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>> F 0.25 Y 0.24 C 0.18 D 0.09 L 0.07 I 0.07 K 0.02 N 0.02 E 0.01 C Shift Assignments>> C :: 175.23 CA :: 57.34 CB :: 39.74 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 :: 4.62 HB2 :: 3.06 HB3 :: 3.06 HG2 :: 3.08 HG3 :: 3.08 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.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.16 M 0.04 C Shift Assignments>> C :: 175.93 CA :: 55.91 CB :: 33.04 CG :: 24.53 CD :: 29.17 CE :: 42.12 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 :: 8.2 HA :: 4.3 HB2 :: 1.78 HB3 :: 1.78 HG2 :: 1.39 HG3 :: 1.39 HD2 :: 1.71 HD3 :: 1.71 HE2 :: 3 HE3 :: 3 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 :: 123.67 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 G 0.12 K 0.06 C Shift Assignments>> C :: 176.12 CA :: 56 CB :: 30.8 CG :: 27.17 CD :: 43.8 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 :: 8.4 HA :: 4.34 HB2 :: 1.89 HB3 :: 1.78 HG2 :: 1.67 HG3 :: 1.67 HD2 :: 3.2 HD3 :: 3.2 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 :: 123.14 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.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.08 R 0.03 C Shift Assignments>> C :: 176.29 CA :: 54.67 CB :: 41.12 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 :: 8.5 HA :: 4.64 HB2 :: 2.75 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 :: 122.08 Ave N Shift Values>> N :: 120.73(4.2) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.61 CA :: 58.43 CB :: 63.94 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.22 HA :: 4.38 HB2 :: 3.84 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 :: 114.75 Ave N Shift Values>> N :: 116.3(3.95) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.08 K 0.07 I 0.05 Q 0.03 C Shift Assignments>> C :: 175.97 CA :: 56.25 CB :: 30.06 CG :: 36.53 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 :: 8.37 HA :: 4.3 HB2 :: 2.06 HB3 :: 2.18 HG2 :: 2.32 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 :: 121.69 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>> L 0.72 C 0.2 R 0.03 G 0.02 A 0.01 C Shift Assignments>> C :: 174.63 CA :: 53.15 CB :: 42.24 CG :: 27.05 CD1 :: 24.74 CD2 :: 24.14 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 :: 8.37 HA :: 3.37 HB2 :: 1.24 HB3 :: 0.94 HG :: 1.12 HD11 :: 0.18 HD12 :: 0.18 HD13 :: 0.18 HD21 :: -0.07 HD22 :: -0.07 HD23 :: -0.07 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 :: 124.26 Ave N Shift Values>> N :: 121.98(4.07) 1.P8 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 :: 178.36 CA :: 62.49 CB :: 32.25 CG :: 28.14 CD :: 50.28 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 :: 4.52 HB2 :: 2.62 HB3 :: 1.84 HG2 :: 2.16 HG3 :: 1.82 HD2 :: 3.53 HD3 :: 2.8 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.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.54 CA :: 66.21 CB :: 68.39 CG2 :: 22 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 :: 8.77 HA :: 3.73 HB :: 4.09 HG21 :: 1.29 HG22 :: 1.29 HG23 :: 1.29 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 :: 121.57 Ave N Shift Values>> N :: 115.7(5.05) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.31 E 0.15 K 0.01 C Shift Assignments>> C :: 180.26 CA :: 60.79 CB :: 29.08 CG :: 37.75 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 :: 10.19 HA :: 4.07 HB2 :: 1.87 HB3 :: 1.87 HG2 :: 2.44 HG3 :: 2.44 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 :: 120.25 Ave N Shift Values>> N :: 120.68(3.68) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.53 CA :: 65.32 CB :: 31.2 CG1 :: 21.37 CG2 :: 22.58 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 :: 7.41 HA :: 3.69 HB :: 2.01 HG11 :: 0.62 HG12 :: 0.62 HG13 :: 0.62 HG21 :: 0.62 HG22 :: 0.62 HG23 :: 0.62 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 :: 116.62 Ave N Shift Values>> N :: 121.02(4.96) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.44 R 0.01 C Shift Assignments>> C :: 179.12 CA :: 58.2 CB :: 40.52 CG :: 26.76 CD1 :: 25.44 CD2 :: 23.56 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 :: 7.01 HA :: 3.73 HB2 :: 1.93 HB3 :: 1.51 HG :: 1.49 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 HD21 :: 0.75 HD22 :: 0.75 HD23 :: 0.75 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 :: 119.65 Ave N Shift Values>> N :: 121.98(4.07) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.19 C 0.15 D 0.12 L 0.12 K 0.09 I 0.04 N 0.02 R 0.01 C Shift Assignments>> C :: 179.48 CA :: 57 CB :: 40.45 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 :: 8.62 HA :: 4.25 HB2 :: 2.58 HB3 :: 2.58 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 :: 117.87 Ave N Shift Values>> N :: 120.73(4.2) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.37 R 0.07 C Shift Assignments>> C :: 178.54 CA :: 57.15 CB :: 41.39 CG :: 27.04 CD1 :: 23.5 CD2 :: 25.74 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 :: 7.17 HA :: 4.13 HB2 :: 1.48 HB3 :: 1.52 HG :: 1.36 HD11 :: 0.44 HD12 :: 0.44 HD13 :: 0.44 HD21 :: 0.29 HD22 :: 0.29 HD23 :: 0.29 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 :: 120.61 Ave N Shift Values>> N :: 121.98(4.07) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.33 R 0.14 K 0.01 G 0.01 HN Overlap>> 1.Q41 1.D40 1.Q41 1.D40 2.E88 2.E88 C Shift Assignments>> C :: 178.78 CA :: 57.3 CB :: 42.07 CG :: 26.88 CD1 :: 26.89 CD2 :: 23.66 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 :: 8.07 HA :: 3.83 HB2 :: 1.86 HB3 :: 1.42 HG :: 1.77 HD11 :: 0.81 HD12 :: 0.81 HD13 :: 0.81 HD21 :: 0.86 HD22 :: 0.86 HD23 :: 0.86 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 :: 116.34 Ave N Shift Values>> N :: 121.98(4.07) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.33 CA :: 60.81 CB :: 63.87 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.57 HA :: 4.21 HB2 :: 4.09 HB3 :: 3.96 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 :: 109.96 Ave N Shift Values>> N :: 116.3(3.95) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 174.38 CA :: 60.85 CB :: 31.99 CG1 :: 21.24 CG2 :: 18.48 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 :: 7.33 HA :: 4.55 HB :: 2.48 HG11 :: 0.85 HG12 :: 0.85 HG13 :: 0.85 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 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 :: 110.66 Ave N Shift Values>> N :: 121.02(4.96) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.35 A 0.01 C Shift Assignments>> C :: 173.94 CA :: 57.98 CB :: 37.89 CG1 :: 24.23 CG2 :: 16.25 CD1 :: 13.51 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 :: 6.98 HA :: 5 HB :: 1.98 HG12 :: 1.73 HG13 :: 1.34 HG21 :: 0.87 HG22 :: 0.87 HG23 :: 0.87 HD11 :: 0.54 HD12 :: 0.54 HD13 :: 0.54 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 :: 113.89 Ave N Shift Values>> N :: 121.6(4.72) 1.P19 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>> CA :: 63.2 CB :: 32.12 CG :: 28.3 CD :: 51.57 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 :: 4.85 HB2 :: 2.12 HB3 :: 2.09 HG2 :: 2.02 HG3 :: 1.59 HD2 :: 3.93 HD3 :: 3.41 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.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.29 K 0.26 M 0.02 G 0.01 HN Overlap>> 2.M35 2.M35 C Shift Assignments>> C :: 177.13 CA :: 56.27 CB :: 35.64 CG :: 25.25 CD :: 30.02 CE :: 42.36 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 :: 7.65 HA :: 4.51 HB2 :: 2.38 HB3 :: 1.77 HG2 :: 1.36 HG3 :: 1.66 HD2 :: 1.69 HD3 :: 1.69 HE2 :: 2.85 HE3 :: 2.71 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 :: 116.69 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.1 G 0.07 C Shift Assignments>> C :: 178.39 CA :: 59.49 CB :: 30.35 CG :: 26.28 CD :: 43.28 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 :: 8.72 HA :: 4.38 HB2 :: 2.3 HB3 :: 2.22 HG2 :: 1.9 HG3 :: 1.71 HD2 :: 3.44 HD3 :: 3.49 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 :: 117.97 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.