Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.79 R 0.19 C Shift Assignments>> C :: 176.8400 CA :: 56.1800 CB :: 33.0300 CG :: 24.5600 CD :: 28.8300 CE :: 41.9100 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 4.3170 HB2 :: 1.6220 HB3 :: 1.7760 HG2 :: 1.3270 HG3 :: 1.3270 HD2 :: 1.5730 HD3 :: 1.5730 HE2 :: 2.8880 HE3 :: 2.8880 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.1200 CA :: 61.5300 CB :: 38.0400 CG1 :: 27.5800 CG2 :: 17.6200 CD1 :: 12.7100 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.3910 HA :: 3.9190 HB :: 1.7120 HG12 :: 1.0690 HG13 :: 1.3170 HG21 :: 0.7390 HG22 :: 0.7390 HG23 :: 0.7390 HD11 :: 0.6540 HD12 :: 0.6540 HD13 :: 0.6540 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.9900 Ave N Shift Values>> N :: 121.46(4.28) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.16 Q 0.1 I 0.08 M 0.04 HN Overlap>> 1.I117 1.I117 C Shift Assignments>> C :: 175.8300 CA :: 56.9000 CB :: 29.3500 CG :: 36.2100 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.5080 HA :: 4.1160 HB2 :: 1.7470 HB3 :: 1.8160 HG2 :: 2.0890 HG3 :: 2.0890 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.4300 Ave N Shift Values>> N :: 120.67(3.48) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 M 0.16 Q 0.11 K 0.1 I 0.02 C Shift Assignments>> C :: 176.2700 CA :: 55.7000 CB :: 30.1900 CG :: 36.1050 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.8430 HA :: 4.1280 HB2 :: 1.7250 HB3 :: 1.9080 HG2 :: 2.0500 HG3 :: 2.0500 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.4900 Ave N Shift Values>> N :: 120.67(3.48) 1.F7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 Y 0.42 C Shift Assignments>> C :: 174.8100 CA :: 59.6600 CB :: 39.9900 CD1 :: 131.0300 CD2 :: 131.0300 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.0920 HA :: 4.2840 HB2 :: 2.8610 HB3 :: 2.8320 HD1 :: 6.8940 HD2 :: 6.8940 HE1 :: 6.8900 HE2 :: 6.8900 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.0900 Ave N Shift Values>> N :: 120.45(4.18) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 A 0.05 C Shift Assignments>> C :: 176.9400 CA :: 52.7300 CB :: 45.6500 CG :: 26.5600 CD1 :: 23.3800 CD2 :: 27.2000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.7210 HA :: 4.7920 HB2 :: 1.4800 HB3 :: 1.5750 HG :: 1.3850 HD11 :: 0.6150 HD12 :: 0.6150 HD13 :: 0.6150 HD21 :: 0.6230 HD22 :: 0.6230 HD23 :: 0.6230 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.7000 Ave N Shift Values>> N :: 121.86(3.9) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.4100 CA :: 60.6500 CB :: 70.8000 CG2 :: 21.5300 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.2240 HA :: 4.3970 HB :: 4.6750 HG21 :: 1.2300 HG22 :: 1.2300 HG23 :: 1.2300 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.7000 Ave N Shift Values>> N :: 115.42(4.75) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.31 I 0.05 C Shift Assignments>> C :: 181.0500 CA :: 55.5000 CB :: 17.9140 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8810 HA :: 4.0360 HB1 :: 1.3840 HB2 :: 1.3840 HB3 :: 1.3840 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.3500 Ave N Shift Values>> N :: 123.23(3.54) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.38 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.5000 CA :: 59.4900 CB :: 29.1200 CG :: 36.6600 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.4600 HA :: 3.9490 HB2 :: 1.9480 HB3 :: 1.8560 HG2 :: 2.2600 HG3 :: 2.2200 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.6800 Ave N Shift Values>> N :: 120.67(3.48) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.31 M 0.08 K 0.01 C Shift Assignments>> C :: 178.1300 CA :: 59.2100 CB :: 30.8000 CG :: 37.7400 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.6980 HA :: 3.8180 HB2 :: 1.6140 HB3 :: 2.4720 HG2 :: 2.5190 HG3 :: 2.5190 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.8600 Ave N Shift Values>> N :: 