Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.93 Y 0.06 C Shift Assignments>> C :: 174.66 CD2 :: 119.76 CE1 :: 136.71 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>> HD2 :: 7.1700 HE1 :: 8.3200 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) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 Q 0.2 C 0.19 K 0.19 R 0.05 H 0.05 E 0.04 V 0.02 C Shift Assignments>> C :: 176.14 CA :: 55.940 CB :: 33.440 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.4413 HA :: 4.7803 HG2 :: 2.4800 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 :: 121.52 Ave N Shift Values>> N :: 120.1(3.88) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> 1.S68 1.S90 1.S68 1.S90 C Shift Assignments>> C :: 174.30 CA :: 62.190 CB :: 69.690 CG2 :: 21.180 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 :: 8.1003 HA :: 4.7703 HB :: 4.2400 HG21 :: 1.1600 HG22 :: 1.1600 HG23 :: 1.1600 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 :: 115.31 Ave N Shift Values>> N :: 115.7(5.05) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.1 K 0.07 I 0.05 Q 0.05 HN Overlap>> 1.A21 1.E17 1.A21 1.E17 C Shift Assignments>> C :: 176.06 CA :: 57.190 CB :: 30.310 CG :: 36.180 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 :: 8.4343 HA :: 4.6703 HB2 :: 2.3300 HB3 :: 2.0100 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.61 Ave N Shift Values>> N :: 120.68(3.68) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.11 K 0.05 HN Overlap>> 1.L116 1.L116 C Shift Assignments>> C :: 174.61 CA :: 55.870 CB :: 30.800 CG :: 26.800 CD :: 43.680 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 :: 8.0443 HA :: 4.6403 HB2 :: 1.5600 HB3 :: 1.8200 HD2 :: 3.1400 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.91 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.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.34 G 0.11 K 0.08 C Shift Assignments>> C :: 176.07 CA :: 55.310 CB :: 30.930 CG :: 27.430 CD :: 43.680 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 :: 8.3133 HA :: 4.5603 HB2 :: 1.4800 HB3 :: 1.8000 HD2 :: 3.1400 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 :: 125.45 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.L9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.34 C 0.27 G 0.2 A 0.16 C Shift Assignments>> C :: 175.99 CA :: 54.060 CB :: 43.430 CG :: 24.930 CD1 :: 22.430 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 :: 11.109(S) HA :: 4.5303 HB2 :: 1.3400 HD11 :: 0.9500 HD12 :: 0.9500 HD13 :: 0.9500 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 :: 130.27 Ave N Shift Values>> N :: 121.98(4.07) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.33 K 0.11 G 0.05 C Shift Assignments>> C :: 177.55 CA :: 54.690 CB :: 30.930 CG :: 26.800 CD :: 43.050 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 :: 9.6103 HA :: 4.9503 HB2 :: 1.8800 HB3 :: 1.7700 HG2 :: 1.4800 HD2 :: 3.2400 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 :: 121.37 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.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.36 M 0.05 I 0.02 C Shift Assignments>> C :: 176.31 CA :: 61.560 CB :: 34.680 CG1 :: 20.940 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 :: 9.2103 HA :: 4.7403 HB :: 1.9800 HG11 :: 0.7100 HG12 :: 0.7100 HG13 :: 0.7100 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 :: 125.04 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 0.63 C 0.24 A 0.1 R 0.01 C Shift Assignments>> C :: 173.96 CA :: 54.060 CB :: 41.560 CG :: 26.800 CD1 :: 24.300 CD2 :: 22.430 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 :: 8.2743 HA :: 4.6403 HD11 :: 0.8400 HD12 :: 0.8400 HD13 :: 0.8400 HD21 :: 0.9200 HD22 :: 0.9200 HD23 :: 0.9200 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 :: 130.02 Ave N Shift Values>> N :: 121.98(4.07) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.31 M 0.05 C Shift Assignments>> C :: 174.30 CA :: 61.560 CB :: 33.430 CG1 :: 20.940 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 :: 8.3593 HA :: 4.6703 HB :: 2.1200 HG11 :: 0.8500 HG12 :: 0.8500 HG13 :: 0.8500 HG21 :: 0.6800 HG22 :: 0.6800 HG23 :: 0.6800 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 :: 128.13 Ave N Shift Values>> N :: 121.02(4.96) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 173.81 CA :: 60.940 CB :: 32.180 CG1 :: 23.050 CG2 :: 19.930 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 :: 8.8363 HA :: 4.9903 HB :: 2.1200 HG11 :: 0.8400 HG12 :: 0.8400 HG13 :: 0.8400 HG21 :: 0.7300 HG22 :: 0.7300 HG23 :: 0.7300 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 :: 128.41 Ave N Shift Values>> N :: 121.02(4.96) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 E 0.2 M 0.11 I 0.02 C Shift Assignments>> C :: 173.43 CA :: 55.310 CB :: 32.180 CG :: 38.050 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 :: 7.9533 HA :: 4.5603 HB2 :: 2.2200 HB3 :: 1.5900 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 :: 124.91 Ave N Shift Values>> N :: 120.68(3.68) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.21 K 0.16 C 0.1 F 0.08 Y 0.06 R 0.06 N 0.05 C Shift Assignments>> C :: 176.63 CA :: 54.690 CB :: 41.560 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 :: 9.3553 HA :: 4.5603 HB2 :: 2.7600 HB3 :: 3.1400 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 :: 125.84 Ave N Shift Values>> N :: 120.73(4.2) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.16 E 0.14 R 0.14 K 0.13 C 0.13 M 0.06 I 0.01 L 0.01 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> CA :: 56.250 CB :: 29.690 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 :: 8.5193 HA :: 4.3603 HB2 :: 2.1500 HG2 :: 2.4800 