Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.55 M 0.36 V 0.08 C Shift Assignments>> C :: 173.6 CA :: 61.2 CB :: 34.4 CE :: 16.9 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>> HA :: 4.14 HE1 :: 1.89 HE2 :: 1.89 HE3 :: 1.89 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) 1.F2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.45 C Shift Assignments>> C :: 175.4 CA :: 57.0 CB :: 40.3 CD1 :: 131.6 CD2 :: 131.7 CE1 :: 130.5 CE2 :: 130.5 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 :: 8.74 HA :: 4.98 HB2 :: 2.72 HB3 :: 3.27 HD1 :: 6.49 HD2 :: 6.44 HE1 :: 6.99 HE2 :: 6.99 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 :: 126.5 Ave N Shift Values>> N :: 120.45(4.18) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.5 CA :: 60.7 CB :: 71.9 CG2 :: 21.4 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 :: 9.07 HA :: 5.43 HB :: 4.06 HG21 :: 1.09 HG22 :: 1.09 HG23 :: 1.09 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 :: 114.7 Ave N Shift Values>> N :: 115.42(4.75) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 P 0.26 K 0.13 A 0.03 R 0.01 HN Overlap>> 1.M15 1.M15 C Shift Assignments>> C :: 175.4 CA :: 50.9 CB :: 24.5 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.06 HA :: 5.34 HB1 :: 1.17 HB2 :: 1.17 HB3 :: 1.17 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.5 Ave N Shift Values>> N :: 123.23(3.54) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.1 A 0.01 C Shift Assignments>> C :: 173.9 CA :: 55.0 CB :: 36.3 CG :: 24.5 CD :: 29.5 CE :: 41.5 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 :: 8.48 HA :: 4.75 HB2 :: 1.58 HB3 :: 1.80 HG2 :: 1.07 HG3 :: 1.07 HD2 :: 1.58 HD3 :: 1.58 HE2 :: 2.80 HE3 :: 2.80 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 :: 121.0 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 G 0.06 A 0.02 C Shift Assignments>> C :: 177.1 CA :: 54.9 CB :: 42.9 CG :: 26.0 CD1 :: 23.6 CD2 :: 23.6 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 :: 9.68 HA :: 3.72 HB2 :: 1.51 HB3 :: 1.51 HG :: 0.47 HD11 :: 0.38 HD12 :: 0.38 HD13 :: 0.38 HD21 :: 0.38 HD22 :: 0.38 HD23 :: 0.38 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 :: 131.1 Ave N Shift Values>> N :: 121.86(3.9) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.3 CA :: 60.5 CB :: 39.5 CG1 :: 27.0 CG2 :: 19.3 CD1 :: 14.4 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 :: 8.64 HA :: 4.61 HB :: 2.11 HG12 :: 0.96 HG13 :: 0.96 HG21 :: 0.81 HG22 :: 0.81 HG23 :: 0.81 HD11 :: 0.71 HD12 :: 0.71 HD13 :: 0.71 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 :: 119.6 Ave N Shift Values>> N :: 121.46(4.28) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.88 R 0.09 G 0.01 C Shift Assignments>> C :: 174.8 CA :: 55.6 CB :: 35.6 CG :: 24.6 CD :: 28.5 CE :: 41.9 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 :: 6.83 HA :: 4.50 HB2 :: 1.37 HB3 :: 1.29 HG2 :: 1.13 HG3 :: 1.03 HD2 :: 1.20 HD3 :: 1.08 HE2 :: 2.68 HE3 :: 2.68 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 :: 121.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.29 R 0.22 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.27 HA2 :: 4.28 HA3 :: 3.78 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.2 Ave N Shift Values>> N :: 109.67(3.87) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 G 0.01 HN Overlap>> 1.N66 1.N66 C Shift Assignments>> C :: 177.8 CA :: 58.4 CB :: 34.4 CG :: 25.0 CD :: 28.7 CE :: 42.2 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 :: 8.56 HA :: 4.42 HB2 :: 1.91 HB3 :: 1.91 HG2 :: 1.48 HG3 :: 1.48 HD2 :: 1.71 HD3 :: 1.71 HE2 :: 3.00 HE3 :: 3.00 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 :: 117.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.7 CA :: 59.7 CB :: 72.9 CG2 :: 21.8 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 :: 7.75 HA :: 5.40 HB :: 4.15 HG21 :: 1.14 HG22 :: 1.14 HG23 :: 1.14 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 :: 109.9 Ave N Shift Values>> N :: 115.42(4.75) 1.Y12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 Y 0.48 HN Overlap>> 1.L47 1.L47 C Shift Assignments>> C :: 173.8 CA :: 58.7 CB :: 44.1 CD1 :: 133.5 CD2 :: 133.5 CE1 :: 118.1 CE2 :: 118.1 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 :: 8.58 HA :: 4.60 HB2 :: 3.02 HB3 :: 3.07 HD1 :: 7.07 HD2 :: 7.07 HE1 :: 6.52 HE2 :: 6.52 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 :: 123.5 Ave N Shift Values>> N :: 120.52(4.2) 1.N13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.4 N 0.24 L 0.19 F 0.05 K 0.04 Y 0.04 C Shift Assignments>> C :: 173.8 CA :: 52.4 CB :: 41.0 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 :: 8.60 HA :: 6.04(S) HB2 :: 2.62 HB3 :: 2.62 HD21 :: 6.66 HD22 :: 7.33 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 :: 128.2 ND2 :: 112.9 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.2 CA :: 61.2 CB :: 33.8 CG1 :: 20.4 CG2 :: 21.7 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 :: 9.15 HA :: 4.40 HB :: 2.47 HG11 :: 1.16 HG12 :: 1.16 HG13 :: 1.16 HG21 :: 1.16 HG22 :: 1.16 HG23 :: 1.16 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 :: 123.8 Ave N Shift Values>> N :: 121.14(4.54) 1.