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 Q 0.43 E 0.07 HN Overlap>> 2.D99 2.D99 C Shift Assignments>> C :: 176.06 CA :: 57.68 CB :: 27.59 CG :: 33 CD :: 179.99 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 :: 8.37 HA :: 4.18 HB2 :: 1.9 HB3 :: 1.9 HG2 :: 1.76 HG3 :: 1.65 HE21 :: 7.17 HE22 :: 6.8 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 :: 116.37 NE2 :: 111.85 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 HN Overlap>> 2.D100 2.D100 C Shift Assignments>> C :: 174.17 CA :: 59.68 CB :: 37.4 CD1 :: 133.4 CD2 :: 133.4 CE1 :: 118.61 CE2 :: 118.61 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 :: 7.54 HA :: 4.17 HB2 :: 2.72 HB3 :: 2.36 HD1 :: 7.47 HD2 :: 7.47 HE1 :: 7.07 HE2 :: 7.07 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 :: 116.31 Ave N Shift Values>> N :: 120.79(4.69) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 HN Overlap>> 2.L58 2.L58 C Shift Assignments>> C :: 173.83 CA :: 57.28 CB :: 39.54 CD1 :: 132.74 CD2 :: 132.74 CE1 :: 131 CE2 :: 131 CZ :: 128.2 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 :: 7.85 HA :: 4.68 HB2 :: 3.19 HB3 :: 2.91 HD1 :: 7.19 HD2 :: 7.19 HE1 :: 6.9 HE2 :: 6.9 HZ :: 6.69 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 :: 118.82 Ave N Shift Values>> N :: 120.69(4.18) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.36 C 0.17 C Shift Assignments>> C :: 175.18 CA :: 53.33 CB :: 39.57 CG :: 177.15 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>> HA :: 4.93 HB2 :: 2.89 HB3 :: 2.89 HD21 :: 7.56 HD22 :: 6.85 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>> ND2 :: 112.5 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.08 C Shift Assignments>> C :: 173.29 CA :: 61.08 CB :: 70.31 CG2 :: 21.36 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 :: 8.01 HA :: 4.58 HB :: 4.29 HG21 :: 1.25 HG22 :: 1.25 HG23 :: 1.25 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 :: 112.53 Ave N Shift Values>> N :: 115.7(5.05) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.26 D 0.24 E 0.01 C Shift Assignments>> C :: 174.73 CA :: 53.75 CB :: 38.06 CG :: 177.72 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 :: 8.7 HA :: 4.65 HB2 :: 3.02 HB3 :: 2.9 HD21 :: 7.62 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 :: 119.91 ND2 :: 112.97 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.29 R 0.12 G 0.03 HN Overlap>> 2.F57 2.F57 C Shift Assignments>> C :: 177.84 CA :: 55.84 CB :: 42.74 CG :: 27.31 CD1 :: 25.16 CD2 :: 23.55 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 :: 8.11 HA :: 4.34 HB2 :: 1.62 HB3 :: 1.62 HG :: 1.59 HD11 :: 0.99 HD12 :: 0.99 HD13 :: 0.99 HD21 :: 0.94 HD22 :: 0.94 HD23 :: 0.94 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 :: 119.65 Ave N Shift Values>> N :: 121.98(4.07) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.6 C 0.2 R 0.1 G 0.05 A 0.02 C Shift Assignments>> C :: 175.95 CA :: 53.56 CB :: 42.83 CG :: 27.07 CD1 :: 26.14 CD2 :: 23.56 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>> HA :: 4.44 HB2 :: 1.51 HB3 :: 1.1 HG :: 1.53 HD11 :: 0.67 HD12 :: 0.67 HD13 :: 0.67 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) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.19 D 0.16 K 0.11 C 0.1 F 0.04 Y 0.03 G 0.02 N 0.02 C Shift Assignments>> C :: 175.86 CA :: 54.36 CB :: 42.79 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 :: 8.76 HA :: 4.41 HB2 :: 2.37 HB3 :: 2.73 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 :: 124.14 Ave N Shift Values>> N :: 120.73(4.2) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.22 L 0.1 C 0.08 V 0.06 T 0.04 I 0.01 C Shift Assignments>> C :: 178.77 CA :: 55.8 CB :: 20.55 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.7 HA :: 3.91 HB1 :: 1.58 HB2 :: 1.58 HB3 :: 1.58 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.57 Ave N Shift Values>> N :: 123.23(3.7) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 Q 0.31 E 0.26 C Shift Assignments>> C :: 179.26 CA :: 59.23 CB :: 28.43 CG :: 34.47 CD :: 180.49 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 :: 8.1 HA :: 3.89 HB2 :: 2.18 HB3 :: 2.15 HG2 :: 2.44 HG3 :: 2.33 HE21 :: 7.49 HE22 :: 6.83 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 :: 115.4 NE2 :: 112.37 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.34 K 0.24 G 0.02 HN Overlap>> 2.K60 2.K60 C Shift Assignments>> C :: 180.19 CA :: 59.87 CB :: 32.85 CG :: 26.45 CD :: 29.67 CE :: 42.63 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 :: 8.54 HA :: 4.08 HB2 :: 1.87 HB3 :: 1.95 HG2 :: 1.42 HG3 :: 1.69 HD2 :: 1.83 HD3 :: 1.83 HE2 :: 2.99 HE3 :: 2.99 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 :: 118.68 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.3 R 0.15 K 0.01 C Shift Assignments>> C :: 177.72 CA :: 58.22 CB :: 41.17 CG :: 27.78 CD1 :: 22.85 CD2 :: 26.52 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 :: 8.81 HA :: 4.26 HB2 :: 2.05 HB3 :: 1.37 HG :: 1.62 HD11 :: 0.96 HD12 :: 0.96 HD13 :: 0.96 HD21 :: 1.06 HD22 :: 1.06 HD23 :: 1.06 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 :: 121.85 Ave N Shift Values>> N :: 121.98(4.07) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.05 C Shift Assignments>> C :: 177.03 CA :: 67.87 CB :: 31.59 CG1 :: 21.51 CG2 :: 24.63 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 :: 8.25 HA :: 3.3 HB :: 2.16 HG11 :: 0.92 HG12 :: 0.92 HG13 :: 0.92 HG21 :: 0.99 HG22 :: 0.99 HG23 :: 0.99 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 :: 119.94 Ave N Shift Values>> N :: 121.02(4.96) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 N 0.31 D 0.13 C Shift Assignments>> C :: 176.74 CA :: 56.43 CB :: 37.98 CG :: 176.44 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 :: 7.89 HA :: 4.37 HB2 :: 2.85 HB3 :: 2.94 HD21 :: 7.67 HD22 :: 6.93 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 :: 116.7 ND2 :: 111.66 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 HN Overlap>> 2.D71 2.D71 C Shift Assignments>> C :: 177.3 CA :: 61.24 CB :: 40.61 CD1 :: 131.46 CD2 :: 131.46 CE1 :: 131.22 CE2 :: 131.22 CZ :: 129.57 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 :: 8.14 HA :: 4.24 HB2 :: 3.21 HB3 :: 3.27 HD1 :: 7.01 HD2 :: 7.01 HE1 :: 7.16 HE2 :: 7.16 HZ :: 7.11 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 :: 121.44 Ave N Shift Values>> N :: 120.69(4.18) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.32 R 0.13 G 0.02 C Shift Assignments>> C :: 177.86 CA :: 57.01 CB :: 42.36 CG :: 27.04 CD1 :: 23.91 CD2 :: 25.73 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 :: 8.91 HA :: 3.75 HB2 :: 1.76 HB3 :: 1.48 HG :: 1.61 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 HD21 :: 0.8 HD22 :: 0.8 HD23 :: 0.8 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 :: 120.15 Ave N Shift Values>> N :: 121.98(4.07) 1.N39 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 N 0.05 C Shift Assignments>> C :: 178.37 CA :: 55.38 CB :: 37.38 CG :: 173.24(A) 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 :: 8.51 HA :: 4.32 HB2 :: 2.7 HB3 :: 2.92 HD21 :: 7.55 HD22 :: 5.52 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 :: 115.26 ND2 :: 106.66 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.23 