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.56 Ave N Shift Values>> N :: 120.68(3.68) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.25 V 0.24 I 0.21 P 0.13 C 0.04 F 0.03 Y 0.02 S 0.02 HN Overlap>> 1.I59 1.I59 C Shift Assignments>> C :: 177.10 CA :: 62.210 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.9520 HA :: 4.3703 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 :: 123.07 Ave N Shift Values>> N :: 116.3(3.95) 1.M19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.34 Q 0.08 K 0.06 E 0.02 R 0.01 C Shift Assignments>> C :: 178.83 CA :: 59.060 CB :: 32.180 CG :: 31.800 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 :: 9.0273 HA :: 4.2403 HB2 :: 2.2600 HG2 :: 2.5800 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 :: 119.89 Ave N Shift Values>> N :: 120.1(3.88) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 177.66 CA :: 61.560 CB :: 35.930 CG1 :: 27.430 CG2 :: 17.430 CD1 :: 12.810 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 :: 7.1913 HA :: 3.8203 HB :: 2.0900 HG12 :: 1.7400 HG13 :: 1.3800 HG21 :: 0.6600 HG22 :: 0.6600 HG23 :: 0.6600 HD11 :: 0.2200 HD12 :: 0.2200 HD13 :: 0.2200 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.67 Ave N Shift Values>> N :: 121.6(4.72) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.22 I 0.08 C 0.03 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> C :: 179.28 CA :: 55.940 CB :: 17.800 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.3643 HA :: 3.7103 HB1 :: 1.3700 HB2 :: 1.3700 HB3 :: 1.3700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.58 Ave N Shift Values>> N :: 123.23(3.7) 1.M22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 K 0.16 V 0.14 M 0.12 Q 0.1 R 0.08 E 0.06 H 0.05 I 0.01 C Shift Assignments>> C :: 177.49 CA :: 59.060 CB :: 32.810 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.0903 HA :: 4.2403 HB2 :: 2.1200 HG2 :: 2.5900 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.87 Ave N Shift Values>> N :: 120.1(3.88) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 L 0.28 C 0.17 R 0.14 I 0.03 C Shift Assignments>> C :: 180.94 CA :: 57.910 CB :: 42.180 CD1 :: 24.930 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 :: 7.4813 HA :: 4.3503 HB2 :: 1.8000 HB3 :: 2.1200 HG :: 1.6000 HD11 :: 0.9100 HD12 :: 0.9100 HD13 :: 0.9100 HD21 :: 0.7200 HD22 :: 0.7200 HD23 :: 0.7200 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 :: 120.39 Ave N Shift Values>> N :: 121.98(4.07) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 C 0.03 HN Overlap>> 1.I58 1.I58 1.N62 1.N62 C Shift Assignments>> C :: 177.27 CA :: 66.560 CB :: 38.430 CG1 :: 29.300 CG2 :: 18.050 CD1 :: 14.060 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 :: 8.6423 HA :: 3.4600 HB :: 1.9300 HG12 :: 1.3900 HG13 :: 1.3400 HG21 :: 0.7300 HG22 :: 0.7300 HG23 :: 0.7300 HD11 :: 0.6700 HD12 :: 0.6700 HD13 :: 0.6700 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 :: 120.85 Ave N Shift Values>> N :: 121.6(4.72) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.19 I 0.19 K 0.12 Q 0.09 P 0.01 M 0.01 R 0.01 C Shift Assignments>> C :: 178.35 CA :: 60.940 CB :: 29.060 CG :: 34.930 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 :: 8.5193 HA :: 3.7103 HB2 :: 2.2200 HG2 :: 2.4800 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 :: 119.58 Ave N Shift Values>> N :: 120.68(3.68) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 C 0.17 L 0.08 K 0.07 D 0.07 I 0.07 N 0.01 C Shift Assignments>> C :: 179.50 CA :: 57.810 CB :: 40.310 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 :: 8.8553 HA :: 4.3503 HB2 :: 2.6700 HB3 :: 2.8600 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 :: 119.55 Ave N Shift Values>> N :: 120.73(4.2) 1.T27 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 :: 176.31 CA :: 67.190 CB :: 68.440 CG2 :: 21.800 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 :: 8.1143 HA :: 4.2403 HB :: 4.0300 HG21 :: 1.3700 HG22 :: 1.3700 HG23 :: 1.3700 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 :: 117.35 Ave N Shift Values>> N :: 115.7(5.05) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 L 0.33 C 0.3 R 0.01 C Shift Assignments>> C :: 178.80 CA :: 58.440 CB :: 41.560 CG :: 27.430 CD1 :: 23.680 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 :: 8.6313 HA :: 3.9203 HB2 :: 1.0300 HB3 :: 2.0100 HD11 :: 0.7000 HD12 :: 0.7000 HD13 :: 0.7000 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 :: 120.39 Ave N Shift Values>> N :: 121.98(4.07) 1.C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 I 0.42 C 0.08 R 0.02 C Shift Assignments>> C :: 179.38 CA :: 62.810 CB :: 26.560 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.2103 HA :: 4.6703 HB2 :: 3.0400 HB3 :: 3.1800 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 :: 116.95 Ave N Shift Values>> N :: 119.95(4.79) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.23 K 0.17 Q 0.16 I 0.07 M 0.02 R 0.01 C Shift Assignments>> C :: 178.31 CA :: 59.070 CB :: 29.060 CG :: 34.930 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 :: 8.0403 HA :: 4.1303 HB2 :: 2.2000 HG2 :: 2.3300 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 :: 122.80 Ave N Shift Values>> N :: 120.68(3.68) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.33 G 0.16 A 0.15 C Shift Assignments>> C :: 176.32 CA :: 55.310 CB :: 43.430 CG :: 25.550 CD1 :: 21.800 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 :: 7.6623 HA :: 4.2403 HB2 :: 1.9000 HB3 :: 1.5900 HD11 :: 0.8400 HD12 :: 0.8400 HD13 :: 0.8400 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 :: 116.93 Ave N Shift Values>> N :: 121.98(4.07) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.02 CA :: 45.310 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.5953 HA2 :: 4.0303 HA3 :: 3.6000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.42 Ave N Shift Values>> N :: 109.91(4.29) 1.