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>> M 0.44 C 0.38 A 0.16 C Shift Assignments>> C :: 172.4 CA :: 55.5 CB :: 33.9 CG :: 31.6 CE :: 17.3 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.14 HB2 :: 2.15 HB3 :: 2.15 HG2 :: 2.52 HG3 :: 2.61 HE1 :: 2.03 HE2 :: 2.03 HE3 :: 2.03 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 M 0.18 Q 0.05 K 0.05 I 0.01 C Shift Assignments>> C :: 176.3 CA :: 55.8 CB :: 31.0 CG :: 36.0 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.07 HA :: 4.52 HB2 :: 1.91 HB3 :: 2.21 HG2 :: 2.34 HG3 :: 2.37 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.1 Ave N Shift Values>> N :: 120.68(3.68) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.43 R 0.11 C Shift Assignments>> C :: 177.4 CA :: 58.3 CB :: 41.5 CG :: 27.1 CD1 :: 23.3 CD2 :: 26.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.75 HA :: 3.75 HB2 :: 1.41 HB3 :: 1.75 HG :: 1.42 HD11 :: 0.45 HD12 :: 0.45 HD13 :: 0.45 HD21 :: 0.82 HD22 :: 0.82 HD23 :: 0.82 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.6 Ave N Shift Values>> N :: 121.98(4.07) 1.S4 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 :: 61.5 CB :: 62.0 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.35 HA :: 3.89 HB2 :: 3.91 HB3 :: 3.91 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.9 Ave N Shift Values>> N :: 116.3(3.95) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 N 0.32 D 0.28 C Shift Assignments>> C :: 177.4 CA :: 56.0 CB :: 39.4 CG :: 176.3 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.18 HA :: 4.47 HB2 :: 2.88 HB3 :: 2.88 HD21 :: 7.65 HD22 :: 7.05 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.6 ND2 :: 114.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.12 K 0.1 Q 0.04 M 0.03 HN Overlap>> 1.V9 1.V9 C Shift Assignments>> C :: 178.5 CA :: 58.1 CB :: 29.3 CG :: 36.3 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.95 HA :: 4.07 HB2 :: 1.73 HB3 :: 1.88 HG2 :: 2.02 HG3 :: 2.32 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.6 Ave N Shift Values>> N :: 120.68(3.68) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.34 C Shift Assignments>> C :: 177.7 CA :: 58.3 CB :: 40.6 CG :: 25.9 CD1 :: 22.4 CD2 :: 25.9 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.14 HA :: 3.64 HB2 :: 1.12 HB3 :: 1.98 HG :: 1.81 HD11 :: 0.33 HD12 :: 0.33 HD13 :: 0.33 HD21 :: 0.68 HD22 :: 0.68 HD23 :: 0.68 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.5 Ave N Shift Values>> N :: 121.98(4.07) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.15 M 0.03 G 0.01 C Shift Assignments>> C :: 178.3 CA :: 59.7 CB :: 32.3 CG :: 24.7 CD :: 29.9 CE :: 42.1 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.09 HA :: 4.08 HB2 :: 1.68 HB3 :: 2.16 HG2 :: 1.30 HG3 :: 1.49 HD2 :: 1.67 HD3 :: 1.67 HE2 :: 2.86 HE3 :: 2.94 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> C :: 179.5 CA :: 66.7 CB :: 31.6 CG1 :: 20.7 CG2 :: 22.9 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.94 HA :: 3.44 HB :: 2.21 HG11 :: 0.83 HG12 :: 0.83 HG13 :: 0.83 HG21 :: 1.00 HG22 :: 1.00 HG23 :: 1.00 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.6 Ave N Shift Values>> N :: 121.02(4.96) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.27 K 0.15 I 0.1 Q 0.1 M 0.01 R 0.01 C Shift Assignments>> C :: 178.7 CA :: 58.3 CB :: 28.5 CG :: 35.6 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.83 HA :: 4.13 HB2 :: 1.99 HB3 :: 1.99 HG2 :: 2.03 HG3 :: 2.56 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.3 Ave N Shift Values>> N :: 120.68(3.68) 1.R11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 R 0.3 K 0.07 G 0.03 L 0.01 C Shift Assignments>> C :: 174.6 CA :: 61.3 CB :: 28.5 CG :: 28.4 CD :: 42.1 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.33 HA :: 3.77 HB2 :: 2.24 HB3 :: 2.24 HG2 :: 1.40 HG3 :: 1.89 HD2 :: 2.83 HD3 :: 3.42 HE :: 10.44(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.4 NE :: 82.4 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 HN Overlap>> 1.Q30 1.Q30 C Shift Assignments>> C :: 181.4 CA :: 64.8 CB :: 37.7 CG1 :: 29.4 CG2 :: 17.0 CD1 :: 13.6 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.54 HA :: 3.78 HB :: 1.92 HG12 :: 1.19 HG13 :: 1.71 HG21 :: 0.90 HG22 :: 0.90 HG23 :: 0.90 HD11 :: 0.81 HD12 :: 0.81 HD13 :: 0.81 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 121.6(4.72) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.1 K 0.05 C Shift Assignments>> C :: 178.6 CA :: 59.6 CB :: 30.0 CG :: 27.5 CD :: 43.5 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.47 HA :: 4.06 HB2 :: 1.99 HB3 :: 2.01 HG2 :: 1.63 HG3 :: 1.79 HD2 :: 3.13 HD3 :: 3.13 HE :: 7.35 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.6 NE :: 83.5 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.26 R 0.1 G 0.06 A 0.05 C Shift Assignments>> C :: 176.0 CA :: 55.3 CB :: 43.0 CG :: 26.5 CD1 :: 26.4 CD2 :: 22.5 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.43 HA :: 4.24 HB2 :: 1.60 HB3 :: 1.95 HG :: 1.75 HD11 :: 0.71 HD12 :: 0.71 HD13 :: 0.71 HD21 :: 0.82 HD22 :: 0.82 HD23 :: 0.82 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.5 Ave N Shift Values>> N :: 121.98(4.07) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.0 CA :: 58.7 CB :: 61.3 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.26 HA :: 4.03 HB2 :: 4.06 HB3 :: 4.17 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.5 Ave N Shift Values>> N :: 116.3(3.95) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.18 C 0.16 A 0.11 R 0.02 C Shift Assignments>> C :: 177.9 CA :: 52.6 CB :: 43.5 CG :: 26.0 CD1 :: 26.0 CD2 :: 22.6 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.31 HA :: 4.88 HB2 :: 1.27 HB3 :: 1.72 HG :: 1.68 HD11 :: 0.97 HD12 :: 0.97 HD13 :: 0.97 HD21 :: 0.93 HD22 :: 0.93 HD23 :: 0.93 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.8 Ave N Shift Values>> N :: 121.98(4.07) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 174.9 CA :: 60.5 CB :: 70.5 CG2 :: 21.9 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.64 HA :: 4.25 HB :: 4.74 HG21 :: 1.37 HG22 :: 1.37 HG23 :: 1.37 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.2 Ave N Shift Values>> N :: 115.7(5.05) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 178.9 CA :: 55.2 CB :: 17.8 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.82 HA :: 3.68 HB1 :: 1.31 HB2 :: 1.31 HB3 :: 1.31 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.6 Ave N Shift Values>> N :: 123.23(3.7) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.41 R 0.12 M 0.02 G 0.01 C Shift Assignments>> C :: 177.9 CA :: 59.8 CB :: 33.3 CG :: 24.6 CD :: 29.6 CE :: 42.0 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.28 HA :: 3.74 HB2 :: 1.68 HB3 :: 1.83 HG2 :: 1.28 HG3 :: 1.39 HD2 :: 1.61 HD3 :: 1.61 HE2 :: 2.95 HE3 :: 2.95 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.2 CA :: 61.9 CB :: 63.0 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.86 HA :: 4.21 HB2 :: 3.93 HB3 :: 3.93 HG :: 5.70 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.6 Ave N Shift Values>> N :: 116.3(3.95) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.5 CA :: 66.8 CB :: 31.4 CG1 :: 22.3 CG2 :: 24.6 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.83 HA :: 3.28 HB :: 1.74 HG11 :: 0.35 HG12 :: 0.35 HG13 :: 0.35 HG21 :: 1.04 HG22 :: 1.04 HG23 :: 1.04 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.6 Ave N Shift Values>> N :: 121.02(4.96) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.21 I 0.06 C 0.02 HN Overlap>> 1.K69 1.K69 1.I48 1.I48 C Shift Assignments>> C :: 