120.67(3.48) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 E 0.35 K 0.04 Q 0.01 C Shift Assignments>> C :: 178.0700 CA :: 60.5390 CB :: 29.1300 CG :: 36.8000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.4930 HA :: 3.6400 HB2 :: 2.0050 HB3 :: 2.0040 HG2 :: 1.9130 HG3 :: 2.3070 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.1700 Ave N Shift Values>> N :: 120.67(3.48) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 G 0.01 C Shift Assignments>> C :: 177.4200 CA :: 59.3500 CB :: 32.2000 CG :: 24.8500 CD :: 29.0800 CE :: 41.9900 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6500 HA :: 3.8870 HB2 :: 1.8240 HB3 :: 1.8230 HG2 :: 1.3440 HG3 :: 1.4550 HD2 :: 1.6800 HD3 :: 1.6800 HE2 :: 2.9590 HE3 :: 2.9590 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.9800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.44 I 0.02 C Shift Assignments>> C :: 180.5500 CA :: 54.6000 CB :: 17.7900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3620 HA :: 4.0980 HB1 :: 1.4290 HB2 :: 1.4290 HB3 :: 1.4290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.2100 Ave N Shift Values>> N :: 123.23(3.54) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.5100 CA :: 65.0720 CB :: 37.5800 CG1 :: 29.9300 CG2 :: 17.9800 CD1 :: 15.9000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.5920 HA :: 3.4930 HB :: 1.9580 HG12 :: 1.6540 HG13 :: 0.8950 HG21 :: 0.6980 HG22 :: 0.6980 HG23 :: 0.6980 HD11 :: 0.7570 HD12 :: 0.7570 HD13 :: 0.7570 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.9900 Ave N Shift Values>> N :: 121.46(4.28) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.6200 CA :: 67.3240 CB :: 31.3500 CG1 :: 21.4100 CG2 :: 22.8000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1550 HA :: 3.5040 HB :: 2.0610 HG11 :: 0.8570 HG12 :: 0.8570 HG13 :: 0.8570 HG21 :: 1.0810 HG22 :: 1.0810 HG23 :: 1.0810 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.5200 Ave N Shift Values>> N :: 121.14(4.54) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.31 D 0.12 L 0.08 I 0.07 N 0.05 C Shift Assignments>> C :: 177.9800 CA :: 57.0500 CB :: 39.4100 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.6050 HA :: 4.2230 HB2 :: 2.6400 HB3 :: 2.6100 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.0000 Ave N Shift Values>> N :: 120.65(3.86) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.39 I 0.03 C Shift Assignments>> C :: 180.7200 CA :: 54.9700 CB :: 17.8500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7020 HA :: 4.1940 HB1 :: 1.5850 HB2 :: 1.5850 HB3 :: 1.5850 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.6200 Ave N Shift Values>> N :: 123.23(3.54) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.7400 CA :: 66.8300 CB :: 38.1400 CG1 :: 30.4300 CG2 :: 17.9500 CD1 :: 13.7700 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.2340 HA :: 3.3090 HB :: 2.0700 HG12 :: 2.0950 HG13 :: 0.5600 HG21 :: 0.8820 HG22 :: 0.8820 HG23 :: 0.8820 HD11 :: 0.9270 HD12 :: 0.9270 HD13 :: 0.9270 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.6200 Ave N Shift Values>> N :: 121.46(4.28) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.21 G 0.07 L 0.06 C Shift Assignments>> C :: 179.5400 CA :: 58.9900 CB :: 29.0200 CG :: 26.7200 CD :: 43.0300 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2120 HA :: 3.8990 HB2 :: 1.8930 HB3 :: 2.0600 HG2 :: 1.3760 HG3 :: 1.7900 HD2 :: 3.1680 HD3 :: 3.1680 HE :: 7.2750 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.6600 NE :: 83.3400 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.31 D 0.12 L 0.1 I 0.07 N 0.03 K 0.01 C Shift Assignments>> C :: 179.1900 CA :: 57.2700 CB :: 39.7700 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1370 HA :: 4.2390 HB2 :: 2.6360 HB3 :: 2.5880 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.6400 Ave N Shift Values>> N :: 120.65(3.86) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.44 I 0.04 V 0.01 C Shift Assignments>> C :: 181.0600 CA :: 55.4300 CB :: 18.6900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5000 HA :: 4.2070 HB1 :: 1.3550 HB2 :: 1.3550 HB3 :: 1.3550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.1200 Ave N Shift Values>> N :: 123.23(3.54) 1.E24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.51 I 0.33 K 0.1 Q 0.03 C Shift Assignments>> C :: 176.3900 CA :: 58.1800 CB :: 28.2000 CG :: 36.6600 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.4510 HA :: 4.2130 HB2 :: 2.8160(S) HB3 :: 1.8590 HG2 :: 2.1400 HG3 :: 2.2000 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.4600 Ave N Shift Values>> N :: 120.67(3.48) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.24 HN Overlap>> 1.M48 1.M48 C Shift Assignments>> C :: 176.0200 CA :: 56.2200 CB :: 32.0700 CG :: 24.8400 CD :: 28.8500 CE :: 41.8900 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.0830 HA :: 3.7390 HB2 :: 1.3370 HB3 :: 1.5730 HG2 :: 1.5290 HG3 :: 1.1690 HD2 :: 1.4770 HD3 :: 1.3770 HE2 :: 2.7590 HE3 :: 2.7590 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.7900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.3 L 0.15 F 0.07 Y 0.06 K 0.02 C Shift Assignments>> C :: 174.2800 CA :: 53.0500 CB :: 40.4100 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.9310 HA :: 4.7490 HB2 :: 2.6480 HB3 :: 2.7090 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.0600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T27 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 170.8500 CA :: 57.1300 CB :: 70.2000 CG2 :: 16.7600(S) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.6190 HA :: 5.5070 HB :: 4.1800 HG21 :: 1.2380 HG22 :: 1.2380 HG23 :: 1.2380 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.4300 Ave N Shift Values>> N :: 115.42(4.75) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.3300 CA :: 58.9130 CB :: 64.3600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7060 HA :: 4.7730 HB2 :: 4.1590 HB3 :: 4.0770 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.4500 Ave N Shift Values>> N :: 116.28(3.52) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.22 R 0.09 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.2100 CA :: 44.6430 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0110 HA2 :: 3.2920 HA3 :: 3.9680 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.3500 Ave N Shift Values>> N :: 109.67(3.87) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 E 0.29 Q 0.01 C Shift Assignments>> C :: 174.5000 CA :: 54.3200 CB :: 34.0300 CG :: 36.3900 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.8970 HA :: 4.8670 HB2 :: 2.3480 HG2 :: 2.3710 HG3 :: 2.1980 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.6200 Ave N Shift Values>> N :: 120.67(3.48) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 G 0.07 C Shift Assignments>> C :: 175.5500 CA :: 59.7400 CB :: 42.5200 CG1 :: 27.6500 CG2 :: 17.2600 CD1 :: 14.8000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.5460 HA :: 5.1710 HB :: 1.4460 HG12 :: 1.3890 HG13 :: 0.7340 HG21 :: 0.6700 HG22 :: 0.6700 HG23 :: 0.6700 HD11 :: 0.7350 HD12 :: 0.7350 HD13 :: 0.7350 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.6500 Ave N Shift Values>> N :: 121.46(4.28) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 R 0.11 K 0.06 C Shift Assignments>> C :: 173.7400 CA :: 55.2200 CB :: 34.7200 CG :: 28.9300 CD :: 44.2800 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.7510 HA :: 4.9510 HB2 :: 1.5310 HB3 :: 1.7590 HG2 :: 1.9520 HG3 :: 1.5890 HD2 :: 2.9600 HD3 :: 2.9600 HE :: 5.5840 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.6900 NE :: 84.4700 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V71 1.V71 C Shift Assignments>> C :: 173.7900 CA :: 59.7000 CB :: 34.8200 CG1 :: 22.2200 CG2 :: 21.7500 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.6170 HA :: 4.9720 HB :: 1.7230 HG11 :: 0.7880 HG12 :: 0.7880 HG13 :: 0.7880 HG21 :: 0.7820 HG22 :: 0.7820 HG23 :: 0.7820 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.7700 Ave N Shift Values>> N :: 121.14(4.54) 1.