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 H 0.29 C Shift Assignments>> C :: 173.41 CA :: 55.310 CB :: 32.810 CD2 :: 115.93 CE1 :: 139.85 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 :: 7.7823 HA :: 5.2003 HB2 :: 2.6500 HB3 :: 3.3900 HD2 :: 6.4700 HE1 :: 7.8500 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.40 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.2 E 0.09 C Shift Assignments>> C :: 175.27 CA :: 54.690 CB :: 34.060 CG :: 36.180 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 :: 8.8593 HA :: 4.6703 HB2 :: 2.0100 HB3 :: 1.9000 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.84 Ave N Shift Values>> N :: 120.68(3.68) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.26 M 0.02 C Shift Assignments>> C :: 175.82 CA :: 62.190 CB :: 33.430 CG1 :: 21.800 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 :: 8.8773 HA :: 4.6703 HB :: 1.4800 HG11 :: 1.1600 HG12 :: 1.1600 HG13 :: 1.1600 HG21 :: 0.8300 HG22 :: 0.8300 HG23 :: 0.8300 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 :: 125.76 Ave N Shift Values>> N :: 121.02(4.96) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.27 L 0.05 C 0.05 C Shift Assignments>> C :: 177.49 CA :: 53.440 CB :: 20.310 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.1123 HA :: 4.2403 HB1 :: 1.3700 HB2 :: 1.3700 HB3 :: 1.3700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.95 Ave N Shift Values>> N :: 123.23(3.7) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 L 0.14 M 0.14 C 0.09 C Shift Assignments>> C :: 174.74 CA :: 51.560 CB :: 21.560 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.4683 HA :: 4.4203 HB1 :: 1.3500 HB2 :: 1.3500 HB3 :: 1.3500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.45 Ave N Shift Values>> N :: 123.23(3.7) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.33 CA :: 59.690 CB :: 70.940 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 :: 8.1743 HA :: 5.4803 HB :: 4.0000 HG21 :: 1.0300 HG22 :: 1.0300 HG23 :: 1.0300 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 :: 113.26 Ave N Shift Values>> N :: 115.7(5.05) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 L 0.23 C 0.14 M 0.11 K 0.01 C Shift Assignments>> C :: 175.51 CA :: 50.930 CB :: 22.180 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.6193 HA :: 4.6403 HB1 :: 1.2400 HB2 :: 1.2400 HB3 :: 1.2400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.04 Ave N Shift Values>> N :: 123.23(3.7) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 172.68 CA :: 57.810 CB :: 65.940 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.9693 HA :: 4.5303 HB2 :: 4.0000 HB3 :: 3.7900 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 :: 113.61 Ave N Shift Values>> N :: 116.3(3.95) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.22 R 0.21 G 0.08 C Shift Assignments>> C :: 176.60 CA :: 54.070 CB :: 34.060 CG :: 27.190 CD :: 43.050 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.3303 HA :: 4.7403 HB2 :: 1.7700 HB3 :: 1.9800 HG2 :: 1.2400 HD2 :: 3.1500 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 :: 117.83 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.M42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 R 0.16 E 0.16 H 0.12 K 0.09 Q 0.09 M 0.08 V 0.05 I 0.03 C Shift Assignments>> C :: 177.41 CA :: 58.440 CB :: 30.930 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 :: 9.3413 HA :: 4.0003 HB2 :: 2.0300 HB3 :: 2.2600 HG2 :: 2.7000 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 :: 123.45 Ave N Shift Values>> N :: 120.1(3.88) 1.Q43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.32 K 0.2 Q 0.2 R 0.09 E 0.07 I 0.04 P 0.03 M 0.01 C Shift Assignments>> C :: 178.36 CA :: 59.690 CB :: 27.810 CG :: 33.680 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 :: 8.9413 HA :: 4.6403 HB2 :: 3.7900(S) HB3 :: 1.9700 HG2 :: 2.3700 HE21 :: 7.3109 HE22 :: 6.6109 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 :: 116.99 NE2 :: 112.32 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.13 M 0.06 K 0.05 Q 0.03 C Shift Assignments>> C :: 178.21 CA :: 59.060 CB :: 30.310 CG :: 36.180 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 :: 7.1583 HA :: 4.1003 HB2 :: 2.2200 HG2 :: 2.3000 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.39 Ave N Shift Values>> N :: 120.68(3.68) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 M 0.42 C 0.04 L 0.02 V 0.01 I 0.01 C Shift Assignments>> C :: 178.49 CA :: 54.690 CB :: 19.680 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.2383 HA :: 3.6803 HB1 :: 1.2400 HB2 :: 1.2400 HB3 :: 1.2400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.05 Ave N Shift Values>> N :: 123.23(3.7) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.28 L 0.27 G 0.01 K 0.01 C Shift Assignments>> C :: 178.80 CA :: 58.440 CB :: 42.190 CG :: 28.680 CD1 :: 25.550 CD2 :: 23.050 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 :: 8.3523 HA :: 3.7903 HB2 :: 1.2900 HB3 :: 1.8700 HD11 :: 0.8100 HD12 :: 0.8100 HD13 :: 0.8100 HD21 :: 1.1300 HD22 :: 1.1300 HD23 :: 1.1300 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 :: 116.71 Ave N Shift Values>> N :: 121.98(4.07) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.17 L 0.13 Y 0.13 C 0.13 R 0.08 D 0.06 I 0.03 HN Overlap>> 1.A114 1.A114 C Shift Assignments>> C :: 178.78 CA :: 57.820 CB :: 41.560 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 :: 7.4023 HA :: 4.4203 HB2 :: 2.7200 HB3 :: 2.6200 