179.5 CA :: 55.5 CB :: 16.9 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.23 HA :: 3.51 HB1 :: 1.24 HB2 :: 1.24 HB3 :: 1.24 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 123.23(3.7) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.23 K 0.06 M 0.01 Q 0.01 C Shift Assignments>> C :: 180.0 CA :: 59.3 CB :: 29.3 CG :: 36.6 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.90 HA :: 3.99 HB2 :: 2.00 HB3 :: 2.14 HG2 :: 2.25 HG3 :: 2.49 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.3 Ave N Shift Values>> N :: 120.68(3.68) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.27 K 0.04 M 0.01 C Shift Assignments>> C :: 179.1 CA :: 59.7 CB :: 29.5 CG :: 36.8 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.95 HA :: 4.06 HB2 :: 2.07 HB3 :: 2.13 HG2 :: 2.34 HG3 :: 2.50 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 120.68(3.68) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.45 A 0.02 I 0.01 C Shift Assignments>> C :: 176.6 CA :: 57.1 CB :: 34.9 CG :: 32.2 CE :: 15.9 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.15 HA :: 4.11 HB2 :: 1.76 HB3 :: 1.92 HG2 :: 1.91 HG3 :: 2.04 HE1 :: 1.59 HE2 :: 1.59 HE3 :: 1.59 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.5 Ave N Shift Values>> N :: 120.1(3.88) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 175.1 CA :: 46.6 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.94 HA2 :: 3.86 HA3 :: 3.96 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.0 Ave N Shift Values>> N :: 109.91(4.29) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.49 A 0.01 HN Overlap>> 1.T40 1.T40 C Shift Assignments>> C :: 174.3 CA :: 59.0 CB :: 40.9 CG1 :: 24.5 CG2 :: 17.1 CD1 :: 13.4 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.88 HA :: 4.79 HB :: 1.98 HG12 :: 0.78 HG13 :: 1.23 HG21 :: 0.72 HG22 :: 0.72 HG23 :: 0.72 HD11 :: 0.46 HD12 :: 0.46 HD13 :: 0.46 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 112.7 Ave N Shift Values>> N :: 121.6(4.72) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.6 CA :: 56.8 CB :: 65.5 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.57 HA :: 4.54 HB2 :: 3.94 HB3 :: 4.35 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.4 Ave N Shift Values>> N :: 116.3(3.95) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.1 K 0.06 L 0.01 C Shift Assignments>> C :: 178.7 CA :: 59.5 CB :: 29.5 CG :: 27.9 CD :: 43.4 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.98 HA :: 3.66 HB2 :: 1.78 HB3 :: 1.78 HG2 :: 1.51 HG3 :: 1.51 HD2 :: 3.07 HD3 :: 3.10 HE :: 7.35 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.0 NE :: 83.5 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.37 E 0.17 HN Overlap>> 1.I12 1.I12 C Shift Assignments>> C :: 178.1 CA :: 59.2 CB :: 28.1 CG :: 33.9 CD :: 180.4 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.58 HA :: 3.86 HB2 :: 1.89 HB3 :: 2.09 HG2 :: 2.30 HG3 :: 2.39 HE21 :: 7.47 HE22 :: 6.96 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.7 NE2 :: 113.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.29 Q 0.28 C Shift Assignments>> C :: 178.7 CA :: 59.1 CB :: 28.7 CG :: 35.0 CD :: 180.0 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.99 HA :: 3.98 HB2 :: 1.88 HB3 :: 2.28 HG2 :: 2.34 HG3 :: 2.40 HE21 :: 7.60 HE22 :: 7.02 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.6 NE2 :: 112.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.41 R 0.1 HN Overlap>> 1.K46 1.K46 C Shift Assignments>> C :: 178.3 CA :: 57.7 CB :: 41.5 CG :: 27.1 CD1 :: 23.0 CD2 :: 26.1 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.63 HA :: 3.74 HB2 :: 1.07 HB3 :: 1.89 HG :: 1.31 HD11 :: 0.22 HD12 :: 0.22 HD13 :: 0.22 HD21 :: 0.58 HD22 :: 0.58 HD23 :: 0.58 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 121.98(4.07) 1.