K 0.11 D 0.11 C 0.1 F 0.05 Y 0.04 G 0.02 N 0.01 HN Overlap>> 1.L15 1.L15 C Shift Assignments>> C :: 177.57 CA :: 55.32 CB :: 42.96 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 :: 8.04 HA :: 4.92 HB2 :: 2.66 HB3 :: 2.74 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 :: 116.29 Ave N Shift Values>> N :: 120.73(4.2) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.36 E 0.25 HN Overlap>> 1.L15 2.E88 1.L15 2.E88 C Shift Assignments>> C :: 175.4 CA :: 55.88 CB :: 30.45 CG :: 34.45 CD :: 180.06 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 :: 8.12 HA :: 4.45 HB2 :: 1.59 HB3 :: 1.95 HG2 :: 2.28 HG3 :: 2.28 HE21 :: 7.56 HE22 :: 6.83 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 :: 116.4 NE2 :: 112.27 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 174.56 CA :: 60.98 CB :: 33.76 CG1 :: 22.26 CG2 :: 22.09 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 :: 6.67 HA :: 4.05 HB :: 1.82 HG11 :: 0.54 HG12 :: 0.54 HG13 :: 0.54 HG21 :: 0.48 HG22 :: 0.48 HG23 :: 0.48 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 :: 115.63 Ave N Shift Values>> N :: 121.02(4.96) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.26 M 0.23 Q 0.07 K 0.05 C Shift Assignments>> C :: 174.97 CA :: 53.89 CB :: 30.95 CG :: 35.76 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 :: 8.34 HA :: 4.67 HB2 :: 1.76 HB3 :: 1.88 HG2 :: 2.01 HG3 :: 2.14 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 :: 126.94 Ave N Shift Values>> N :: 120.68(3.68) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.33 A 0.1 C Shift Assignments>> C :: 174.6 CA :: 56.88 CB :: 37.2 CG1 :: 27.14 CG2 :: 17.91 CD1 :: 11.89 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 :: 9.14 HA :: 4.36 HB :: 1.98 HG12 :: 1.33 HG13 :: 1.19 HG21 :: 1.05 HG22 :: 1.05 HG23 :: 1.05 HD11 :: 0.64 HD12 :: 0.64 HD13 :: 0.64 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 :: 126.71 Ave N Shift Values>> N :: 121.6(4.72) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.51 CA :: 62.96 CB :: 32.22 CG :: 26.91 CD :: 51.17 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 :: 4.54 HB2 :: 2.34 HB3 :: 1.96 HG2 :: 2.06 HG3 :: 2.06 HD2 :: 3.54 HD3 :: 4.04 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.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.17 CA :: 61.2 CB :: 70.09 CG2 :: 21.53 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 :: 8.05 HA :: 4.37 HB :: 4.25 HG21 :: 1.23 HG22 :: 1.23 HG23 :: 1.23 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 :: 112.39 Ave N Shift Values>> N :: 115.7(5.05) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.24 CA :: 62.37 CB :: 32.71 CG1 :: 21.35 CG2 :: 20.86 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 :: 8.34 HA :: 4.13 HB :: 2.12 HG11 :: 0.96 HG12 :: 0.96 HG13 :: 0.96 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 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 :: 121.96 Ave N Shift Values>> N :: 121.02(4.96) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 K 0.09 M 0.07 I 0.06 Q 0.04 C Shift Assignments>> C :: 176.69 CA :: 56.72 CB :: 29.92 CG :: 36.35 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 :: 8.59 HA :: 4.32 HB2 :: 2.09 HB3 :: 1.98 HG2 :: 2.29 HG3 :: 2.29 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 :: 124.31 Ave N Shift Values>> N :: 120.68(3.68) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.N16 2.N16 C Shift Assignments>> C :: 174.97 CA :: 58.58 CB :: 63.86 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.37 HA :: 4.5 HB2 :: 3.93 HB3 :: 3.93 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 :: 117.25 Ave N Shift Values>> N :: 116.3(3.95) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.58 CA :: 62.01 CB :: 69.62 CG2 :: 21.6 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 :: 8.18 HA :: 4.38 HB :: 4.27 HG21 :: 1.23 HG22 :: 1.23 HG23 :: 1.23 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 :: 116.1 Ave N Shift Values>> N :: 115.7(5.05) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.17 M 0.03 C Shift Assignments>> C :: 176.47 CA :: 56.21 CB :: 32.91 CG :: 24.61 CD :: 28.96 CE :: 41.99 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 :: 8.27 HA :: 4.43 HB2 :: 1.88 HB3 :: 1.88 HG2 :: 1.47 HG3 :: 1.47 HD2 :: 1.73 HD3 :: 1.73 HE2 :: 3.01 HE3 :: 3.01 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 :: 123.91 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.02 CA :: 58.16 CB :: 64.06 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.36 HA :: 4.5 HB2 :: 3.89 HB3 :: 3.89 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 :: 117.91 Ave N Shift Values>> N :: 116.3(3.95) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 179.02 CA :: 46.12 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.01 HA2 :: 3.79 HA3 :: 3.79 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.26 Ave N Shift Values>> N :: 109.91(4.29) 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.5 W 0.49 C Shift Assignments>> CB :: 30.74 CD2 :: 119.44 CE1 :: 137.6 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>> HA :: 4.68 HB2 :: 3.12 HB3 :: 3.12 HD2 :: 7.07 HE1 :: 7.96 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) 2.M3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.09 CA :: 58.26 CB :: 63.83 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.41 HB2 :: 3.84 HB3 :: 3.84 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) 2.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.3 C 0.17 C Shift Assignments>> C :: 175.18 CA :: 53.09 CB :: 39.08 CG :: 177 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 :: 8.45 HA :: 4.79 HB2 :: 2.76 HB3 :: 2.83 HD21 :: 7.62 HD22 :: 6.94 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 :: 120.6 ND2 :: 112.67 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.97 CA :: 44.5 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.18 HA2 :: 4.13 HA3 :: 4.13 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.07 Ave N Shift Values>> N :: 109.91(4.29) 2.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 176.8 CA :: 63.4 CB :: 31.99 CG :: 27.16 CD :: 49.79 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 :: 4.38 HB2 :: 1.79 HB3 :: 2.2 HG2 :: 1.98 HG3 :: 1.98 HD2 :: 3.62 HD3 :: 3.62 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) 2.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.16 N 0.14 C 0.11 F 0.09 K 0.08 Y 0.07 R 0.01 C Shift Assignments>> C :: 176.35 CA :: 54.15 CB :: 40.76 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 :: 8.37 HA :: 4.56 HB2 :: 2.57 HB3 :: 2.66 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 :: 119.64 Ave N Shift Values>> N :: 120.73(4.2) 2.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 Y 0.36 C 0.26 HN Overlap>> 2.F17 2.F17 C Shift Assignments>> C :: 176.03 CA :: 58.17 CB :: 39.34 CD1 :: 131.71 CD2 :: 131.71 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 :: 8.07 HA :: 4.55 HB2 :: 3.15 HB3 :: 3.05 HD1 :: 7.25 HD2 :: 7.25 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 :: 120.51 Ave N Shift Values>> N :: 120.69(4.18) 2.