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 :: 117.72 Ave N Shift Values>> N :: 120.73(4.2) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 178.66 CA :: 63.440 CB :: 38.430 CG1 :: 29.300 CG2 :: 19.300 CD1 :: 14.060 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 :: 8.2213 HA :: 3.8903 HB :: 1.6600 HG12 :: 1.1600 HG13 :: 0.8400 HG21 :: 0.3700 HG22 :: 0.3700 HG23 :: 0.3700 HD11 :: 0.0400 HD12 :: 0.0400 HD13 :: 0.0400 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.67 Ave N Shift Values>> N :: 121.6(4.72) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.35 I 0.03 C 0.03 V 0.01 C Shift Assignments>> C :: 178.35 CA :: 55.310 CB :: 18.430 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.6203 HA :: 4.0003 HB1 :: 1.3400 HB2 :: 1.3400 HB3 :: 1.3400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.15 Ave N Shift Values>> N :: 123.23(3.7) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.35 K 0.19 G 0.04 C Shift Assignments>> C :: 177.62 CA :: 58.440 CB :: 30.930 CG :: 28.050 CD :: 43.050 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.4383 HA :: 4.0003 HB2 :: 1.8700 HB3 :: 1.6600 HD3 :: 3.2400 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 :: 113.11 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.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.37 R 0.17 M 0.01 HN Overlap>> 1.V71 1.V71 C Shift Assignments>> C :: 178.49 CA :: 57.190 CB :: 35.310 CG :: 24.930 CD :: 29.300 CE :: 41.800 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 :: 7.5563 HA :: 4.3203 HB2 :: 1.7700 HG2 :: 1.3400 HG3 :: 1.2400 HE2 :: 2.9200 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 :: 114.92 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 172.49 CA :: 45.310 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.9243 HA2 :: 4.0003 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.14 Ave N Shift Values>> N :: 109.91(4.29) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 Q 0.25 C 0.24 M 0.09 R 0.09 E 0.04 C Shift Assignments>> C :: 173.57 CA :: 54.450 CB :: 29.060 CG :: 33.050 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 :: 8.3343 HA :: 4.7403 HB2 :: 1.8700 HG2 :: 2.1900 HG3 :: 2.2600 HE21 :: 7.3409 HE22 :: 6.7409 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 :: 120.47 NE2 :: 112.46 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 C 0.36 Y 0.18 C Shift Assignments>> C :: 173.13 CA :: 55.310 CB :: 39.060 CD1 :: 130.10 CE1 :: 130.13 CZ :: 128.48 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 :: 7.1803 HA :: 4.4203 HB2 :: 2.9400 HB3 :: 2.7200 HD1 :: 7.2000 HE1 :: 7.0700 HZ :: 7.0000 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 :: 119.08 Ave N Shift Values>> N :: 120.69(4.18) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.15 L 0.13 R 0.07 F 0.01 Y 0.01 C Shift Assignments>> C :: 175.49 CA :: 57.190 CB :: 45.310 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 :: 9.3283 HA :: 4.7403 HB2 :: 2.7200 HB3 :: 2.6200 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 :: 117.24 Ave N Shift Values>> N :: 120.73(4.2) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 G 0.19 I 0.17 A 0.01 C Shift Assignments>> C :: 173.43 CA :: 59.060 CB :: 43.430 CG1 :: 27.430 CG2 :: 18.680 CD1 :: 15.310 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 :: 7.6813 HA :: 5.1703 HB :: 1.6600 HG12 :: 1.2700 HG21 :: 0.7300 HG22 :: 0.7300 HG23 :: 0.7300 HD11 :: 0.5600 HD12 :: 0.5600 HD13 :: 0.5600 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 :: 109.47 Ave N Shift Values>> N :: 121.6(4.72) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.47 L 0.22 C 0.17 K 0.05 R 0.02 M 0.01 A 0.01 C Shift Assignments>> C :: 174.71 CA :: 50.310 CB :: 24.690 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.9983 HA :: 5.5203 HB1 :: 1.0600 HB2 :: 1.0600 HB3 :: 1.0600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.30 Ave N Shift Values>> N :: 123.23(3.7) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.28 L 0.05 K 0.03 R 0.01 HN Overlap>> 1.I24 1.N62 1.I24 1.N62 C Shift Assignments>> C :: 174.02 CA :: 60.940 CB :: 40.310 CG1 :: 26.800 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 :: 8.6983 HA :: 4.5603 HB :: 1.5900 HG12 :: 1.2700 HG21 :: 0.7400 HG22 :: 0.7400 HG23 :: 0.7400 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 :: 120.80 Ave N Shift Values>> N :: 121.6(4.72) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 C 0.26 K 0.17 I 0.15 R 0.1 HN Overlap>> 1.S18 1.S18 C Shift Assignments>> C :: 174.82 CA :: 57.810 CB :: 40.930 CG1 :: 26.800 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 :: 8.9543 HA :: 4.9903 HB :: 1.5900 HG12 :: 1.2700 HD11 :: 0.6300 HD12 :: 0.6300 HD13 :: 0.6300 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 :: 123.00 Ave N Shift Values>> N :: 121.6(4.72) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.17 N 0.12 C 0.11 K 0.09 F 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 177.28 CA :: 54.060 CB :: 40.930 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 :: 8.3903 HA :: 5.2003 HB2 :: 2.9700 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 :: 127.45 Ave N Shift Values>> N :: 120.73(4.2) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 V 0.42 C 0.07 I 0.04 HN Overlap>> 1.Y88 1.Y88 C Shift Assignments>> C :: 175.68 CA :: 64.070 CB :: 32.190 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 :: 8.5343 HA :: 3.7103 HB :: 1.9700 HG11 :: 0.8500 HG12 :: 0.8500 HG13 :: 0.8500 HG21 :: 0.7200 HG22 :: 0.7200 HG23 :: 0.7200 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 :: 121.03 Ave N Shift Values>> N :: 121.02(4.96) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.23 R 0.12 C 0.12 G 0.07 K 0.06 