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 P 0.42 C 0.07 R 0.01 V 0.01 HN Overlap>> 1.N34 1.N34 C Shift Assignments>> C :: 177.0 CA :: 63.1 CB :: 26.1 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.24 HA :: 3.99 HB2 :: 2.85 HB3 :: 2.87 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.4 Ave N Shift Values>> N :: 119.95(4.79) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 N 0.35 D 0.1 HN Overlap>> 1.C33 1.C33 C Shift Assignments>> C :: 178.7 CA :: 56.0 CB :: 37.8 CG :: 176.0 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.21 HA :: 4.37 HB2 :: 2.82 HB3 :: 2.94 HD21 :: 7.59 HD22 :: 6.95 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.3 ND2 :: 111.1 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 178.1 CA :: 64.8 CB :: 38.0 CG1 :: 28.2 CG2 :: 17.9 CD1 :: 14.4 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.85 HA :: 3.85 HB :: 2.08 HG12 :: 1.20 HG13 :: 1.78 HG21 :: 0.98 HG22 :: 0.98 HG23 :: 0.98 HD11 :: 0.67 HD12 :: 0.67 HD13 :: 0.67 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 121.6(4.72) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 I 0.28 E 0.26 M 0.01 K 0.01 C Shift Assignments>> C :: 176.3 CA :: 58.6 CB :: 30.0 CG :: 38.2 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.68 HA :: 4.12 HB2 :: 2.08 HB3 :: 2.08 HG2 :: 2.13 HG3 :: 2.71 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.5 Ave N Shift Values>> N :: 120.68(3.68) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 C 0.37 E 0.24 C Shift Assignments>> C :: 176.0 CA :: 54.9 CB :: 29.6 CG :: 34.1 CD :: 180.8 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.63 HA :: 4.54 HB2 :: 2.04 HB3 :: 2.18 HG2 :: 2.46 HG3 :: 2.46 HE21 :: 7.41 HE22 :: 6.85 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.0 NE2 :: 111.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.5 CA :: 59.2 CB :: 64.1 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.38 HA :: 4.41 HB2 :: 4.03 HB3 :: 4.06 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.2 Ave N Shift Values>> N :: 116.3(3.95) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.09 K 0.07 I 0.06 Q 0.04 C Shift Assignments>> C :: 176.3 CA :: 57.1 CB :: 30.3 CG :: 36.3 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.04 HA :: 4.45 HB2 :: 2.00 HB3 :: 2.21 HG2 :: 2.26 HG3 :: 2.38 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.4 Ave N Shift Values>> N :: 120.68(3.68) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 HN Overlap>> 1.I27 1.I27 C Shift Assignments>> C :: 173.5 CA :: 60.5 CB :: 71.1 CG2 :: 21.5 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.92 HA :: 4.59 HB :: 4.10 HG21 :: 1.16 HG22 :: 1.16 HG23 :: 1.16 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.8 Ave N Shift Values>> N :: 115.7(5.05) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.06 C 0.02 C Shift Assignments>> CA :: 49.7 CB :: 19.3 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.78 HA :: 4.87 HB1 :: 1.35 HB2 :: 1.35 HB3 :: 1.35 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.0 Ave N Shift Values>> N :: 123.23(3.7) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 178.3 CA :: 62.5 CB :: 32.6 CG :: 27.9 CD :: 50.6 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.66 HB2 :: 2.09 HB3 :: 2.61 HG2 :: 1.94 HG3 :: 2.20 HD2 :: 3.53 HD3 :: 4.01 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> CA :: 66.8 CB :: 31.1 CG1 :: 22.1 CG2 :: 22.7 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.84 HA :: 3.66 HB :: 2.16 HG11 :: 0.91 HG12 :: 0.91 HG13 :: 0.91 HG21 :: 1.10 HG22 :: 1.10 HG23 :: 1.10 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.0 Ave N Shift Values>> N :: 121.02(4.96) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 176.7 CA :: 65.9 CB :: 30.9 CG1 :: 20.9 CG2 :: 22.0 