 C Shift Assignments>> C :: 175.36 CA :: 53.46 CB :: 38.92 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.26 HA :: 4.718 HB2 :: 2.877 HB3 :: 2.781 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.72 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.33 CA :: 58.74 CB :: 63.86 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.14 HA :: 4.431 HB2 :: 3.908 HB3 :: 3.908 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.02 Ave N Shift Values>> N :: 116.28(3.52) 1.R130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.37 K 0.09 M 0.02 Q 0.01 C Shift Assignments>> C :: 175.01 CA :: 56.01 CB :: 30.81 CG :: 26.993 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.23 HA :: 4.38 HB2 :: 1.923 HB3 :: 1.758 HG2 :: 1.651 HG3 :: 1.651 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.94 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A131 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.92 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.76 Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 125 #Clerical: 0 #Suspicious: 3 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 113 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 18 Shift Relative Order (SRO) Results: #Consistent: 131 #Suspicious: 0 C Shift Results: #Consistent: 418 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 628 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 115 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 3 Error Summary: 1.P9 N = 108.89(A), Expected = 134.16, Std = 6.6200, ChiSquare = 1.3496e-04 1.P16 N = 111.5(S), Expected = 134.16, Std = 6.6200, ChiSquare = 6.1943e-04 1.P37 N = 109.76(A), Expected = 134.16, Std = 6.6200, ChiSquare = 2.2798e-04 1.Q72 HB3 = 2.957(S), Expected = 2.02, Std = 0.2800, ChiSquare = 8.1860e-04 1.P74 N = 111.66(S), Expected = 134.16, Std = 6.6200, ChiSquare = 6.7684e-04 1.P83 N = 107.46(A), Expected = 134.16, Std = 6.6200, ChiSquare = 5.5015e-05