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.86 A 0.12 I 0.01 HN Overlap>> 1.A4 1.A4 C Shift Assignments>> C :: 175.1 CA :: 56.9 CB :: 31.2 CG :: 33.6 CE :: 17.1 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 :: 9.14 HA :: 3.82 HB2 :: 1.86 HB3 :: 1.86 HG2 :: 2.28 HG3 :: 2.41 HE1 :: 1.62 HE2 :: 1.62 HE3 :: 1.62 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 :: 123.5 Ave N Shift Values>> N :: 120.09(3.57) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.0 CA :: 45.4 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.41 HA2 :: 3.62 HA3 :: 4.13 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.2 Ave N Shift Values>> N :: 109.67(3.87) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.0 CA :: 59.9 CB :: 39.1 CG1 :: 27.2 CG2 :: 17.0 CD1 :: 12.1 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 :: 8.19 HA :: 4.15 HB :: 1.98 HG12 :: 1.09 HG13 :: 1.39 HG21 :: 0.18 HG22 :: 0.18 HG23 :: 0.18 HD11 :: 0.78 HD12 :: 0.78 HD13 :: 0.78 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 :: 124.4 Ave N Shift Values>> N :: 121.46(4.28) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.2 CA :: 62.3 CB :: 69.6 CG2 :: 21.7 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 :: 8.48 HA :: 4.88 HB :: 3.94 HG21 :: 1.16 HG22 :: 1.16 HG23 :: 1.16 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 :: 122.4 Ave N Shift Values>> N :: 115.42(4.75) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.1 CA :: 57.9 CB :: 40.9 CD1 :: 132.3 CD2 :: 132.3 CE1 :: 130.9 CE2 :: 130.9 CZ :: 129 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 :: 9.54 HA :: 4.73 HB2 :: 3.47 HB3 :: 3.17 HD1 :: 7.65 HD2 :: 7.65 HE1 :: 7.17 HE2 :: 7.17 HZ :: 6.93 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 :: 127.8 Ave N Shift Values>> N :: 120.45(4.18) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.21 G 0.09 C Shift Assignments>> C :: 177.3 CA :: 54.4 CB :: 32.3 CG :: 27.6 CD :: 43.2 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 :: 9.00 HA :: 4.98 HB2 :: 1.70 HB3 :: 1.97 HG2 :: 1.67 HG3 :: 1.67 HD2 :: 3.27 HD3 :: 3.27 HE :: 7.19 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 :: 119.9 NE :: 85.3 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.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.38 I 0.01 C Shift Assignments>> C :: 178.6 CA :: 54.0 CB :: 18.1 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.05 HA :: 3.85 HB1 :: 1.43 HB2 :: 1.43 HB3 :: 1.43 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.2 Ave N Shift Values>> N :: 123.23(3.54) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 173.5 CA :: 46.1 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.90 HA2 :: 3.62 HA3 :: 4.26 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.3 Ave N Shift Values>> N :: 109.67(3.87) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.5 CA :: 61.7 CB :: 32.4 CG1 :: 21.1 CG2 :: 20.8 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 :: 7.62 HA :: 4.39 HB :: 2.24 HG11 :: 1.01 HG12 :: 1.01 HG13 :: 1.01 HG21 :: 0.91 HG22 :: 0.91 HG23 :: 0.91 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 :: 121.2 Ave N Shift Values>> N :: 121.14(4.54) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.6 CA :: 59.5 CB :: 63.3 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.12 HA :: 4.67 HB2 :: 3.80 HB3 :: 3.83 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 :: 126.5 Ave N Shift Values>> N :: 116.28(3.52) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 Q 0.17 E 0.07 C Shift Assignments>> C :: 175.2 CA :: 54.8 CB :: 32.8 CG :: 34.2 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 :: 8.93 HA :: 4.91 HB2 :: 2.07 HB3 :: 2.07 HG2 :: 2.38 HG3 :: 2.38 HE21 :: 6.28 HE22 :: 7.45 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 :: 122.9 NE2 :: 112.2 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.3 CA :: 62.6 CB :: 69.3 CG2 :: 22.8 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 :: 8.68 HA :: 5.04 HB :: 4.20 HG21 :: 1.32 HG22 :: 1.32 HG23 :: 1.32 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 :: 119.9 Ave N Shift Values>> N :: 115.42(4.75) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 V 0.26 I 0.04 C Shift Assignments>> CA :: 57.2 CB :: 34.3 CG1 :: 23.7 CG2 :: 18.6 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 :: 8.83 HA :: 5.16 HB :: 2.28 HG11 :: 1.21 HG12 :: 1.21 HG13 :: 1.21 HG21 :: 0.81 HG22 :: 0.81 HG23 :: 0.81 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 :: 117.5 Ave N Shift Values>> N :: 121.14(4.54) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 R 0.13 K 0.09 Q 0.04 I 0.02 C Shift Assignments>> C :: 177.4 CA :: 61.7 CB :: 32.5 CG :: 27.5 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 :: 4.80 HB2 :: 2.02 HB3 :: 2.54 HG2 :: 2.01 HG3 :: 2.17 HD2 :: 3.57 HD3 :: 3.95 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) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 R 0.09 G 0.01 C Shift Assignments>> C :: 177.5 CA :: 60.1 CB :: 32.7 CG :: 24.5 CD :: 29.5 CE :: 42.1 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 :: 8.91 HA :: 2.98 HB2 :: 1.68 HB3 :: 1.68 HG2 :: 0.74 HG3 :: 1.13 HD2 :: 1.69 HD3 :: 1.69 HE2 :: 2.97 HE3 :: 2.97 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 :: 124.6 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 C Shift Assignments>> C :: 178.7 CA :: 59.1 CB :: 32.3 CG :: 24.7 CD :: 29.0 CE :: 41.9 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 :: 8.61 HA :: 4.09 HB2 :: 1.86 HB3 :: 1.86 HG2 :: 1.39 HG3 :: 1.39 HD2 :: 1.70 HD3 :: 1.70 HE2 :: 2.98 HE3 :: 2.98 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 :: 114.