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> HA :: 4.03 HB :: 2.27 HG11 :: 0.96 HG12 :: 0.96 HG13 :: 0.96 HG21 :: 1.10 HG22 :: 1.10 HG23 :: 1.10 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.5 CA :: 66.7 CB :: 31.0 CG1 :: 22.3 CG2 :: 24.4 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.50 HA :: 3.76 HB :: 2.30 HG11 :: 1.12 HG12 :: 1.12 HG13 :: 1.12 HG21 :: 1.05 HG22 :: 1.05 HG23 :: 1.05 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 121.02(4.96) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.34 R 0.24 M 0.01 G 0.01 HN Overlap>> 1.L32 1.L32 C Shift Assignments>> C :: 179.5 CA :: 59.9 CB :: 31.5 CG :: 25.8 CD :: 29.7 CE :: 42.0 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.61 HA :: 4.14 HB2 :: 2.00 HB3 :: 2.10 HG2 :: 1.45 HG3 :: 1.59 HD2 :: 1.67 HD3 :: 1.71 HE2 :: 3.06 HE3 :: 3.06 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 C Shift Assignments>> C :: 177.3 CA :: 57.3 CB :: 37.7 CD1 :: 131.7 CD2 :: 131.7 CE1 :: 117.9 CE2 :: 117.9 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.55 HA :: 5.00 HB2 :: 2.94 HB3 :: 3.44 HD1 :: 7.10 HD2 :: 7.10 HE1 :: 6.51 HE2 :: 6.51 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.7 Ave N Shift Values>> N :: 120.79(4.69) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 HN Overlap>> 1.K69 1.A22 1.K69 1.A22 C Shift Assignments>> C :: 177.1 CA :: 67.0 CB :: 37.8 CG1 :: 30.3 CG2 :: 18.7 CD1 :: 13.9 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.25 HA :: 3.16 HB :: 1.86 HG12 :: 0.68 HG13 :: 2.07 HG21 :: 0.22 HG22 :: 0.22 HG23 :: 0.22 HD11 :: 0.97 HD12 :: 0.97 HD13 :: 0.97 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 121.6(4.72) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.31 I 0.05 C 0.03 C Shift Assignments>> C :: 179.3 CA :: 55.5 CB :: 18.20 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.31 HA :: 3.94 HB1 :: 1.73 HB2 :: 1.73 HB3 :: 1.73 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.3 Ave N Shift Values>> N :: 123.23(3.7) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.38 C 0.19 C Shift Assignments>> C :: 179.0 CA :: 61.3 CB :: 39.2 CD1 :: 131.7 CD2 :: 131.7 CE1 :: 130.0 CE2 :: 130.0 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.63 HA :: 4.20 HB2 :: 3.38 HB3 :: 3.70 HD1 :: 7.21 HD2 :: 7.21 HE1 :: 7.31 HE2 :: 7.31 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 120.69(4.18) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 L 0.18 A 0.03 C Shift Assignments>> C :: 180.0 CA :: 58.1 CB :: 39.8 CG :: 26.7 CD1 :: 26.6 CD2 :: 20.8 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.92 HA :: 3.63 HB2 :: 0.94 HB3 :: 1.78 HG :: 1.68 HD11 :: 0.33 HD12 :: 0.33 HD13 :: 0.33 HD21 :: 0.71 HD22 :: 0.71 HD23 :: 0.71 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 121.98(4.07) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 C 0.24 L 0.18 R 0.15 I 0.06 G 0.01 C Shift Assignments>> C :: 179.8 CA :: 57.8 CB :: 28.2 CD :: 42.2 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.41 HA :: 4.42 HB2 :: 1.69 HB3 :: 2.27 HG2 :: 1.54 HG3 :: 1.86 HD2 :: 3.17 HD3 :: 3.75 HE :: 8.31 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.5 NE :: 86.4 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6 CA :: 61.5 CB :: 62.3 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.48 HA :: 4.30 HB2 :: 4.01 HB3 :: 4.01 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 116.3(3.95) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.31 K 0.17 G 0.04 A 0.03 M 0.01 C Shift Assignments>> C :: 176.5 CA :: 53.7 CB :: 31.8 CG :: 23.3 CD :: 27.2 CE :: 42.8 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.08 HA :: 4.35 HB2 :: 1.72 HB3 :: 2.03 HG2 :: 0.75 HG3 :: 0.87 HD2 :: 1.36 HD3 :: 1.36 HE2 :: 2.29 HE3 :: 2.70 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.5 