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 C 0.39 E 0.18 C Shift Assignments>> C :: 175.73 CA :: 56.05 CB :: 28.99 CG :: 33.79 CD :: 180.27 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 :: 8.24 HA :: 4.25 HB2 :: 2.07 HB3 :: 2.07 HG2 :: 2.28 HG3 :: 2.28 HE21 :: 7.5 HE22 :: 6.83 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 :: 120.83 NE2 :: 112.36 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.29 C 0.19 C Shift Assignments>> C :: 175.41 CA :: 53.29 CB :: 38.85 CG :: 177.15 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 :: 8.29 HA :: 4.72 HB2 :: 2.76 HB3 :: 2.88 HD21 :: 7.69 HD22 :: 6.93 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 :: 119.46 ND2 :: 113.16 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.S106 2.S106 C Shift Assignments>> C :: 175.24 CA :: 58.84 CB :: 63.83 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.28 HA :: 4.42 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 :: 116.3 Ave N Shift Values>> N :: 116.3(3.95) 2.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.28 CA :: 45.43 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.47 HA2 :: 3.98 HA3 :: 3.98 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.62 Ave N Shift Values>> N :: 109.91(4.29) 2.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.27 C 0.19 C Shift Assignments>> C :: 175.51 CA :: 53.3 CB :: 38.85 CG :: 176.93 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 :: 8.25 HA :: 4.73 HB2 :: 2.83 HB3 :: 2.83 HD21 :: 7.62 HD22 :: 6.94 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 :: 119.06 ND2 :: 112.57 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.29 C 0.02 C Shift Assignments>> C :: 178.01 CA :: 53.39 CB :: 18.78 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 :: 4.24 HB1 :: 1.4 HB2 :: 1.4 HB3 :: 1.4 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.16 Ave N Shift Values>> N :: 123.23(3.7) 2.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 C 0.24 D 0.24 HN Overlap>> 1.S49 1.S49 C Shift Assignments>> C :: 175.83 CA :: 53.99 CB :: 38.52 CG :: 176.83 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 :: 8.32 HA :: 4.62 HB2 :: 2.79 HB3 :: 2.79 HD21 :: 7.58 HD22 :: 6.89 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 :: 117.21 ND2 :: 112.76 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 HN Overlap>> 2.F9 2.F9 C Shift Assignments>> C :: 176.32 CA :: 59.15 CB :: 39.24 CD1 :: 131.82 CD2 :: 131.82 CE1 :: 131.21 CE2 :: 131.21 CZ :: 129.91 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 :: 8.06 HA :: 4.49 HB2 :: 3.17 HB3 :: 3.17 HD1 :: 7.25 HD2 :: 7.25 HE1 :: 7.36 HE2 :: 7.36 HZ :: 7.34 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 :: 120.53 Ave N Shift Values>> N :: 120.69(4.18) 2.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.32 R 0.07 G 0.01 C Shift Assignments>> C :: 178 CA :: 56.64 CB :: 42.08 CG :: 26.89 CD1 :: 25.08 CD2 :: 23.75 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 :: 8.16 HA :: 4.16 HB2 :: 1.79 HB3 :: 1.64 HG :: 1.71 HD11 :: 0.98 HD12 :: 0.98 HD13 :: 0.98 HD21 :: 0.96 HD22 :: 0.96 HD23 :: 0.96 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 :: 121.14 Ave N Shift Values>> N :: 121.98(4.07) 2.S19 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 :: 59.75 CB :: 63.37 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.1 HA :: 4.28 HB2 :: 3.96 HB3 :: 3.96 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 :: 113.97 Ave N Shift Values>> N :: 116.3(3.95) 2.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 C 0.39 E 0.21 HN Overlap>> 2.A73 2.K56 2.A73 2.K56 C Shift Assignments>> C :: 176.56 CA :: 56.71 CB :: 28.76 CG :: 34.06 CD :: 180.28 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 :: 7.92 HA :: 4.16 HB2 :: 2.05 HB3 :: 2.05 HG2 :: 2.37 HG3 :: 2.37 HE21 :: 7.41 HE22 :: 6.81 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 :: 120.02 NE2 :: 111.83 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.4 R 0.15 M 0.02 HN Overlap>> 2.L78 2.L78 C Shift Assignments>> C :: 175.82 CA :: 57.13 CB :: 33.04 CG :: 24.79 CD :: 28.82 CE :: 41.75 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 :: 7.76 HA :: 3.96 HB2 :: 1.42 HB3 :: 1.24 HG2 :: 1.08 HG3 :: 0.92 HD2 :: 1.5 HD3 :: 1.5 HE2 :: 2.86 HE3 :: 2.86 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 :: 119.25 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 173.27 CA :: 54.98 CB :: 39.71 CD1 :: 132.82 CD2 :: 132.82 CE1 :: 130.47 CE2 :: 130.47 CZ :: 129.53 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 :: 7.68 HA :: 5.03 HB2 :: 3 HB3 :: 2.85 HD1 :: 7.21 HD2 :: 7.21 HE1 :: 7.32 HE2 :: 7.32 HZ :: 7.56 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 :: 115.9 Ave N Shift Values>> N :: 120.69(4.18) 2.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 177.03 CA :: 64.13 CB :: 31.62 CG :: 27.38 CD :: 50.18 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 :: 4.45 HB2 :: 2.29 HB3 :: 1.96 HG2 :: 1.92 HG3 :: 1.92 HD2 :: 3.59 HD3 :: 3.42 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) 2.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 K 0.11 I 0.07 Q 0.04 M 0.02 C Shift Assignments>> C :: 176.15 CA :: 56.22 CB :: 28.79 CG :: 36.48 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 :: 9.32 HA :: 4.27 HB2 :: 2.01 HB3 :: 2.08 HG2 :: 2.28 HG3 :: 2.28 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 :: 119 Ave N Shift Values>> N :: 120.68(3.68) 2.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.22 A 0.04 R 0.02 C Shift Assignments>> C :: 175.33 CA :: 53.17 CB :: 41.52 CG :: 26.25 CD1 :: 26.12 CD2 :: 23.49 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 :: 7.59 HA :: 4.27 HB2 :: 1.69 HB3 :: 1.4 HG :: 1.84 HD11 :: 0.74 HD12 :: 0.74 HD13 :: 0.74 HD21 :: 0.61 HD22 :: 0.61 HD23 :: 0.61 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 :: 122.64 Ave N Shift Values>> N :: 121.98(4.07) 2.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.51 CA :: 62.18 CB :: 32.37 CG :: 27.05 CD :: 50.55 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 :: 4.6 HB2 :: 1.76 HB3 :: 2.35 HG2 :: 1.99 HG3 :: 2.14 HD2 :: 3.92 HD3 :: 3.39 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) 2.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.82 CA :: 60.33 CB :: 64.13 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.66 HA :: 4.26 HB2 :: 3.96 HB3 :: 3.96 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 :: 115.46 Ave N Shift Values>> N :: 116.3(3.95) 2.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.76 CA :: 44.63 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.02 HA2 :: 4.04 HA3 :: 3.97 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.43 Ave N Shift Values>> N :: 109.91(4.29) 2.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> CA :: 60.08 CB :: 40.79 CG1 :: 25.92 CG2 :: 18.22 CD1 :: 14.24 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 :: 7.54 HA :: 4.5 HB :: 1.98 HG12 :: 0.94 HG13 :: 0.4 HG21 :: 0.84 HG22 :: 0.84 HG23 :: 0.84 HD11 :: 0.69 HD12 :: 0.69 HD13 :: 0.69 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 :: 111.28 Ave N Shift Values>> N :: 121.6(4.72) 2.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.19 D 0.16 K 0.1 C 0.1 F 0.04 Y 0.03 G 0.02 N 0.02 C Shift Assignments>> C :: 174.62 CA :: 54.21 CB :: 42.83 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 :: 8.28 HA :: 5.06 HB2 :: 2.71 HB3 :: 2.44 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 :: 119.76 Ave N Shift Values>> N :: 120.73(4.2) 2.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 174.28 CA :: 59.84 CB :: 34.67 CG1 :: 21.39 CG2 :: 21.27 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 :: 6.96 HA :: 3.93 HB :: 1.17 HG11 :: 0.35 HG12 :: 0.35 HG13 :: 0.35 HG21 :: 0.18 HG22 :: 0.18 HG23 :: 0.18 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 :: 114.84 Ave N Shift Values>> N :: 121.02(4.96) 2.