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 R 0.37 G 0.01 K 0.01 C Shift Assignments>> C :: 177.1 CA :: 56.9 CB :: 42.3 CG :: 28.3 CD1 :: 26.0 CD2 :: 24.5 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 :: 7.03 HA :: 4.31 HB2 :: 1.70 HB3 :: 1.70 HG :: 1.70 HD11 :: 1.05 HD12 :: 1.05 HD13 :: 1.05 HD21 :: 1.05 HD22 :: 1.05 HD23 :: 1.05 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 :: 120.5 Ave N Shift Values>> N :: 121.86(3.9) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.1 CA :: 62.0 CB :: 38.3 CD1 :: 133.4 CD2 :: 133.5 CE1 :: 119.3 CE2 :: 119.3 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 :: 7.73 HA :: 3.63 HB2 :: 2.83 HB3 :: 2.48 HD1 :: 6.65 HD2 :: 6.68 HE1 :: 6.81 HE2 :: 6.81 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 :: 120.9 Ave N Shift Values>> N :: 120.52(4.2) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.36 K 0.06 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.3 CA :: 59.1 CB :: 29.4 CG :: 37.0 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 :: 8.36 HA :: 3.75 HB2 :: 1.96 HB3 :: 2.07 HG2 :: 2.21 HG3 :: 2.46 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 :: 115.2 Ave N Shift Values>> N :: 120.67(3.48) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.1 CA :: 60.8 CB :: 39.1 CD1 :: 133.2 CD2 :: 133.0 CE1 :: 118.6 CE2 :: 118.3 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 :: 7.59 HA :: 4.17 HB2 :: 3.11 HB3 :: 3.27 HD1 :: 6.86 HD2 :: 6.94 HE1 :: 6.72 HE2 :: 6.80 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 :: 120.9 Ave N Shift Values>> N :: 120.52(4.2) 1.L35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.7 A 0.24 G 0.04 C Shift Assignments>> C :: 176.1 CA :: 54.3 CB :: 42.7 CG :: 25.7 CD1 :: 24.4 CD2 :: 21.9 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 :: 7.60 HA :: 3.95 HB2 :: 1.02 HB3 :: 1.02 HG :: 1.61 HD11 :: -0.37(S) HD12 :: -0.37(S) HD13 :: -0.37(S) HD21 :: 0.22 HD22 :: 0.22 HD23 :: 0.22 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 :: 115.7 Ave N Shift Values>> N :: 121.86(3.9) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 D 0.14 N 0.11 L 0.08 I 0.05 E 0.01 C Shift Assignments>> C :: 175.6 CA :: 56.4 CB :: 39.1 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 :: 7.07 HA :: 3.98 HB2 :: 2.50 HB3 :: 2.84 HD21 :: 6.60 HD22 :: 7.29 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 :: 119.5 ND2 :: 112 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.23 K 0.12 Q 0.05 R 0.01 L 0.01 C Shift Assignments>> C :: 175.0 CA :: 57.1 CB :: 28.0 CG :: 36.6 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 :: 8.47 HA :: 3.97 HB2 :: 2.00 HB3 :: 2.20 HG2 :: 2.23 HG3 :: 2.23 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 :: 117.6 Ave N Shift Values>> N :: 120.67(3.48) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.26 L 0.06 F 0.04 Y 0.03 HN Overlap>> 1.D53 1.D53 C Shift Assignments>> CA :: 51.2 CB :: 39.7 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 :: 8.00 HA :: 4.89 HB2 :: 2.56 HB3 :: 3.05 HD21 :: 6.39 HD22 :: 7.48 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 :: 121.8 ND2 :: 110.4 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.0 CA :: 63.9 CB :: 32.0 CG :: 26.8 CD :: 50.9 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 :: 4.55 HB2 :: 1.91 HB3 :: 2.23 HG2 :: 1.64 HG3 :: 2.04 HD2 :: 3.77 HD3 :: 4.05 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) 1.Y40 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 173.9 CA :: 58.5 CB :: 36.6 CG :: 36.6(A) CD1 :: 132.7 CD2 :: 132.7 CE1 :: 118.0 CE2 :: 118.0 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 :: 8.68 HA :: 4.09 HB2 :: 2.56 HB3 :: 2.68 HD1 :: 7.12 HD2 :: 7.12 HE1 :: 6.86 HE2 :: 6.86 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 :: 118.8 Ave N Shift Values>> N :: 120.52(4.2) 1.F41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.61 F 0.32 Y 0.06 C Shift Assignments>> C :: 175.6 CA :: 57.0 CB :: 44.6 CD1 :: 130.6 CD2 :: 131.0 CE1 :: 130.8 CE2 :: 130.8 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 :: 7.55 HA :: 5.31 HB2 :: 2.56 HB3 :: 2.56 HD1 :: 5.69(S) HD2 :: 6.44 HE1 :: 7.04 HE2 :: 7.04 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 :: 115.2 Ave N Shift Values>> N :: 120.45(4.18) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.6 CA :: 60.6 CB :: 40.4 CG1 :: 27.6 CG2 :: 17.0 CD1 :: 12.9 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 :: 8.79 HA :: 4.47 HB :: 1.67 HG12 :: 1.19 HG13 :: 1.19 HG21 :: 0.91 HG22 :: 0.91 HG23 :: 0.91 HD11 :: 0.91 HD12 :: 0.91 HD13 :: 0.91 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 :: 117.9 Ave N Shift Values>> N :: 121.46(4.28) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 G 0.14 R 0.06 A 0.01 C Shift Assignments>> CA :: 53.5 CB :: 43.5 CG :: 27.1 CD1 :: 25.3 CD2 :: 24.3 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 :: 8.87 HA :: 5.49 HB2 :: 1.68 HB3 :: 1.68 HG :: 1.57 HD11 :: 0.46 HD12 :: 0.46 HD13 :: 0.46 HD21 :: 0.67 HD22 :: 0.67 HD23 :: 0.67 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 :: 131.0 Ave N Shift Values>> N :: 121.86(3.9) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.2 CA :: 60.9 CB :: 72.1 CG2 :: 21.7 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 :: 8.91 HA :: 4.85 HB :: 4.10 HG21 :: 1.14 HG22 :: 1.14 HG23 :: 1.14 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 :: 114.4 Ave N Shift Values>> N :: 115.42(4.75) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 Q 0.33 K 0.06 E 0.04 C Shift Assignments>> C :: 174.7 CA :: 54.2 CB :: 31.3 CG :: 33.6 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 :: 8.42 HA :: 4.94 HB2 :: 1.75 HB3 :: 1.95 HG2 :: 2.13 HG3 :: 2.13 HE21 :: 6.87 HE22 :: 7.07 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 NE2 :: 110.3 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 E 0.32 Q 0.09 C Shift Assignments>> C :: 175.3 CA :: 54.8 CB :: 32.2 CG :: 35.6 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 :: 8.51 HA :: 4.55 HB2 :: 1.71 HB3 :: 1.97 HG2 :: 2.10 HG3 :: 2.10 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 :: 122.7 Ave N Shift Values>> N :: 120.67(3.48) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.08 G 0.02 A 0.01 HN Overlap>> 1.Y12 1.Y12 C Shift Assignments>> C :: 176.9 CA :: 55.6 CB :: 42.3 CG :: 27.2 CD1 :: 25.1 CD2 :: 23.6 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 :: 8.54 HA :: 4.29 HB2 :: 1.60 HB3 :: 1.60 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 HD21 :: 0.83 HD22 :: 0.83 HD23 :: 0.83 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 :: 123.6 Ave N Shift Values>> N :: 121.86(3.9) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.2 F 0.08 Y 0.08 L 0.05 C Shift Assignments>> C :: 174.8 CA :: 53.2 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 :: 8.39 HA :: 4.63 HB2 :: 2.70 HB3 :: 2.80 HD21 :: 6.90 HD22 :: 7.58 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 :: 118.3 ND2 :: 113 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.19 Y 0.08 F 0.08 L 0.05 HN Overlap>> 1.I74 1.I74 C Shift Assignments>> C :: 175.1 CA :: 53.3 CB :: 38.8 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 :: 8.45 HA :: 4.68 HB2 :: 2.70 HB3 :: 2.80 HD21 :: 6.85 HD22 :: 7.57 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 :: 119.4 ND2 :: 112.7 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.37 M 0.08 E 0.08 R 0.04 C Shift Assignments>> C :: 175.9 CA :: 56.1 CB :: 29.3 CG :: 33.7 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 :: 8.33 HA :: 4.28 HB2 :: 1.98 HB3 :: 2.11 HG2 :: 2.35 HG3 :: 2.35 HE21 :: 6.82 HE22 :: 7.22 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 :: 120.6 NE2 :: 111.9 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.22 G 0.01 C Shift Assignments>> CA :: 56.6 CB :: 32.9 CG :: 24.4 CD :: 28.9 CE :: 42.1 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 :: 8.28 HA :: 4.28 HB2 :: 1.74 HB3 :: 1.81 HG2 :: 1.41 HG3 :: 1.41 HD2 :: 1.66 HD3 :: 1.66 HE2 :: 3.00 HE3 :: 3.00 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 :: 121.9 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.24 K 0.11 N 0.11 F 0.09 Y 0.07 R 0.01 C Shift Assignments>> C :: 175.5 CA :: 54.2 CB :: 41.2 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 :: 8.26 HA :: 4.61 HB2 :: 2.68 HB3 :: 2.56 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 :: 120.9 Ave N Shift Values>> N :: 120.65(3.86) 1.D53 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 K 0.13 R 0.03 I 0.01 HN Overlap>> 1.L104 1.L104 1.N38 1.N38 C Shift Assignments>> CA :: 52.6 CB :: 40.9 CG :: 27.5(A) 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 :: 8.08 HA :: 4.84 HB2 :: 2.47 HB3 :: 2.68 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 :: 121.8 Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (CG > CA : 1.0000) (CG > CB : 1.0000) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.5 CA :: 63.0 CB :: 32.1 CG :: 26.8 CD :: 50.7 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 :: 4.37 HB2 :: 1.83 HB3 :: 2.21 HG2 :: 1.98 HG3 :: 1.98 HD2 :: 3.68 HD3 :: 3.77 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) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.1 CA :: 61.0 CB :: 38.4 CG1 :: 26.9 CG2 :: 17.2 CD1 :: 14.4 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 :: 8.14 HA :: 3.96 HB :: 1.74 HG12 :: 1.11 HG13 :: 1.45 HG21 :: 0.84 HG22 :: 0.84 HG23 :: 0.84 HD11 :: 0.84 HD12 :: 0.84 HD13 :: 0.84 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 :: 119.9 Ave N Shift Values>> N :: 121.46(4.28) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.25 L 0.07 F 0.06 Y 0.06 HN Overlap>> 1.D99 1.N76 1.D99 1.N76 C Shift Assignments>> C :: 173.9 CA :: 52.7 CB :: 39.4 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 :: 7.90 HA :: 4.69 HB2 :: 2.52 HB3 :: 2.62 