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.86 H 0.1 W 0.02 C Shift Assignments>> C :: 172.7900 CA :: 54.3700 CB :: 36.8400 CD2 :: 116.0700 CE1 :: 136.7300 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.5520 HA :: 5.7430 HB2 :: 2.7660 HB3 :: 2.5860 HD2 :: 6.4900 HE1 :: 7.3350 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.0000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.22 R 0.01 A 0.01 C Shift Assignments>> C :: 174.4900 CA :: 52.1900 CB :: 44.8800 CG :: 26.8900 CD1 :: 24.2700 CD2 :: 26.7500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0060 HA :: 4.8000 HB2 :: 0.7430 HB3 :: 1.3600 HG :: 1.3400 HD11 :: 0.5070 HD12 :: 0.5070 HD13 :: 0.5070 HD21 :: 0.6740 HD22 :: 0.6740 HD23 :: 0.6740 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.4000 Ave N Shift Values>> N :: 121.86(3.9) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 Q 0.22 K 0.02 E 0.01 HN Overlap>> 1.S39 1.S39 C Shift Assignments>> C :: 174.3500 CA :: 54.1300 CB :: 31.9600 CG :: 33.0900 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2350 HA :: 4.5730 HB2 :: 2.0140 HG2 :: 2.0980 HG3 :: 2.0660 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.1120 Ave N Shift Values>> N :: 120.67(3.48) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 R 0.09 G 0.01 C Shift Assignments>> C :: 175.2000 CA :: 61.4100 CB :: 33.0900 CG :: 25.6200 CD :: 29.3000 CE :: 41.5900 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.0550 HA :: 3.7310 HB2 :: 1.8300 HB3 :: 1.8300 HG2 :: 1.2640 HG3 :: 1.5060 HD2 :: 1.6420 HD3 :: 1.6420 HE2 :: 2.8870 HE3 :: 2.8870 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.2100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 A 0.02 C Shift Assignments>> C :: 171.4200 CA :: 59.5300 CB :: 69.5700 CG2 :: 19.5900 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.4800 HA :: 4.4480 HB :: 4.0520 HG21 :: 0.9370 HG22 :: 0.9370 HG23 :: 0.9370 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.3100 Ave N Shift Values>> N :: 115.42(4.75) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E36 1.E36 C Shift Assignments>> C :: 175.5900 CA :: 57.3400 CB :: 64.5600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1770 HA :: 4.6410 HB2 :: 3.7580 HB3 :: 3.8800 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.0500 Ave N Shift Values>> N :: 116.28(3.52) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 I 0.13 K 0.09 M 0.07 Q 0.05 C Shift Assignments>> C :: 176.5200 CA :: 58.1000 CB :: 29.9500 CG :: 36.5200 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.9050 HA :: 4.1180 HB2 :: 2.0620 HB3 :: 1.9560 HG2 :: 2.1380 HG3 :: 2.1380 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.6300 Ave N Shift Values>> N :: 120.67(3.48) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.3500 CA :: 59.4900 CB :: 40.1500 CG1 :: 25.3900 CG2 :: 17.5200 CD1 :: 13.8100 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.4460 HA :: 4.4600 HB :: 2.0520 HG12 :: 0.7960 HG13 :: 1.2280 HG21 :: 0.8080 HG22 :: 0.8080 HG23 :: 0.8080 HD11 :: 0.6400 HD12 :: 0.6400 HD13 :: 0.6400 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 113.2900 Ave N Shift Values>> N :: 121.46(4.28) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.22 D 0.15 K 0.15 F 0.07 Y 0.05 G 0.01 N 0.01 C Shift Assignments>> C :: 177.4300 CA :: 55.3600 CB :: 42.6900 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2710 HA :: 4.2800 HB2 :: 2.5790 HB3 :: 2.6280 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.2300 Ave N Shift Values>> N :: 120.65(3.86) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.7800 CA :: 65.4200 CB :: 31.3000 CG1 :: 20.2300 CG2 :: 21.1800 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1600 HA :: 3.5690 HB :: 1.9270 HG11 :: 0.7950 HG12 :: 0.7950 HG13 :: 0.7950 