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 C 0.26 D 0.05 C Shift Assignments>> C :: 176.2 CA :: 51.43 CB :: 36.76 CG :: 177.22 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 :: 8.6 HA :: 4.86 HB2 :: 2.71 HB3 :: 3.06 HD21 :: 7.64 HD22 :: 7.11 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 :: 123.58 ND2 :: 111.59 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 176.45 CA :: 62.06 CB :: 37.71 CG1 :: 26.6 CG2 :: 18.69 CD1 :: 13.68 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 :: 8.04 HA :: 4.6 HB :: 2.18 HG12 :: 1.43 HG13 :: 1.43 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 HD11 :: 0.94 HD12 :: 0.94 HD13 :: 0.94 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 :: 121.9 Ave N Shift Values>> N :: 121.6(4.72) 2.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.28 D 0.23 HN Overlap>> 2.A39 2.A39 C Shift Assignments>> C :: 175.57 CA :: 54.56 CB :: 38.45 CG :: 176.83 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 :: 8.14 HA :: 4.66 HB2 :: 2.82 HB3 :: 2.82 HD21 :: 7.62 HD22 :: 6.98 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 :: 117.38 ND2 :: 113.68 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.M35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 M 0.32 E 0.18 Q 0.12 K 0.02 HN Overlap>> 1.K20 1.K20 C Shift Assignments>> C :: 175.33 CA :: 55.68 CB :: 34.81 CG :: 32.05 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 :: 7.72 HA :: 4.62 HB2 :: 1.94 HB3 :: 2.09 HG2 :: 2.39 HG3 :: 2.54 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 :: 116.68 Ave N Shift Values>> N :: 120.1(3.88) 2.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.13 C Shift Assignments>> C :: 172.1 CA :: 59.73 CB :: 69.45 CG2 :: 19.76 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 :: 7.98 HA :: 4.63 HB :: 4 HG21 :: 1.02 HG22 :: 1.02 HG23 :: 1.02 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 :: 115.05 Ave N Shift Values>> N :: 115.7(5.05) 2.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.26 A 0.02 C Shift Assignments>> C :: 174.05 CA :: 58.02 CB :: 69.28 CG2 :: 21.75 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 HA :: 4.94 HB :: 4.59 HG21 :: 1.28 HG22 :: 1.28 HG23 :: 1.28 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 :: 110.54 Ave N Shift Values>> N :: 115.7(5.05) 2.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.77 CA :: 65.76 CB :: 31.96 CG :: 28.35 CD :: 50.3 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 :: 3.89 HB2 :: 1.56 HB3 :: 1.62 HG2 :: 2.21 HG3 :: 1.45 HD2 :: 3.98 HD3 :: 3.7 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) 2.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.37 C 0.03 I 0.03 V 0.01 HN Overlap>> 2.N34 2.N34 C Shift Assignments>> C :: 180.29 CA :: 55.19 CB :: 18.52 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.09 HA :: 3.95 HB1 :: 1.43 HB2 :: 1.43 HB3 :: 1.43 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.4 Ave N Shift Values>> N :: 123.23(3.7) 2.M40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.29 Q 0.16 K 0.07 E 0.06 R 0.01 C Shift Assignments>> C :: 179.71 CA :: 58.12 CB :: 31.75 CG :: 32.84 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 :: 7.88 HA :: 4.26 HB2 :: 2.21 HB3 :: 2.13 HG2 :: 2.64 HG3 :: 2.58 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 :: 118.36 Ave N Shift Values>> N :: 120.1(3.88) 2.M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 M 0.23 Q 0.18 K 0.15 E 0.05 R 0.03 HN Overlap>> 2.E77 2.E77 C Shift Assignments>> C :: 179.63 CA :: 58.1 CB :: 30.96 CG :: 32.67 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 :: 7.92 HA :: 4.33 HB2 :: 2.11 HB3 :: 2.17 HG2 :: 2.5 HG3 :: 2.62 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 :: 119.46 Ave N Shift Values>> N :: 120.1(3.88) 2.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 177.34 CA :: 66.23 CB :: 37.1 CG1 :: 30.07 CG2 :: 17.96 CD1 :: 14.39 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 :: 7.87 HA :: 3.62 HB :: 2.21 HG12 :: 1.95 HG13 :: 0.96 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 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 :: 119.77 Ave N Shift Values>> N :: 121.6(4.72) 2.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.32 CA :: 62.59 CB :: 62.78 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.27 HA :: 4.12 HB2 :: 3.97 HB3 :: 3.97 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 :: 115.49 Ave N Shift Values>> N :: 116.3(3.95) 2.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.48 CA :: 61.35 CB :: 62.79 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.4 HA :: 4.21 HB2 :: 3.98 HB3 :: 3.98 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 :: 116.01 Ave N Shift Values>> N :: 116.3(3.95) 2.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.16 K 0.09 Q 0.03 M 0.01 C Shift Assignments>> C :: 180.02 CA :: 58.41 CB :: 28.88 CG :: 36.35 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 :: 7.76 HA :: 4.09 HB2 :: 2.01 HB3 :: 2.01 HG2 :: 2.35 HG3 :: 2.35 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 :: 121.59 Ave N Shift Values>> N :: 120.68(3.68) 2.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.46 A 0.01 C Shift Assignments>> C :: 178.9 CA :: 57.55 CB :: 40.34 CG :: 26.25 CD1 :: 25.42 CD2 :: 21.99 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 :: 8.44 HA :: 3.87 HB2 :: 1.93 HB3 :: 1.34 HG :: 1.96 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 HD21 :: 0.62 HD22 :: 0.62 HD23 :: 0.62 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 :: 118.59 Ave N Shift Values>> N :: 121.98(4.07) 2.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.37 C 0.02 I 0.01 C Shift Assignments>> C :: 178.81 CA :: 53.62 CB :: 17.99 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.68 HA :: 4.14 HB1 :: 1.49 HB2 :: 1.49 HB3 :: 1.49 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.35 Ave N Shift Values>> N :: 123.23(3.7) 2.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.36 R 0.23 M 0.03 C Shift Assignments>> C :: 177.23 CA :: 56.94 CB :: 33.25 CG :: 25.36 CD :: 29.89 CE :: 42 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 :: 4.18 HB2 :: 2.05 HB3 :: 1.86 HG2 :: 1.73 HG3 :: 1.44 HD2 :: 1.72 HD3 :: 1.72 HE2 :: 2.88 HE3 :: 2.88 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 :: 114.83 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.31 R 0.12 M 0.02 A 0.01 HN Overlap>> 2.A73 2.K56 2.A73 2.K56 C Shift Assignments>> C :: 173.79 CA :: 52.27 CB :: 32.6 CG :: 24.33 CD :: 28.59 CE :: 41.63 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 :: 7.79 HA :: 4.82 HB2 :: 2.07 HB3 :: 1.56 HG2 :: 1.64 HG3 :: 1.43 HD2 :: 1.61 HD3 :: 1.48 HE2 :: 2.78 HE3 :: 2.78 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 :: 120.15 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 177.48 CA :: 62.19 CB :: 33.05 CG :: 27.67 CD :: 50.95 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 :: 4.53 HB2 :: 2.01 HB3 :: 2.61 HG2 :: 2.19 HG3 :: 2.12 HD2 :: 4.16 HD3 :: 3.61 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) 2.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.19 M 0.01 G 0.01 C Shift Assignments>> C :: 178.11 CA :: 60.39 CB :: 31.92 CG :: 24.55 CD :: 28.87 CE :: 42 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 :: 9.04 HA :: 3.81 HB2 :: 2 HB3 :: 1.81 HG2 :: 1.65 HG3 :: 1.42 HD2 :: 1.77 HD3 :: 1.77 HE2 :: 3.07 HE3 :: 3.07 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 :: 125.24 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.33 E 0.24 K 0.05 Q 0.01 C Shift Assignments>> C :: 178.95 CA :: 60.24 CB :: 28.62 CG :: 36.47 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 :: 9.54 HA :: 4 HB2 :: 2.07 HB3 :: 2.11 HG2 :: 2.37 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 :: 115.74 Ave N Shift Values>> N :: 120.68(3.68) 2.