CA :: 44.7 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.04 HA2 :: 3.54 HA3 :: 4.30 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.6 Ave N Shift Values>> N :: 109.91(4.29) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 174.7 CA :: 64.0 CB :: 31.6 CG1 :: 21.0 CG2 :: 25.0 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.58 HA :: 3.63 HB :: 1.25 HG11 :: 0.60 HG12 :: 0.60 HG13 :: 0.60 HG21 :: 0.95 HG22 :: 0.95 HG23 :: 0.95 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.0 Ave N Shift Values>> N :: 121.02(4.96) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.29 C 0.12 L 0.08 F 0.05 Y 0.05 K 0.01 C Shift Assignments>> C :: 176.9 CA :: 52.6 CB :: 39.9 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.44 HA :: 4.50 HB2 :: 2.69 HB3 :: 2.93 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.1 Ave N Shift Values>> N :: 120.73(4.2) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.27 L 0.23 G 0.08 A 0.06 C Shift Assignments>> C :: 179.4 CA :: 56.3 CB :: 43.3 CG :: 26.4 CD1 :: 27.5 CD2 :: 21.5 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.72 HA :: 4.02 HB2 :: 1.08 HB3 :: 1.76 HG :: 1.70 HD11 :: 0.33 HD12 :: 0.33 HD13 :: 0.33 HD21 :: 0.54 HD22 :: 0.54 HD23 :: 0.54 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.8 Ave N Shift Values>> N :: 121.98(4.07) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 N 0.14 D 0.01 C Shift Assignments>> C :: 176.3 CA :: 56.3 CB :: 36.4 CG :: 175.0 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.74 HA :: 4.34 HB2 :: 2.65 HB3 :: 3.13 HD21 :: 7.74 HD22 :: 7.12 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.5 ND2 :: 112.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.44 C 0.02 I 0.01 C Shift Assignments>> C :: 180.1 CA :: 54.3 CB :: 18.2 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.22 HA :: 4.03 HB1 :: 1.31 HB2 :: 1.31 HB3 :: 1.31 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 123.23(3.7) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.34 R 0.13 G 0.03 C Shift Assignments>> C :: 177.2 CA :: 58.5 CB :: 42.6 CG :: 27.2 CD1 :: 25.0 CD2 :: 25.4 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.32 HA :: 3.84 HB2 :: 1.48 HB3 :: 1.79 HG :: 1.06 HD11 :: 0.59 HD12 :: 0.59 HD13 :: 0.59 HD21 :: 0.41 HD22 :: 0.41 HD23 :: 0.41 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.6 Ave N Shift Values>> N :: 121.98(4.07) 1.F62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.24 C Shift Assignments>> C :: 178.2 CA :: 62.8 CB :: 38.5 CD1 :: 131.7 CD2 :: 131.7 CE1 :: 129.9 CE2 :: 129.9 CZ :: 128.6 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.36 HA :: 3.93 HB2 :: 2.86 HB3 :: 3.06 HD1 :: 7.41 HD2 :: 7.41 HE1 :: 7.05 HE2 :: 7.05 HZ :: 6.96 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.4 Ave N Shift Values>> N :: 120.69(4.18) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.25 C 0.19 I 0.08 D 0.07 L 0.06 N 0.02 K 0.02 E 0.01 C Shift Assignments>> C :: 178.6 CA :: 57.5 CB :: 39.6 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.68 HA :: 4.53 HB2 :: 2.56 HB3 :: 2.75 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 120.73(4.2) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 G 0.14 K 0.04 C Shift Assignments>> C :: 177.6 CA :: 58.3 CB :: 30.0 CG :: 27.7 CD :: 43.9 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.54 HA :: 4.29 HB2 :: 1.70 HB3 :: 2.00 HG2 :: 1.62 HG3 :: 1.82 HD2 :: 3.01 HD3 :: 3.24 HE :: 7.34 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.8 NE :: 84.1 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 177.0 CA :: 62.6 CB :: 38.7 CG1 :: 27.3 CG2 :: 17.5 CD1 :: 13.8 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.26 HA :: 4.13 HB :: 1.93 HG12 :: 1.07 HG13 :: 1.42 HG21 :: 0.75 HG22 :: 0.75 HG23 :: 