HD21 :: 6.74 HD22 :: 7.47 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 :: 122.0 ND2 :: 112.1 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.3 CA :: 57.6 CB :: 41.7 CD1 :: 132.8 CD2 :: 132.8 CE1 :: 119.3 CE2 :: 119.3 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 :: 7.06 HA :: 4.85 HB2 :: 2.38 HB3 :: 3.09 HD1 :: 6.97 HD2 :: 6.97 HE1 :: 6.84 HE2 :: 6.84 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 :: 119.3 Ave N Shift Values>> N :: 120.52(4.2) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.5 CA :: 59.8 CB :: 71.6 CG2 :: 21.8 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 :: 8.53 HA :: 4.57 HG21 :: 1.30 HG22 :: 1.30 HG23 :: 1.30 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 :: 110.3 Ave N Shift Values>> N :: 115.42(4.75) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 E 0.41 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> C :: 177.9 CA :: 60.8 CB :: 29.4 CG :: 36.1 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 :: 9.19 HA :: 3.76 HB2 :: 1.98 HB3 :: 2.11 HG2 :: 2.24 HG3 :: 2.24 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 :: 122.1 Ave N Shift Values>> N :: 120.67(3.48) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.5 CA :: 61.8 CB :: 62.3 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.48 HA :: 4.06 HB2 :: 3.87 HB3 :: 3.87 HG :: 4.30 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 :: 112.3 Ave N Shift Values>> N :: 116.28(3.52) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.26 K 0.04 M 0.04 Q 0.01 C Shift Assignments>> C :: 180.0 CA :: 59.0 CB :: 30.0 CG :: 37.0 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 :: 7.70 HA :: 4.04 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.24 HG3 :: 2.45 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 :: 122.1 Ave N Shift Values>> N :: 120.67(3.48) 1.L62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 L 0.44 G 0.06 K 0.01 C Shift Assignments>> C :: 167.7(S) CA :: 57.8 CB :: 43.0 CG :: 27.7 CD1 :: 27.1 CD2 :: 23.7 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 :: 8.26 HA :: 4.27 HB2 :: 1.23 HB3 :: 2.02 HG :: 1.80 HD11 :: 0.76 HD12 :: 0.76 HD13 :: 0.76 HD21 :: 0.67 HD22 :: 0.67 HD23 :: 0.67 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 :: 119.3 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 0.67 R 0.31 C Shift Assignments>> C :: 177.6 CA :: 59.2 CB :: 32.4 CG :: 26.3 CD :: 29.2 CE :: 41.9 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 :: 8.56 HA :: 4.15 HB2 :: 1.90 HB3 :: 1.90 HG2 :: 1.47 HG3 :: 1.67 HD2 :: 1.68 HD3 :: 1.68 HE2 :: 2.94 HE3 :: 2.94 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 :: 120.0 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.14 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.9 CA :: 45.0 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.36 HA2 :: 3.75 HA3 :: 4.29 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.3 Ave N Shift Values>> N :: 109.67(3.87) 1.M65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.32 C Shift Assignments>> C :: 174.7 CA :: 55.6 CB :: 35.1 CG :: 32.9 CE :: 17.9 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 :: 7.07 HA :: 4.41 HB2 :: 1.76 HB3 :: 1.91 HG2 :: 2.49 HG3 :: 2.80 HE1 :: 1.56 HE2 :: 1.56 HE3 :: 1.56 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 :: 120.1 Ave N Shift Values>> N :: 120.09(3.57) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.28 L 0.07 F 0.03 Y 0.02 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> C :: 174.4 CA :: 50.9 CB :: 39.9 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 :: 8.61 HA :: 4.57 HB2 :: 2.78 HB3 :: 3.09 HD21 :: 6.69 HD22 :: 7.38 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 :: 117.5 ND2 :: 111.4 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.9 R 0.07 G 0.01 HN Overlap>> 1.N100 1.N100 C Shift Assignments>> C :: 177.4 CA :: 60.2 CB :: 33.5 CG :: 24.5 CD :: 29.9 CE :: 42.0 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 :: 8.11 HA :: 3.93 HB2 :: 1.69 HB3 :: 1.80 HG2 :: 1.15 HG3 :: 1.15 HD2 :: 1.59 HD3 :: 1.59 HE2 :: 2.93 HE3 :: 2.93 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 :: 119.0 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.37 I 0.04 HN Overlap>> 1.K101 1.E103 1.K101 1.E103 C Shift Assignments>> C :: 168.0(S) CA :: 55.2 CB :: 18.0 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.13 HA :: 4.18 HB1 :: 1.43 HB2 :: 1.43 HB3 :: 1.43 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 123.23(3.54) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.38 K 0.04 M 0.02 C Shift Assignments>> C :: 180.1 CA :: 59.3 CB :: 29.7 CG :: 37.2 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 :: 8.04 HA :: 4.06 HB2 :: 1.94 HB3 :: 2.07 HG2 :: 2.22 HG3 :: 2.45 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 :: 119.8 Ave N Shift Values>> N :: 120.67(3.48) 1.H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 Q 0.23 M 0.2 V 0.08 R 0.08 H 0.07 E 0.03 C Shift Assignments>> C :: 178.7 CA :: 58.1 CB :: 33.5 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 :: 8.17 HA :: 4.24 HB2 :: 2.77 HB3 :: 3.48 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 :: 118.0 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 E 0.05 C Shift Assignments>> C :: 178.3 CA :: 61.1 CB :: 28.5 CG :: 38.3 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 :: 9.08 HA :: 3.75 HB2 :: 1.95 HB3 :: 2.24 HG2 :: 2.04 HG3 :: 2.94 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 :: 116.7 Ave N Shift Values>> N :: 120.67(3.48) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.7 CA :: 61.7 CB :: 62.7 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.01 HA :: 4.29 HB2 :: 4.06 HB3 :: 4.06 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 :: 116.1 Ave N Shift Values>> N :: 116.28(3.52) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.3 CA :: 65.5 CB :: 38.7 CG1 :: 29.2 CG2 :: 18.0 CD1 :: 14.4 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 :: 7.54 HA :: 3.79 HB :: 1.93 HG12 :: 0.92 HG13 :: 0.92 HG21 :: 0.93 HG22 :: 0.93 HG23 :: 0.93 HD11 :: 0.58 HD12 :: 0.58 HD13 :: 0.58 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 :: 122.0 Ave N Shift Values>> N :: 121.46(4.28) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.N49 1.N49 C Shift Assignments>> C :: 177.8 CA :: 66.6 CB :: 38.8 CG1 :: 30.4 CG2 :: 18.2 CD1 :: 12.6 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 :: 8.40 HA :: 3.53 HB :: 1.77 HG12 :: 1.77 HG13 :: 1.86 HG21 :: 0.75 HG22 :: 0.75 HG23 :: 0.75 HD11 :: 0.46 HD12 :: 0.46 HD13 :: 0.46 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 :: 119.4 Ave N Shift Values>> N :: 121.46(4.28) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.9 CA :: 61.7 CB :: 63.0 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.65 HA :: 4.76 HB2 :: 3.99 HB3 :: 4.06 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 :: 115.1 Ave N Shift Values>> N :: 116.28(3.52) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.22 N 0.21 D 0.12 L 0.05 E 0.04 I 0.04 M 0.02 HN Overlap>> 1.D99 1.D99 1.N56 1.N56 C Shift Assignments>> C :: 176.9 CA :: 55.8 CB :: 38.5 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 :: 7.98 HA :: 4.61 HB2 :: 3.07 HB3 :: 3.16 HD21 :: 6.95 HD22 :: 7.62 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 :: 122.0 ND2 :: 112.7 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 R 0.22 A 0.05 G 0.02 C Shift Assignments>> C :: 177.5 CA :: 55.6 CB :: 42.3 CG :: 26.7 CD1 :: 27.0 CD2 :: 22.8 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 :: 4.41 HB2 :: 1.88 HB3 :: 2.28 HG :: 1.99 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 HD21 :: 0.91 HD22 :: 0.91 HD23 :: 0.91 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 :: 120.1 Ave N Shift Values>> N :: 121.86(3.9) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.2 CA :: 45.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.96 HA2 :: 3.84 HA3 :: 4.30 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.4 Ave N Shift Values>> N :: 109.67(3.87) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.3 G 0.01 C Shift Assignments>> C :: 174.0 CA :: 52.5 CB :: 32.3 CG :: 26.4 CD :: 41.5 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 :: 7.45 HA :: 4.68 HB2 :: 1.52 HB3 :: 1.69 HG2 :: 1.44 HG3 :: 1.62 HD2 :: 3.12 HD3 :: 3.20 HE :: 7.55 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 :: 119.3 NE :: 83.6 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.N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.73 D 0.16 L 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 50.5 CB :: 39.0 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 :: 8.68 HA :: 4.92 HB2 :: 2.70 HB3 :: 2.96 HD21 :: 6.84 HD22 :: 7.22 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 :: 120.9 ND2 :: 111.2 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.7 CA :: 65.1 CB :: 32.2 CG :: 27.7 CD :: 51.2 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 :: 4.33 HB2 :: 2.11 HB3 :: 2.25 HG2 :: 1.97 HG3 :: 2.17 HD2 :: 3.94 HD3 :: 4.32 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) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3 CA :: 60.3 CB :: 62.7 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.16 HA :: 4.30 HB2 :: 3.87 HB3 :: 3.87 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 :: 112.6 Ave N Shift Values>> N :: 116.28(3.52) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 F 0.2 Y 0.19 N 0.16 L 0.14 I 0.02 K 0.01 C Shift Assignments>> C :: 175.0 CA :: 55.5 CB :: 39.8 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 :: 7.73 HA :: 4.16 HB2 :: 2.08 HB3 :: 2.08 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 :: 120.1 Ave N Shift Values>> N :: 120.65(3.86) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 Y 0.41 HN Overlap>> 1.K96 1.K96 C Shift Assignments>> C :: 176.0 CA :: 57.0 CB :: 41.5 CD1 :: 131.6 CD2 :: 131.6 CE1 :: 131.0 CE2 :: 131.0 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 :: 7.49 HA :: 4.69 HB2 :: 2.89 HB3 :: 2.89 HD1 :: 7.08 HD2 :: 7.08 HE1 :: 6.83 HE2 :: 6.83 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 :: 118.4 Ave N Shift Values>> N :: 120.45(4.18) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.14 C Shift Assignments>> CA :: 57.0 CB :: 34.0 CG :: 24.5 CD :: 28.5 CE :: 41.9 