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 178.78 CA :: 65.48 CB :: 31.94 CG1 :: 21.25 CG2 :: 22.84 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 :: 7.13 HA :: 3.78 HB :: 2.23 HG11 :: 1.07 HG12 :: 1.07 HG13 :: 1.07 HG21 :: 1.16 HG22 :: 1.16 HG23 :: 1.16 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 :: 119.86 Ave N Shift Values>> N :: 121.02(4.96) 2.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 Q 0.12 E 0.01 C Shift Assignments>> C :: 178.31 CA :: 59.98 CB :: 27.97 CG :: 33.53 CD :: 177.11 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 :: 7.97 HA :: 3.78 HB2 :: 1.8 HB3 :: 2.03 HG2 :: 2.51 HG3 :: 2.64 HE21 :: 7.06 HE22 :: 6.78 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 :: 121.22 NE2 :: 110.27 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.41 R 0.04 C Shift Assignments>> C :: 179.14 CA :: 57.75 CB :: 40.96 CG :: 27.05 CD1 :: 25.62 CD2 :: 22.68 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 :: 8.59 HA :: 4.04 HB2 :: 1.85 HB3 :: 1.46 HG :: 1.86 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 HD21 :: 0.84 HD22 :: 0.84 HD23 :: 0.84 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 :: 116.83 Ave N Shift Values>> N :: 121.98(4.07) 2.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.21 M 0.01 HN Overlap>> 2.A73 2.A73 2.K49 2.Q20 2.K49 2.Q20 C Shift Assignments>> C :: 178.54 CA :: 59.08 CB :: 31.66 CG :: 25.26 CD :: 28.87 CE :: 41.8 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 :: 7.84 HA :: 4.16 HB2 :: 2.04 HB3 :: 1.98 HG2 :: 1.65 HG3 :: 1.59 HD2 :: 1.8 HD3 :: 1.8 HE2 :: 3.01 HE3 :: 3.01 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 :: 120.09 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 HN Overlap>> 1.L28 1.L28 C Shift Assignments>> C :: 176.62 CA :: 61.89 CB :: 37.6 CD1 :: 132.06 CD2 :: 132.06 CE1 :: 130.17 CE2 :: 130.17 CZ :: 128.8 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 :: 8.1 HA :: 3.89 HB2 :: 3.19 HB3 :: 3.39 HD1 :: 6.98 HD2 :: 6.98 HE1 :: 6.86 HE2 :: 6.86 HZ :: 6.5 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 :: 119.6 Ave N Shift Values>> N :: 120.69(4.18) 2.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.31 R 0.12 G 0.06 HN Overlap>> 1.F24 1.F24 C Shift Assignments>> C :: 178.06 CA :: 57.84 CB :: 43.03 CG :: 26.77 CD1 :: 25.8 CD2 :: 22.85 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 :: 7.83 HA :: 3.85 HB2 :: 2.21 HB3 :: 1.39 HG :: 2.11 HD11 :: 0.92 HD12 :: 0.92 HD13 :: 0.92 HD21 :: 1.11 HD22 :: 1.11 HD23 :: 1.11 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 :: 118.79 Ave N Shift Values>> N :: 121.98(4.07) 2.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 Q 0.41 E 0.12 C Shift Assignments>> C :: 179.42 CA :: 59.56 CB :: 28.61 CG :: 33.67 CD :: 179.56 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 :: 8.71 HA :: 3.85 HB2 :: 2.22 HB3 :: 2.27 HG2 :: 2.58 HG3 :: 2.32 HE21 :: 7.36 HE22 :: 6.76 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 :: 118.66 NE2 :: 110.93 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.33 R 0.28 M 0.01 HN Overlap>> 1.K33 1.K33 C Shift Assignments>> C :: 179.79 CA :: 57.67 CB :: 31.49 CG :: 24.77 CD :: 28.2 CE :: 41.96 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 :: 8.52 HA :: 4.16 HB2 :: 1.93 HB3 :: 1.7 HG2 :: 1.65 HG3 :: 1.58 HD2 :: 1.76 HD3 :: 1.76 HE2 :: 3.01 HE3 :: 3.01 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 :: 118.72 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 176.47 CA :: 59.6 CB :: 38.79 CD1 :: 130.8 CD2 :: 130.8 CE1 :: 130.77 CE2 :: 130.77 CZ :: 128.3 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 :: 8.99 HA :: 4.57 HB2 :: 2.52 HB3 :: 2.7 HD1 :: 7.03 HD2 :: 7.03 HE1 :: 7.2 HE2 :: 7.2 HZ :: 7 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) 2.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.4 E 0.18 C Shift Assignments>> C :: 177.23 CA :: 57.27 CB :: 29.35 CG :: 34.08 CD :: 179.4 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 :: 8.62 HA :: 4.52 HB2 :: 2.2 HB3 :: 1.81 HG2 :: 2.13 HG3 :: 1.96 HE21 :: 6.42 HE22 :: 8.48 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 :: 118.28 NE2 :: 113.68 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.24 K 0.04 M 0.02 Q 0.01 C Shift Assignments>> C :: 179.03 CA :: 59.58 CB :: 29.74 CG :: 36.74 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 :: 7.98 HA :: 3.98 HB2 :: 2.25 HB3 :: 2.3 HG2 :: 2.49 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 :: 119 Ave N Shift Values>> N :: 120.68(3.68) 2.W64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.74 C 0.25 C Shift Assignments>> C :: 178.62 CA :: 63.04 CB :: 28.49 CD1 :: 126.74 CE3 :: 120.17 CZ2 :: 114.31 CZ3 :: 120.95 CH2 :: 123.28 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.8 HA :: 4.44 HB2 :: 3.41 HB3 :: 3.73 HD1 :: 7.4 HE1 :: 9.81 HE3 :: 7.42 HZ2 :: 7.53 HZ3 :: 6.8 HH2 :: 6.93 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.67 NE1 :: 130.02 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 2.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 178.7 CA :: 66.71 CB :: 67.23 CG2 :: 21.42 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 :: 9.68 HA :: 3.21 HB :: 3.82 HG21 :: 0.61 HG22 :: 0.61 HG23 :: 0.61 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) 2.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.27 G 0.26 K 0.03 HN Overlap>> 2.D71 2.D71 C Shift Assignments>> C :: 178.66 CA :: 58.93 CB :: 30.44 CG :: 29.34 CD :: 44.3 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 :: 8.23 HA :: 3.78 HB2 :: 1.61 HB3 :: 1.76 HG2 :: 1.36 HG3 :: 1.98 HD2 :: 2.97 HD3 :: 2.97 HE :: 7.21 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 :: 121.63 NE :: 84.24 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 177.58 CA :: 52.59 CB :: 19.26 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.93 HA :: 4.05 HB1 :: 1.1 HB2 :: 1.1 HB3 :: 1.1 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.75 Ave N Shift Values>> N :: 123.23(3.7) 2.H68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.47 C 0.26 W 0.26 C Shift Assignments>> C :: 171.19 CA :: 52.25 CB :: 27.46 CD2 :: 121.38 CE1 :: 135.65 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 :: 7.44 HA :: 4.85 HB2 :: 2.86 HB3 :: 1.82 HD2 :: 6.65 HE1 :: 8.58 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 :: 114.97 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 2.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.12 G 0.01 C Shift Assignments>> C :: 180.15 CA :: 66.12 CB :: 31.14 CG :: 27.79 CD :: 49.26 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 :: 4.29 HB2 :: 1.93 HB3 :: 1.93 HG2 :: 1.96 HG3 :: 2.01 HD2 :: 3.4 HD3 :: 3.28 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) 2.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.35 E 0.22 K 0.04 C Shift Assignments>> C :: 179.75 CA :: 59.82 CB :: 28.13 CG :: 36.79 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 :: 8.26 HA :: 4.19 HB2 :: 2.09 HB3 :: 1.96 HG2 :: 2.42 HG3 :: 2.3 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 :: 118.71 Ave N Shift Values>> N :: 120.68(3.68) 2.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.19 C 0.15 L 0.12 D 0.12 K 0.1 I 0.04 N 0.02 R 0.01 HN Overlap>> 1.F37 1.F37 2.R66 2.R66 C Shift Assignments>> C :: 178.42 CA :: 56.97 CB :: 40.5 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 :: 8.2 HA :: 4.55 HB2 :: 2.63 HB3 :: 2.95 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 :: 121.53 Ave N Shift Values>> N :: 120.73(4.2) 2.