N 0.05 F 0.03 Y 0.02 HN Overlap>> 1.I58 1.I24 1.I58 1.I24 C Shift Assignments>> C :: 173.00 CA :: 52.180 CB :: 42.810 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 :: 8.7053 HA :: 5.2003 HB2 :: 3.5000 HB3 :: 2.4400 HD21 :: 7.6009 HD22 :: 6.8209 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 :: 120.83 ND2 :: 113.60 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.39 C 0.17 C Shift Assignments>> C :: 176.06 CA :: 53.430 CB :: 44.680 CG :: 26.800 CD1 :: 24.300 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 :: 8.9573 HA :: 4.4603 HB2 :: 1.3800 HB3 :: 1.5900 HD11 :: 0.6200 HD12 :: 0.6200 HD13 :: 0.6200 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 :: 121.92 Ave N Shift Values>> N :: 121.98(4.07) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.14 L 0.13 C 0.13 F 0.11 Y 0.11 K 0.05 C Shift Assignments>> C :: 176.04 CA :: 54.690 CB :: 40.310 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 :: 9.8513 HA :: 4.2403 HB2 :: 3.1800 HB3 :: 2.5800 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 :: 128.61 Ave N Shift Values>> N :: 120.73(4.2) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.02 CA :: 45.310 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.3823 HA2 :: 4.2103 HA3 :: 3.6400 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.68 Ave N Shift Values>> N :: 109.91(4.29) 1.E66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.23 M 0.21 H 0.16 R 0.12 K 0.1 Q 0.06 E 0.05 P 0.03 C Shift Assignments>> C :: 178.38 CA :: 52.810 CB :: 31.560 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 :: 7.7923 HA :: 4.9503 HB2 :: 1.8700 HG2 :: 1.4500(S) HG3 :: 2.1900 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 :: 121.13 Ave N Shift Values>> N :: 120.68(3.68) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 175.51 CA :: 62.190 CB :: 32.810 CG :: 28.050 CD :: 50.550 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 :: 4.7800 HB2 :: 2.0400 HG2 :: 2.1900 HD2 :: 3.8400 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.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I83 1.T5 1.I83 1.T5 1.S90 1.S90 C Shift Assignments>> C :: 178.46 CA :: 57.810 CB :: 63.440 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.9903 HA :: 4.6403 HB2 :: 4.2100 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 :: 115.29 Ave N Shift Values>> N :: 116.3(3.95) 1.Y69 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 Y 0.35 H 0.04 C Shift Assignments>> C :: 184.78(A) CA :: 60.310 CB :: 35.310 CD1 :: 132.34 CE1 :: 118.67 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 :: 6.4813 HA :: 4.4203 HB2 :: 3.5400 HB3 :: 3.0500 HD1 :: 6.9700 HE1 :: 6.7100 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 :: 119.97 Ave N Shift Values>> N :: 120.79(4.69) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> C :: 179.24 CA :: 66.560 CB :: 32.180 CG :: 28.680 CD :: 50.550 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 :: 4.4500 HB2 :: 2.3700 HB3 :: 2.0400 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.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> 1.K51 1.K51 C Shift Assignments>> C :: 177.18 CA :: 65.310 CB :: 32.180 CG1 :: 21.180 CG2 :: 23.050 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 :: 7.6383 HA :: 3.3603 HB :: 2.0900 HG11 :: 0.7100 HG12 :: 0.7100 HG13 :: 0.7100 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 :: 114.98 Ave N Shift Values>> N :: 121.02(4.96) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.45 C 0.03 I 0.02 C Shift Assignments>> C :: 178.35 CA :: 54.690 CB :: 18.430 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.8863 HA :: 2.9403 HB1 :: 1.1300 HB2 :: 1.1300 HB3 :: 1.1300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.95 Ave N Shift Values>> N :: 123.23(3.7) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.24 C 0.19 D 0.09 L 0.07 I 0.06 N 0.03 K 0.02 E 0.01 C Shift Assignments>> C :: 179.71 CA :: 57.190 CB :: 39.680 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 :: 8.6103 HA :: 4.4203 HB2 :: 2.8900 HB3 :: 2.7200 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 :: 116.00 Ave N Shift Values>> N :: 120.73(4.2) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 178.00 CA :: 64.690 CB :: 38.430 CG1 :: 29.300 CD1 :: 15.310 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 :: 7.0643 HA :: 3.7903 HB :: 1.8700 HG12 :: 1.1400 HG21 :: 0.7100 HG22 :: 0.7100 HG23 :: 0.7100 HD11 :: 0.9100 HD12 :: 0.9100 HD13 :: 0.9100 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 :: 120.95 Ave N Shift Values>> N :: 121.6(4.72) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.35 K 0.11 C Shift Assignments>> C :: 179.24 CA :: 58.440 CB :: 40.310 CG :: 26.800 CD1 :: 23.050 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 :: 7.4573 HA :: 3.7903 HB2 :: 1.5600 HB3 :: 1.8000 HD11 :: 0.7400 HD12 :: 0.7400 HD13 :: 0.7400 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 :: 119.72 Ave N Shift Values>> N :: 121.98(4.07) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.45 C 0.03 I 0.02 C Shift Assignments>> C :: 182.36 CA :: 54.690 CB :: 18.430 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.9083 HA :: 4.5303 HB1 :: 1.7700 HB2 :: 1.7700 HB3 :: 1.7700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.13 Ave N Shift Values>> N :: 123.23(3.7) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.15 K 0.08 Q 0.03 M 0.03 C Shift Assignments>> C :: 178.29 CA :: 59.060 CB :: 29.680 CG :: 36.180 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 :: 7.7923 HA :: 4.1103 HB2 :: 2.0900 HB3 :: 1.7700 HG2 :: 2.5100 HG3 :: 2.3000 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 :: 120.37 Ave N Shift Values>> N :: 120.68(3.68) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.37 G 0.2 K 0.03 C Shift Assignments>> C :: 175.30 CA :: 56.560 CB :: 30.930 CG :: 27.430 CD :: 44.300 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.7323 HA :: 4.3203 HB2 :: 2.0900 HB3 :: 1.7700 HG2 :: 1.6500 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.16 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.26 E 0.1 Y 0.1 F 0.05 M 0.05 D 0.05 K 0.01 C Shift Assignments>> C :: 174.16 CA :: 54.060 CB :: 37.180 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 :: 8.0543 HA :: 4.3203 HB2 :: 3.1500 HB3 :: 2.8300 HD21 :: 7.4509 HD22 :: 6.7809 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 :: 116.09 ND2 :: 111.90 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 C 0.39 M 0.08 K 0.04 C Shift Assignments>> C :: 174.44 CA :: 60.310 CB :: 33.430 CG1 :: 22.200 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 :: 8.1923 HA :: 4.4203 HB :: 1.9800 HG21 :: 0.9200 HG22 :: 0.9200 HG23 :: 0.9200 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 :: 121.21 Ave N Shift Values>> N :: 121.02(4.96) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.06 CA :: 62.810 CB :: 32.810 CG :: 27.430 CD :: 51.180 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 :: 4.3400 HB2 :: 2.3700 HB3 :: 2.0400 HG2 :: 1.8200 HD2 :: 4.1200 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.F82 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 C 0.3 F 0.22 G 0.07 C Shift Assignments>> C :: 184.16(A) CA :: 54.690 CB :: 42.810 CD1 :: 132.10 CE1 :: 130.17 CZ :: 131.94 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 :: 7.3033 HA :: 5.5903 HB2 :: 2.5100 HB3 :: 2.8300 HD1 :: 6.7200 HE1 :: 7.1000 HZ :: 7.2400 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 :: 113.41 Ave N Shift Values>> N :: 120.69(4.18) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.27 G 0.08 A 0.02 HN Overlap>> 1.S68 1.S68 C Shift Assignments>> C :: 175.30 CA :: 58.810 CB :: 42.850 CG1 :: 27.430 CG2 :: 18.050 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 :: 7.8773 HA :: 4.2103 HB :: 1.5600 HG12 :: 0.7100 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 :: 115.29 Ave N Shift Values>> N :: 121.6(4.72) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 C 0.33 F 0.18 G 0.06 C Shift Assignments>> C :: 175.51 CA :: 55.310 CB :: 42.810 CD1 :: 131.98 CE1 :: 132.90 CZ :: 128.10 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 :: 8.3583 HA :: 6.1203 HB2 :: 2.8300 HB3 :: 2.9600 HD1 :: 7.3200 HE1 :: 7.1200 HZ :: 6.6300 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 :: 122.73 Ave N Shift Values>> N :: 120.69(4.18) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.06 C 0.04 L 0.01 G 0.01 C Shift Assignments>> C :: 176.17 CA :: 49.680 CB :: 20.310 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.6033 HA :: 5.5903 HB1 :: 1.1300 HB2 :: 1.1300 HB3 :: 1.1300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.29 Ave N Shift Values>> N :: 123.23(3.7) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.26 A 0.05 HN Overlap>> 1.S110 1.S110 C Shift Assignments>> C :: 173.03 CA :: 59.070 CB :: 70.940 CG2 :: 19.060 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 :: 8.6493 HA :: 4.3203 HB :: 3.9200 HG21 :: 1.5400 HG22 :: 1.5400 HG23 :: 1.5400 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 :: 114.27 Ave N Shift Values>> N :: 115.7(5.05) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.16 CA :: 45.310 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.5833 HA2 :: 4.6403 HA3 :: 3.8200 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.85 Ave N Shift Values>> N :: 109.91(4.29) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 HN Overlap>> 1.V61 1.V61 C Shift Assignments>> C :: 176.74 CA :: 58.440 CB :: 38.430 CD1 :: 132.89 CE1 :: 118.12 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.5513 HA :: 4.6703 HB2 :: 3.0500 HD1 :: 7.1500 HE1 :: 6.8700 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 :: 121.07 Ave N Shift Values>> N :: 120.79(4.69) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.33 CA :: 45.310 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.3143 HA2 :: 4.0003 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.87 Ave N Shift Values>> N :: 109.91(4.29) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T5 1.S68 1.T5 1.S68 C Shift Assignments>> C :: 174.78 CA :: 58.440 CB :: 64.070 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.0033 HA :: 4.6403 HB2 :: 4.3200 HB3 :: 3.8900 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 :: 115.26 Ave N Shift Values>> N :: 116.3(3.95) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.45 M 0.06 C Shift Assignments>> C :: 176.96 CA :: 56.560 CB :: 32.810 CG :: 24.300 CD :: 29.300 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 :: 8.1843 HA :: 4.6403 HB2 :: 1.7700 HB3 :: 1.4500 HG2 :: 1.2400 HE2 :: 3.0200 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 :: 122.94 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.85 CA :: 45.310 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.3233 HA2 :: 3.8903 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.41 Ave N Shift Values>> N :: 109.91(4.29) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.23 G 0.1 R 0.08 A 0.01 C Shift Assignments>> C :: 177.17 CA :: 54.690 CB :: 43.430 CG :: 26.800 CD1 :: 25.550 CD2 :: 23.680 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 :: 7.9153 HA :: 4.3203 HB2 :: 1.5600 HB3 :: 1.5900 HD11 :: 0.7300 HD12 :: 0.7300 HD13 :: 0.7300 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 :: 121.75 Ave N Shift Values>> N :: 121.98(4.07) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.25 