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 :: 9.15 HA :: 4.33 HB2 :: 1.81 HB3 :: 1.90 HG2 :: 1.47 HG3 :: 1.47 HD2 :: 1.63 HD3 :: 1.63 HE2 :: 2.98 HE3 :: 2.98 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 :: 120.4 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.33 L 0.1 F 0.05 Y 0.04 C Shift Assignments>> C :: 174.7 CA :: 52.0 CB :: 40.1 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 :: 7.38 HA :: 4.77 HB2 :: 3.15 HB3 :: 3.15 HD21 :: 6.96 HD22 :: 7.51 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 :: 111.4 ND2 :: 113.8 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.38 I 0.06 V 0.02 L 0.01 C Shift Assignments>> C :: 178.4 CA :: 55.9 CB :: 18.9 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.88 HA :: 4.10 HB1 :: 1.58 HB2 :: 1.58 HB3 :: 1.58 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 123.23(3.54) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.33 I 0.1 D 0.08 L 0.08 N 0.02 K 0.01 C Shift Assignments>> C :: 179.6 CA :: 57.8 CB :: 39.8 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 :: 4.27 HB2 :: 2.65 HB3 :: 2.71 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 :: 117.2 Ave N Shift Values>> N :: 120.65(3.86) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 M 0.18 I 0.09 Q 0.02 K 0.01 C Shift Assignments>> C :: 180.0 CA :: 59.2 CB :: 31.3 CG :: 36.6 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 :: 4.15 HB2 :: 2.15 HB3 :: 2.38 HG2 :: 2.38 HG3 :: 2.79 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 :: 118.7 Ave N Shift Values>> N :: 120.67(3.48) 1.R90 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.67 G 0.19 K 0.1 I 0.03 C Shift Assignments>> CA :: 60.2 CB :: 30.9 CD :: 43.4 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 :: 7.75 HA :: 3.38 HB2 :: 1.22 HB3 :: 1.92 HG2 :: 1.16 HG3 :: 1.98 HD2 :: 3.15 HD3 :: 3.38 HE :: 9.31 HH11 :: 4.41(A) HH12 :: 4.41(A) HH21 :: 3.87(A) HH22 :: 3.87(A) 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 :: 118.8 NE :: 86.8 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.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.7 CA :: 66.0 CB :: 38.3 CG1 :: 30.2 CG2 :: 16.4 CD1 :: 13.6 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 :: 8.42 HA :: 3.09 HB :: 1.75 HG12 :: 0.38 HG13 :: 1.46 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 :: 118.0 Ave N Shift Values>> N :: 121.46(4.28) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.44 I 0.03 C Shift Assignments>> C :: 180.4 CA :: 55.1 CB :: 18.3 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.90 HA :: 3.99 HB1 :: 1.48 HB2 :: 1.48 HB3 :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 123.23(3.54) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.78 F 0.21 C Shift Assignments>> C :: 177.0 CA :: 61.8 CB :: 38.8 CD1 :: 133.2 CD2 :: 133.2 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 :: 7.43 HA :: 4.12 HB2 :: 2.55 HB3 :: 3.10 HD1 :: 6.86 HD2 :: 6.86 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 :: 117.1 Ave N Shift Values>> N :: 120.52(4.2) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.0 CA :: 66.2 CB :: 38.2 CG1 :: 29.4 CG2 :: 18.5 CD1 :: 13.3 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 :: 7.84 HA :: 3.00 HB :: 1.65 HG12 :: 1.63 HG13 :: 1.94 HG21 :: 0.80 HG22 :: 0.80 HG23 :: 0.80 HD11 :: 0.63 HD12 :: 0.63 HD13 :: 0.63 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 :: 119.4 Ave N Shift Values>> N :: 121.46(4.28) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> C :: 179.4 CA :: 57.7 CB :: 41.7 CG :: 26.0 CD1 :: 23.9 CD2 :: 23.9 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 :: 8.31 HA :: 3.91 HB2 :: 1.43 HB3 :: 1.73 HG :: 1.66 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 HD21 :: 0.73 HD22 :: 0.73 HD23 :: 0.73 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 :: 116.3 Ave N Shift Values>> N :: 121.86(3.9) 1.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.24 G 0.01 HN Overlap>> 1.F84 1.F84 C Shift Assignments>> C :: 178.1 CA :: 58.3 CB :: 32.1 CG :: 24.8 CD :: 29.0 CE :: 42.1 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 :: 7.50 HA :: 4.09 HB2 :: 1.86 HB3 :: 1.86 HG2 :: 1.45 HG3 :: 1.52 HD2 :: 1.70 HD3 :: 1.70 HE2 :: 3.01 HE3 :: 3.01 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 :: 118.4 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.33 R 0.26 M 0.05 E 0.01 C Shift Assignments>> C :: 177.8 CA :: 56.2 CB :: 27.9 CG :: 32.9 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 :: 7.72 HA :: 4.09 HB2 :: 1.84 HB3 :: 2.09 HG2 :: 2.04 HG3 :: 2.04 HE21 :: 6.58 HE22 :: 6.90 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 :: 116.5 NE2 :: 114.3 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.8 CA :: 63.1 CB :: 38.4 CG1 :: 27.5 CG2 :: 17.3 CD1 :: 14.3 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 :: 7.74 HA :: 3.98 HB :: 1.98 HG12 :: 1.29 HG13 :: 1.66 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 HD11 :: 0.96 HD12 :: 0.96 HD13 :: 0.96 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 :: 118.2 Ave N Shift Values>> N :: 121.46(4.28) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 F 0.13 K 0.13 Y 0.1 N 0.07 