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.32 C 0.07 L 0.06 V 0.03 T 0.02 I 0.01 C Shift Assignments>> C :: 178.49 CA :: 55.32 CB :: 20.18 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.68 HA :: 4.4 HB1 :: 1.39 HB2 :: 1.39 HB3 :: 1.39 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.07 Ave N Shift Values>> N :: 123.23(3.7) 2.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.23 I 0.05 C 0.02 HN Overlap>> 2.K56 2.K49 2.Q20 2.K56 2.K49 2.Q20 C Shift Assignments>> C :: 179.83 CA :: 55.38 CB :: 17.03 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.81 HA :: 3.94 HB1 :: 1.5 HB2 :: 1.5 HB3 :: 1.5 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.04 Ave N Shift Values>> N :: 123.23(3.7) 2.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.16 CA :: 62 CB :: 63.06 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.84 HA :: 4.36 HB2 :: 4.07 HB3 :: 4.07 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 :: 113.73 Ave N Shift Values>> N :: 116.3(3.95) 2.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.2 R 0.17 K 0.03 C Shift Assignments>> C :: 178.1 CA :: 57.91 CB :: 41.13 CG :: 27.28 CD1 :: 22.91 CD2 :: 27.74 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 :: 8.79 HA :: 3.8 HB2 :: 2.23 HB3 :: 1.5 HG :: 1.3 HD11 :: 0.25 HD12 :: 0.25 HD13 :: 0.25 HD21 :: 0.69 HD22 :: 0.69 HD23 :: 0.69 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 :: 123.31 Ave N Shift Values>> N :: 121.98(4.07) 2.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.44 R 0.03 A 0.01 C Shift Assignments>> C :: 178.88 CA :: 57.1 CB :: 40.57 CG :: 27.52 CD1 :: 25.87 CD2 :: 22.46 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 :: 8.19 HA :: 3.99 HB2 :: 1.89 HB3 :: 1.55 HG :: 2.01 HD11 :: 1 HD12 :: 1 HD13 :: 1 HD21 :: 0.92 HD22 :: 0.92 HD23 :: 0.92 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 :: 117.69 Ave N Shift Values>> N :: 121.98(4.07) 2.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.16 K 0.08 Q 0.03 M 0.02 HN Overlap>> 2.M41 2.M41 C Shift Assignments>> C :: 178.59 CA :: 58.74 CB :: 29.35 CG :: 36.34 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 :: 7.85 HA :: 4.13 HB2 :: 2.13 HB3 :: 2.27 HG2 :: 2.41 HG3 :: 2.41 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 :: 119.52 Ave N Shift Values>> N :: 120.68(3.68) 2.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.3 R 0.09 G 0.07 HN Overlap>> 2.K21 2.K21 C Shift Assignments>> C :: 177.44 CA :: 56.87 CB :: 43.23 CG :: 26.91 CD1 :: 24.19 CD2 :: 25.11 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 :: 7.77 HA :: 4.26 HB2 :: 1.92 HB3 :: 1.85 HG :: 1.93 HD11 :: 1.03 HD12 :: 1.03 HD13 :: 1.03 HD21 :: 0.98 HD22 :: 0.98 HD23 :: 0.98 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 :: 119.25 Ave N Shift Values>> N :: 121.98(4.07) 2.C79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 Q 0.14 L 0.14 K 0.13 H 0.11 C 0.11 W 0.08 E 0.06 I 0.01 M 0.01 C Shift Assignments>> C :: 172.94 CA :: 55.62 CB :: 27.8 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.35 HA :: 5 HB2 :: 2.87 HB3 :: 2.46 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 :: 115.32 Ave N Shift Values>> N :: 119.95(4.79) 2.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.62 P 0.37 C Shift Assignments>> C :: 178.78 CA :: 64.37 CB :: 31.42 CG :: 30.44 CD :: 50.66 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 :: 4.57 HB2 :: 2.62 HB3 :: 1.96 HG2 :: 2.22 HG3 :: 2.3 HD2 :: 3.98 HD3 :: 3.46 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) 2.Q81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 Q 0.29 E 0.05 C Shift Assignments>> C :: 177.45 CA :: 57.84 CB :: 30.47 CG :: 31.89 CD :: 180.32 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 :: 10.72(S) HA :: 3.22 HB2 :: 1.9 HB3 :: 1.76 HG2 :: 2.85 HG3 :: 1.98 HE21 :: 7.89 HE22 :: 6.59 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 :: 121.4 NE2 :: 109.74 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.31 R 0.09 G 0.02 A 0.01 C Shift Assignments>> C :: 179.69 CA :: 56.17 CB :: 42.32 CG :: 26.98 CD1 :: 23.11 CD2 :: 25.11 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 :: 8.16 HA :: 4.06 HB2 :: 1.5 HB3 :: 1.88 HG :: 1.45 HD11 :: 0.65 HD12 :: 0.65 HD13 :: 0.65 HD21 :: 0.63 HD22 :: 0.63 HD23 :: 0.63 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 :: 122.49 Ave N Shift Values>> N :: 121.98(4.07) 2.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.4 CA :: 61.65 CB :: 62.06 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.64 HA :: 4.01 HB2 :: 3.76 HB3 :: 4.07 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 :: 121.13 Ave N Shift Values>> N :: 116.3(3.95) 2.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 178.55 CA :: 61.68 CB :: 38.55 CD1 :: 131.47 CD2 :: 131.47 CE1 :: 131.58 CE2 :: 131.58 CZ :: 130.77 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 :: 7.49 HA :: 4.11 HB2 :: 3.05 HB3 :: 2.82 HD1 :: 7.13 HD2 :: 7.13 HE1 :: 7.43 HE2 :: 7.43 HZ :: 7.53 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 :: 119.65 Ave N Shift Values>> N :: 120.69(4.18) 2.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 176.14 CA :: 66.24 CB :: 31.77 CG1 :: 21.62 CG2 :: 24.31 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 :: 8.03 HA :: 3.5 HB :: 2.1 HG11 :: 0.7 HG12 :: 0.7 HG13 :: 0.7 HG21 :: 1.02 HG22 :: 1.02 HG23 :: 1.02 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 :: 118.38 Ave N Shift Values>> N :: 121.02(4.96) 2.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.35 CA :: 68.88 CB :: 67.94 CG2 :: 20.92 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 :: 7.9 HA :: 3.66 HB :: 4.35 HG21 :: 1.27 HG22 :: 1.27 HG23 :: 1.27 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 :: 116.88 Ave N Shift Values>> N :: 115.7(5.05) 2.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.26 I 0.06 C 0.03 V 0.01 C Shift Assignments>> C :: 178.24 CA :: 55.79 CB :: 18.07 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.02 HA :: 3.85 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 :: 121.62 Ave N Shift Values>> N :: 123.23(3.7) 2.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.26 I 0.16 K 0.12 Q 0.08 M 0.01 HN Overlap>> 1.Q41 1.L15 1.Q41 1.L15 C Shift Assignments>> C :: 180.2 CA :: 59.36 CB :: 28.58 CG :: 35.61 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 :: 8.04 HA :: 4.03 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.09 HG3 :: 2.09 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 :: 116.43 Ave N Shift Values>> N :: 120.68(3.68) 2.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.35 R 0.18 G 0.06 C Shift Assignments>> C :: 180.24 CA :: 57.68 CB :: 43 CG :: 25.95 CD1 :: 27.06 CD2 :: 23.74 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 :: 8.6 HA :: 4.03 HB2 :: 2.25 HB3 :: 1.21 HG :: 1.93 HD11 :: 0.69 HD12 :: 0.69 HD13 :: 0.69 HD21 :: 0.74 HD22 :: 0.74 HD23 :: 0.74 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 :: 119.17 Ave N Shift Values>> N :: 121.98(4.07) 2.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.33 R 0.06 G 0.02 C Shift Assignments>> C :: 178.95 CA :: 58.21 CB :: 42.41 CG :: 26.13 CD1 :: 25.95 CD2 :: 24.61 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 :: 8.35 HA :: 4.05 HB2 :: 1.88 HB3 :: 1.52 HG :: 2.21 HD11 :: 0.94 HD12 :: 0.94 HD13 :: 0.94 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 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 :: 120.24 Ave N Shift Values>> N :: 121.98(4.07) 2.