C 0.11 D 0.1 G 0.07 K 0.06 F 0.04 Y 0.02 C Shift Assignments>> C :: 177.49 CA :: 54.760 CB :: 43.440 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 :: 7.6553 HA :: 4.4203 HB2 :: 2.4100 HB3 :: 2.7000 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 :: 122.74 Ave N Shift Values>> N :: 120.73(4.2) 1.T95 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 :: 176.53 CA :: 64.690 CB :: 69.060 CG2 :: 21.180 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 :: 8.2143 HA :: 4.6403 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 :: 117.69 Ave N Shift Values>> N :: 115.7(5.05) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.35 G 0.11 K 0.1 L 0.03 C Shift Assignments>> C :: 176.88 CA :: 58.440 CB :: 29.680 CG :: 26.180 CD :: 43.680 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 :: 8.7003 HA :: 4.6403 HB2 :: 1.1300 HB3 :: 1.4500 HD2 :: 2.9200 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.35 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.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 176.60 CA :: 56.560 CB :: 38.430 CD1 :: 132.34 CE1 :: 118.12 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.0003 HA :: 4.9503 HB2 :: 2.7200 HB3 :: 3.7900 HD1 :: 7.0200 HE1 :: 6.5700 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 :: 117.12 Ave N Shift Values>> N :: 120.79(4.69) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.40 CA :: 61.490 CB :: 63.440 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.5783 HA :: 4.2103 HB2 :: 3.8900 HB3 :: 3.5700 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.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.21 D 0.09 Y 0.08 F 0.05 E 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 174.71 CA :: 53.280 CB :: 37.810 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 :: 8.6063 HA :: 4.7403 HB2 :: 2.6200 HB3 :: 2.8300 HD21 :: 7.4809 HD22 :: 6.8009 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 :: 117.24 ND2 :: 112.89 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I100 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 56.560 CB :: 37.180 CG1 :: 26.560 CG2 :: 9.0700(S) CD1 :: 9.0700 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 :: 7.5183 HA :: 4.2103 HB :: 2.3000 HG12 :: 1.4500 HG13 :: 1.3400 HG21 :: 0.7100 HG22 :: 0.7100 HG23 :: 0.7100 HD11 :: 0.3900 HD12 :: 0.3900 HD13 :: 0.3900 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 :: 124.21 Ave N Shift Values>> N :: 121.6(4.72) 1.P101 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 :: 173.88 CA :: 64.070 CB :: 32.810 CG :: 28.050 CD :: 50.550 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 :: 4.3400 HB2 :: 2.3700 HB3 :: 1.7100 HD2 :: 3.6100 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.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.27 C 0.15 C Shift Assignments>> C :: 176.24 CA :: 53.440 CB :: 45.310 CG :: 26.800 CD1 :: 24.930 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 :: 7.8723 HA :: 4.9103 HB2 :: 1.5900 HB3 :: 1.5600 HD11 :: 0.3400 HD12 :: 0.3400 HD13 :: 0.3400 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 :: 121.04 Ave N Shift Values>> N :: 121.98(4.07) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.26 C 0.15 C Shift Assignments>> C :: 175.65 CA :: 53.440 CB :: 45.310 CG :: 26.800 CD1 :: 24.300 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.0853 HA :: 4.5303 HB3 :: 1.4500 HD11 :: 0.4000 HD12 :: 0.4000 HD13 :: 0.4000 HD21 :: 1.1300 HD22 :: 1.1300 HD23 :: 1.1300 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 :: 126.88 Ave N Shift Values>> N :: 121.98(4.07) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.60 CA :: 61.560 CB :: 69.690 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 :: 8.4563 HA :: 4.7403 HB :: 4.0000 HG21 :: 1.1300 HG22 :: 1.1300 HG23 :: 1.1300 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 :: 118.64 Ave N Shift Values>> N :: 115.7(5.05) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 C 0.24 Q 0.17 K 0.16 H 0.06 R 0.05 E 0.02 C Shift Assignments>> C :: 174.93 CA :: 53.710 CB :: 33.440 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 :: 8.1143 HA :: 4.3203 HB2 :: 1.8700 HG2 :: 1.5600 HD2 :: 2.1900 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.37 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.66 F 0.32 C Shift Assignments>> CD1 :: 130.21 CE1 :: 131.21 CZ :: 131.63 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>> HD1 :: 7.3200 HE1 :: 7.2600 HZ :: 7.3600 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) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.39 T 0.35 M 0.1 A 0.09 C 0.02 L 0.01 C Shift Assignments>> CD1 :: 21.180 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) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.21 K 0.12 C 0.1 N 0.09 F 0.06 R 0.05 Y 0.05 C Shift Assignments>> CA :: 53.670 CB :: 41.560 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 :: 9.1223 HA :: 4.6800 HB2 :: 2.8100 HB3 :: 3.1400 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 :: 124.83 Ave N Shift Values>> N :: 120.73(4.2) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T86 1.T86 C Shift Assignments>> C :: 177.49 CA :: 60.700 CB :: 62.190 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.6643 HA :: 4.2403 HB2 :: 3.9200 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 :: 114.26 Ave N Shift Values>> N :: 116.3(3.95) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 I 0.18 M 0.04 K 0.03 Q 0.01 HN Overlap>> 1.V123 1.V123 C Shift Assignments>> C :: 178.78 CA :: 59.070 CB :: 30.310 CG :: 36.800 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 :: 7.4543 HA :: 4.1003 HG3 :: 2.4100 