R 0.01 HN Overlap>> 1.N76 1.N56 1.N76 1.N56 C Shift Assignments>> C :: 176.6 CA :: 55.1 CB :: 41.1 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 :: 7.99 HA :: 4.61 HB2 :: 2.70 HB3 :: 2.70 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 :: 122.0 Ave N Shift Values>> N :: 120.65(3.86) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.18 Y 0.11 F 0.1 L 0.05 M 0.01 E 0.01 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> C :: 175.9 CA :: 53.8 CB :: 38.7 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 :: 8.15 HA :: 4.67 HB2 :: 2.84 HB3 :: 2.84 HD21 :: 6.88 HD22 :: 7.56 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 :: 118.9 ND2 :: 112.2 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.28 G 0.01 HN Overlap>> 1.A68 1.A68 1.E103 1.E103 C Shift Assignments>> C :: 177.5 CA :: 57.3 CB :: 32.3 CG :: 24.8 CD :: 28.8 CE :: 42.1 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 :: 4.25 HB2 :: 1.90 HB3 :: 1.90 HG2 :: 1.44 HG3 :: 1.44 HD2 :: 1.68 HD3 :: 1.68 HE2 :: 2.98 HE3 :: 2.98 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 :: 120.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> CA :: 45.8 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.32 HA2 :: 3.94 HA3 :: 3.94 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6 Ave N Shift Values>> N :: 109.67(3.87) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 M 0.13 Q 0.12 K 0.12 I 0.04 HN Overlap>> 1.A68 1.K101 1.A68 1.K101 C Shift Assignments>> C :: 177.0 CA :: 56.9 CB :: 30.1 CG :: 36.0 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 :: 8.16 HA :: 4.25 HB2 :: 1.97 HB3 :: 2.07 HG2 :: 2.28 HG3 :: 2.28 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 :: 120.5 Ave N Shift Values>> N :: 120.67(3.48) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.04 A 0.01 G 0.01 HN Overlap>> 1.D53 1.D53 C Shift Assignments>> C :: 177.7 CA :: 55.9 CB :: 42.2 CG :: 27.0 CD1 :: 24.8 CD2 :: 23.4 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 :: 8.16 HA :: 4.22 HB2 :: 1.54 HB3 :: 1.64 HG :: 1.62 HD11 :: 0.90 HD12 :: 0.90 HD13 :: 0.90 HD21 :: 0.84 HD22 :: 0.84 HD23 :: 0.84 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 :: 121.8 Ave N Shift Values>> N :: 121.86(3.9) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.19 H 0.19 R 0.18 Q 0.18 K 0.12 M 0.07 I 0.01 C Shift Assignments>> C :: 176.5 CA :: 56.9 CB :: 30.0 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 :: 8.14 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 :: 119.7 Ave N Shift Values>> N :: 120.67(3.48) 1.H106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.2 R 0.17 E 0.16 K 0.15 M 0.07 C Shift Assignments>> C :: 173.7 CA :: 55.7 CB :: 29.7 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 :: 8.22 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 :: 118.3 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 K 0.19 H 0.19 E 0.15 R 0.14 M 0.05 L 0.02 I 0.01 C Shift Assignments>> C :: 174.6 CA :: 55.8 CB :: 29.2 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) H Shift Assignments>> H :: 8.25 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 :: 125.3 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H108 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.28 R 0.19 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.7 CA :: 44.3(A) 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 :: 8.30 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 :: 118.8 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 102 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 105 #Suspicious: 0 #Mistyped: 3 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 1 C Shift Results: #Consistent: 472 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 3 H Shift Results: #Consistent: 758 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 4 N Shift Results: #Consistent: 121 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N13 HA = 6.04(S), Expected = 4.67, Std = 0.3600, ChiSquare = 1.4149e-04 1.L35 HD11 = -0.37(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3342e-05 1.L35 HD12 = -0.37(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3342e-05 1.L35 HD13 = -0.37(S), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3342e-05 1.Y40 Typing: Mistyped 1.Y40 CG = 36.6(A), Expected = 129.75, Std = 4.9600, ChiSquare = 1.0958e-78 1.F41 HD1 = 5.69(S), Expected = 7.06, Std = 0.3100, ChiSquare = 9.8996e-06 1.D53 Typing: Mistyped 1.D53 CG = 27.5(A), Expected = 179.17, Std = 1.7900, ChiSquare = 0.0000e+00 1.D53 SRO Rule Break>> CG > CA : 1 1.D53 SRO Rule Break>> CG > CB : 1 1.L62 C = 167.7(S), Expected = 176.99, Std = 1.9800, ChiSquare = 2.7065e-06 1.A68 C = 168.0(S), Expected = 177.74, Std = 2.1300, ChiSquare = 4.8132e-06 1.R90 HH11 = 4.41(A), Expected = 6.91, Std = 0.4600, ChiSquare = 5.4863e-08 1.R90 HH12 = 4.41(A), Expected = 6.80, Std = 0.3300, ChiSquare = 4.4073e-13 1.R90 HH21 = 3.87(A), Expected = 6.81, Std = 0.4800, ChiSquare = 9.0684e-10 1.R90 HH22 = 3.87(A), Expected = 6.76, Std = 0.3600, ChiSquare = 9.9254e-16 1.H108 Typing: Mistyped 1.H108 CA = 44.3(A), Expected = 56.52, Std = 2.3100, ChiSquare = 1.2229e-07