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.32 R 0.06 G 0.02 C Shift Assignments>> C :: 182.52 CA :: 57.51 CB :: 42.31 CG :: 26.42 CD1 :: 25.36 CD2 :: 23.61 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 :: 8.2 HA :: 4.33 HB2 :: 1.91 HB3 :: 1.55 HG :: 1.75 HD11 :: 0.8 HD12 :: 0.8 HD13 :: 0.8 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 :: 119.24 Ave N Shift Values>> N :: 121.98(4.07) 2.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.13 CA :: 65.42 CB :: 69.12 CG2 :: 21.98 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 :: 9.09 HA :: 4.18 HB :: 4.3 HG21 :: 1.39 HG22 :: 1.39 HG23 :: 1.39 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 :: 114.38 Ave N Shift Values>> N :: 115.7(5.05) 2.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.36 C 0.22 C Shift Assignments>> C :: 174.67 CA :: 54.59 CB :: 39.79 CG :: 177.25 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 :: 7.13 HA :: 4.9 HB2 :: 2.68 HB3 :: 2.84 HD21 :: 7.93 HD22 :: 7.65 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 :: 115.16 ND2 :: 112.57 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.G94 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 :: 174.43 CA :: 46.65 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.96 HA2 :: 4.02 HA3 :: 4.02 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.41 Ave N Shift Values>> N :: 109.91(4.29) 2.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 175.93 CA :: 62.61 CB :: 37.93 CG1 :: 28.82 CG2 :: 18.81 CD1 :: 13.63 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 :: 8.34 HA :: 3.88 HB :: 1.96 HG12 :: 1.54 HG13 :: 1.17 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 HD11 :: 0.91 HD12 :: 0.91 HD13 :: 0.91 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 :: 120.01 Ave N Shift Values>> N :: 121.6(4.72) 2.C96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 C 0.13 M 0.12 W 0.11 E 0.1 Q 0.1 K 0.09 C Shift Assignments>> C :: 171.53 CA :: 55.5 CB :: 30.94 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.48 HA :: 4.94 HB2 :: 3.45 HB3 :: 2.88 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 :: 112.66 Ave N Shift Values>> N :: 119.95(4.79) 2.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.37 R 0.14 M 0.01 G 0.01 C Shift Assignments>> C :: 178.68 CA :: 54.4 CB :: 34.81 CG :: 24.91 CD :: 28.89 CE :: 41.99 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 :: 9.12 HA :: 4.74 HB2 :: 1.74 HB3 :: 2.09 HG2 :: 1.5 HG3 :: 1.5 HD2 :: 1.75 HD3 :: 1.75 HE2 :: 3.04 HE3 :: 3.04 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 :: 119.25 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 178.56 CA :: 66.75 CB :: 31.53 CG1 :: 20.78 CG2 :: 22.15 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 :: 8.88 HA :: 3.64 HB :: 2.09 HG11 :: 1 HG12 :: 1 HG13 :: 1 HG21 :: 1.08 HG22 :: 1.08 HG23 :: 1.08 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 :: 122.13 Ave N Shift Values>> N :: 121.02(4.96) 2.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.18 D 0.17 C 0.16 L 0.12 N 0.06 K 0.06 I 0.02 HN Overlap>> 1.Q22 1.Q22 C Shift Assignments>> C :: 178.02 CA :: 56.17 CB :: 40.14 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 :: 8.41 HA :: 4.31 HB2 :: 2.42 HB3 :: 2.67 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 :: 116.42 Ave N Shift Values>> N :: 120.73(4.2) 2.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.19 D 0.13 F 0.12 C 0.11 Y 0.09 R 0.08 N 0.01 I 0.01 HN Overlap>> 1.Y23 1.Y23 C Shift Assignments>> C :: 176.09 CA :: 56.26 CB :: 41.6 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 :: 7.58 HA :: 4.4 HB2 :: 2.8 HB3 :: 2.88 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 :: 116.4 Ave N Shift Values>> N :: 120.73(4.2) 2.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.26 A 0.07 R 0.06 C Shift Assignments>> C :: 178.85 CA :: 54.57 CB :: 41.68 CG :: 26.72 CD1 :: 26.24 CD2 :: 22.63 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 :: 7.24 HA :: 4.01 HB2 :: 1.85 HB3 :: 1.36 HG :: 1.58 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 HD21 :: 0.45 HD22 :: 0.45 HD23 :: 0.45 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 :: 113.97 Ave N Shift Values>> N :: 121.98(4.07) 2.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> CA :: 66.22 CB :: 36.19 CG1 :: 29.14 CG2 :: 17.03 CD1 :: 12.63 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 :: 7.3 HA :: 3.91 HB :: 2.01 HG12 :: 1.73 HG13 :: 1.21 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 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 :: 122.02 Ave N Shift Values>> N :: 121.6(4.72) 2.P103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 176.51 CA :: 64.51 CB :: 31.26 CG :: 27.82 CD :: 50.86 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 :: 4.53 HB2 :: 2.42 HB3 :: 1.74 HG2 :: 1.92 HG3 :: 1.96 HD2 :: 3.66 HD3 :: 3.39 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) 2.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.27 A 0.07 R 0.03 C Shift Assignments>> C :: 175.51 CA :: 54.08 CB :: 40.96 CG :: 27.08 CD1 :: 26.02 CD2 :: 22.82 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 :: 7.44 HA :: 4.14 HB2 :: 1.45 HB3 :: 1.83 HG :: 1.45 HD11 :: 0.38 HD12 :: 0.38 HD13 :: 0.38 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 :: 115.36 Ave N Shift Values>> N :: 121.98(4.07) 2.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.19 C 0.02 L 0.01 C Shift Assignments>> C :: 177.74 CA :: 52.52 CB :: 19.46 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.27 HA :: 4.35 HB1 :: 1.48 HB2 :: 1.48 HB3 :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.74 Ave N Shift Values>> N :: 123.23(3.7) 2.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.S12 2.S12 C Shift Assignments>> C :: 174.27 CA :: 58.72 CB :: 63.74 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.23 HA :: 4.39 HB2 :: 3.76 HB3 :: 3.76 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 :: 116.28 Ave N Shift Values>> N :: 116.3(3.95) 2.R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.31 G 0.19 K 0.03 L 0.01 C Shift Assignments>> C :: 174.04 CA :: 53.59 CB :: 30.49 CG :: 26.71 CD :: 43.81 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 :: 8.44 HA :: 4.74 HB2 :: 1.89 HB3 :: 1.76 HG2 :: 1.68 HG3 :: 1.68 HD2 :: 3.24 HD3 :: 3.24 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 :: 124.16 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.P108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 176.24 CA :: 63.39 CB :: 31.82 CG :: 27.22 CD :: 50.67 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 :: 4.46 HB2 :: 2.32 HB3 :: 1.99 HG2 :: 2.08 HG3 :: 2.01 HD2 :: 3.67 HD3 :: 3.82 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) 2.Q109 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.34 Q 0.24 C Shift Assignments>> C :: 180.74 CA :: 57.32 CB :: 30.27 CG :: 34.32 CD :: 181.35(A) 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 :: 8.03 HA :: 4.16 HB2 :: 2.14 HB3 :: 2.14 HG2 :: 2.35 HG3 :: 2.35 HE21 :: 7.54 HE22 :: 6.83 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 :: 125.68 NE2 :: 112.2 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 159 #Clerical: 0 #Suspicious: 1 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 160 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 162 #Suspicious: 0 C Shift Results: #Consistent: 742 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 H Shift Results: #Consistent:1166 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 166 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N39 CG = 173.24(A), Expected = 176.61, Std = 1.3300, ChiSquare = 1.1282e-02 2.Q81 H = 10.72(S), Expected = 8.22, Std = 0.6200, ChiSquare = 5.5243e-05 2.Q109 CD = 181.35(A), Expected = 179.68, Std = 1.1700, ChiSquare = 1.5348e-01