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.54 Ave N Shift Values>> N :: 120.68(3.68) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 L 0.36 K 0.25 C Shift Assignments>> C :: 177.74 CA :: 57.810 CB :: 40.930 CG :: 27.420 CD1 :: 23.050 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 :: 7.6583 HA :: 4.0003 HB2 :: 1.8700 HG :: 1.3400 HD11 :: 0.7300 HD12 :: 0.7300 HD13 :: 0.7300 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 :: 120.20 Ave N Shift Values>> N :: 121.98(4.07) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.29 I 0.18 K 0.08 Q 0.06 M 0.03 C Shift Assignments>> C :: 177.66 CA :: 60.320 CB :: 29.690 CG :: 35.550 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 :: 8.5263 HA :: 3.7903 HB2 :: 2.0400 HG2 :: 2.2600 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 :: 118.39 Ave N Shift Values>> N :: 120.68(3.68) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.35 I 0.03 C 0.03 V 0.01 HN Overlap>> 1.D47 1.D47 C Shift Assignments>> C :: 181.10 CA :: 55.320 CB :: 18.440 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.4883 HA :: 4.1003 HB1 :: 1.5600 HB2 :: 1.5600 HB3 :: 1.5600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.70 Ave N Shift Values>> N :: 123.23(3.7) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.07 C Shift Assignments>> C :: 177.66 CA :: 65.320 CB :: 31.750 CG1 :: 21.800 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 :: 7.5423 HA :: 4.0003 HB :: 2.0500 HG11 :: 1.0300 HG12 :: 1.0300 HG13 :: 1.0300 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 :: 115.95 Ave N Shift Values>> N :: 121.02(4.96) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.39 K 0.07 A 0.01 HN Overlap>> 1.R7 1.R7 C Shift Assignments>> C :: 180.13 CA :: 57.810 CB :: 40.930 CG :: 26.180 CD1 :: 22.430 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 :: 8.0503 HA :: 4.3203 HB2 :: 1.7700 HB3 :: 1.4700 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 :: 121.00 Ave N Shift Values>> N :: 121.98(4.07) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 178.46 CA :: 65.940 CB :: 31.560 CG1 :: 22.430 CG2 :: 20.550 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 :: 8.1973 HA :: 3.6803 HB :: 2.1900 HG11 :: 1.1000 HG12 :: 1.1000 HG13 :: 1.1000 HG21 :: 0.9600 HG22 :: 0.9600 HG23 :: 0.9600 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 :: 119.22 Ave N Shift Values>> N :: 121.02(4.96) 1.Q118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.26 Q 0.21 R 0.1 E 0.06 M 0.05 I 0.01 C Shift Assignments>> C :: 178.66 CA :: 58.800 CB :: 28.820 CG :: 33.050 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 :: 7.4693 HA :: 3.8903 HB2 :: 2.1900 HG3 :: 2.4100 HE21 :: 7.4309 HE22 :: 6.7809 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 :: 118.43 NE2 :: 111.19 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 177.01 CA :: 62.190 CB :: 38.430 CG1 :: 27.430 CG2 :: 17.430 CD1 :: 15.310 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 :: 7.8743 HA :: 4.2103 HB :: 1.5600 HG21 :: 0.7100 HG22 :: 0.7100 HG23 :: 0.7100 HD11 :: 0.6700 HD12 :: 0.6700 HD13 :: 0.6700 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 :: 114.72 Ave N Shift Values>> N :: 121.6(4.72) 1.S120 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 :: 59.690 CB :: 63.440 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.7783 HA :: 4.2403 HB2 :: 3.8200 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 :: 115.71 Ave N Shift Values>> N :: 116.3(3.95) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.37 R 0.19 M 0.03 G 0.01 C Shift Assignments>> C :: 176.79 CA :: 57.190 CB :: 32.810 CG :: 24.690 CD :: 29.300 CE :: 42.430 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 :: 7.5343 HA :: 4.3503 HB2 :: 1.8700 HB3 :: 1.5900 HG2 :: 1.4600 HD2 :: 1.9100 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 :: 120.89 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 C 0.3 M 0.12 Q 0.11 K 0.11 I 0.02 C Shift Assignments>> C :: 175.69 CA :: 56.560 CB :: 30.310 CG :: 35.550 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 :: 8.1393 HA :: 4.3503 HB2 :: 2.1300 HB3 :: 2.0100 HG3 :: 2.2300 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 :: 120.14 Ave N Shift Values>> N :: 120.68(3.68) 1.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 HN Overlap>> 1.E111 1.E111 C Shift Assignments>> C :: 180.97 CA :: 64.070 CB :: 33.440 CG1 :: 20.940 CG2 :: 20.310 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 :: 7.4063 HA :: 4.0303 HB :: 2.1200 HG11 :: 0.8400 HG12 :: 0.8400 HG13 :: 0.8400 HG21 :: 0.9100 HG22 :: 0.9100 HG23 :: 0.9100 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.54 Ave N Shift Values>> N :: 121.02(4.96) ########################################################################### Overall Results: #Consistent: 117 #Clerical: 0 #Suspicious: 3 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 119 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 123 #Suspicious: 0 C Shift Results: #Consistent: 475 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 2 H Shift Results: #Consistent: 657 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 119 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L9 H = 11.109(S), Expected = 8.22, Std = 0.6500, ChiSquare = 8.8049e-06 1.Q43 HB2 = 3.7900(S), Expected = 2.05, Std = 0.2800, ChiSquare = 5.1559e-10 1.E66 HG2 = 1.4500(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.2173e-05 1.Y69 C = 184.78(A), Expected = 175.39, Std = 1.8900, ChiSquare = 6.7558e-07 1.F82 C = 184.16(A), Expected = 175.49, Std = 2.1300, ChiSquare = 4.6928e-05 1.I100 Typing: Mistyped 1.I100 CG2 = 9.0700(S), Expected = 17.36, Std = 1.6000, ChiSquare = 2.2040e-07