0.75 HD11 :: 0.33 HD12 :: 0.33 HD13 :: 0.33 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.0 Ave N Shift Values>> N :: 121.6(4.72) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 176.4 CA :: 63.1 CB :: 38.8 CG1 :: 28.4 CG2 :: 17.5 CD1 :: 13.8 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.98 HA :: 4.00 HB :: 1.91 HG12 :: 1.23 HG13 :: 1.71 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 HD11 :: 0.92 HD12 :: 0.92 HD13 :: 0.92 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 121.6(4.72) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 177.3 CA :: 63.9 CB :: 32.5 CG1 :: 21.2 CG2 :: 21.6 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.13 HA :: 3.98 HB :: 2.10 HG11 :: 0.93 HG12 :: 0.93 HG13 :: 0.93 HG21 :: 1.00 HG22 :: 1.00 HG23 :: 1.00 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.6 Ave N Shift Values>> N :: 121.02(4.96) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.3 C 0.23 C Shift Assignments>> CA :: 54.2 CB :: 39.1 CG :: 176.8 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.17 HA :: 4.68 HB2 :: 2.83 HB3 :: 2.83 HD21 :: 7.82 HD22 :: 7.05 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.5 ND2 :: 113.2 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.18 M 0.02 HN Overlap>> 1.A22 1.I48 1.A22 1.I48 C Shift Assignments>> C :: 176.9 CA :: 57.0 CB :: 32.8 CG :: 24.9 CD :: 29.0 CE :: 42.0 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.23 HA :: 4.26 HB2 :: 1.84 HB3 :: 1.89 HG2 :: 1.43 HG3 :: 1.48 HD2 :: 1.68 HD3 :: 1.68 HE2 :: 2.98 HE3 :: 2.98 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.29 R 0.05 A 0.01 G 0.01 C Shift Assignments>> C :: 178.9 CA :: 55.4 CB :: 42.1 CG :: 26.9 CD1 :: 24.9 CD2 :: 23.4 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.15 HA :: 4.30 HB2 :: 1.54 HB3 :: 1.70 HG :: 1.63 HD11 :: 0.90 HD12 :: 0.90 HD13 :: 0.90 HD21 :: 0.85 HD22 :: 0.85 HD23 :: 0.85 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 121.98(4.07) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 M 0.1 K 0.09 Q 0.07 I 0.04 C Shift Assignments>> C :: 176.3 CA :: 56.6 CB :: 30.2 CG :: 36.0 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.21 HA :: 4.18 HB2 :: 1.90 HB3 :: 1.90 HG2 :: 2.15 HG3 :: 2.21 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.9 Ave N Shift Values>> N :: 120.68(3.68) 1.H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.16 K 0.14 R 0.13 C 0.13 E 0.13 M 0.06 L 0.01 I 0.01 C Shift Assignments>> C :: 174.6 CA :: 55.6 CB :: 29.6 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.38 HA :: 4.60 HB2 :: 3.11 HB3 :: 3.11 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.16 K 0.14 R 0.13 E 0.13 C 0.13 M 0.06 L 0.01 I 0.01 C Shift Assignments>> C :: 173.7 CA :: 55.7 CB :: 29.6 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.41 HA :: 4.61 HB2 :: 3.08 HB3 :: 3.08 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.41 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 H 0.16 Q 0.15 R 0.14 C 0.13 K 0.12 M 0.05 I 0.02 V 0.01 C Shift Assignments>> CA :: 57.1 CB :: 29.8 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.31 HA :: 4.63 HB2 :: 3.16 HB3 :: 3.16 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.4 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H76 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H77 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 76 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 74 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 77 #Suspicious: 0 C Shift Results: #Consistent: 338 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 558 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 83 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R11 HE = 10.44(S), Expected = 7.32, Std = 0.5200, ChiSquare = 1.9732e-09