HG21 :: 0.8720 HG22 :: 0.8720 HG23 :: 0.8720 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.1500 Ave N Shift Values>> N :: 121.14(4.54) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 Y 0.43 C Shift Assignments>> C :: 177.1400 CA :: 62.1900 CB :: 38.3500 CD1 :: 131.3800 CD2 :: 131.3800 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.1010 HA :: 3.8920 HB2 :: 3.0160 HB3 :: 3.0160 HD1 :: 7.1970 HD2 :: 7.1970 HE1 :: 7.2000 HE2 :: 7.2000 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.7700 Ave N Shift Values>> N :: 120.45(4.18) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.24 E 0.14 I 0.09 N 0.07 D 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 178.3800 CA :: 57.0100 CB :: 37.9000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.3170 HA :: 4.1060 HB2 :: 2.5930 HB3 :: 2.5360 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.5400 Ave N Shift Values>> N :: 120.65(3.86) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 L 0.3 R 0.11 G 0.01 HN Overlap>> 1.F51 1.F51 C Shift Assignments>> C :: 176.7500 CA :: 57.1360 CB :: 28.5900 CG :: 24.9500 CD :: 42.2300 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2460 HA :: 3.7330 HB2 :: 1.4360 HB3 :: 1.4610 HG2 :: 1.4350 HD2 :: 3.0440 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.9200 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.32 I 0.03 HN Overlap>> 1.A125 1.A125 C Shift Assignments>> C :: 177.8100 CA :: 55.0100 CB :: 17.4000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8030 HA :: 3.0480 HB1 :: 0.8300 HB2 :: 0.8300 HB3 :: 0.8300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.9100 Ave N Shift Values>> N :: 123.23(3.54) 1.M48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.34 M 0.34 K 0.26 E 0.02 R 0.01 HN Overlap>> 1.K25 1.K25 C Shift Assignments>> C :: 177.7900 CA :: 58.9100 CB :: 32.7500 CG :: 30.6900 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.1480 HA :: 2.5680(S) HB2 :: 1.5590 HB3 :: 1.8260 HG2 :: 1.7390 HG3 :: 2.0970 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 115.8000 Ave N Shift Values>> N :: 120.09(3.57) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.29 D 0.12 L 0.12 I 0.06 K 0.03 N 0.02 C Shift Assignments>> C :: 178.9600 CA :: 57.3300 CB :: 40.1800 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.6560 HA :: 4.3260 HB2 :: 2.4840 HB3 :: 2.7220 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.1300 Ave N Shift Values>> N :: 120.65(3.86) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.6100 CA :: 66.9800 CB :: 30.4500 CG1 :: 21.6900 CG2 :: 20.6000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5060 HA :: 3.1500 HB :: 1.5950 HG11 :: 0.4770 HG12 :: 0.4770 HG13 :: 0.4770 HG21 :: 0.1250 HG22 :: 0.1250 HG23 :: 0.1250 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.0300 Ave N Shift Values>> N :: 121.14(4.54) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 F 0.48 HN Overlap>> 1.R46 1.R46 C Shift Assignments>> C :: 176.9900 CA :: 61.6100 CB :: 39.3500 CD1 :: 131.9700 CD2 :: 131.9700 CE1 :: 129.5500 CE2 :: 129.5500 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.2360 HA :: 3.7010 HB2 :: 2.6130 HB3 :: 2.8980 HD1 :: 6.5620 HD2 :: 6.5620 HE1 :: 6.7900 HE2 :: 6.7900 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.0100 Ave N Shift Values>> N :: 120.45(4.18) 1.H52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.63 H 0.36 C Shift Assignments>> C :: 179.3890 CA :: 59.6700 CB :: 28.3800 CD2 :: 121.2700 CE1 :: 135.9800 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.5950 HA :: 4.3220 HB2 :: 3.2140 HB3 :: 3.2680 HD2 :: 7.3200 HE1 :: 8.3290 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 114.4000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.23 N 0.15 E 0.11 D 0.07 I 0.06 M 0.03 L 0.03 C Shift Assignments>> C :: 177.5600 CA :: 56.2600 CB :: 38.0200 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.2160 HA :: 4.3460 HB2 :: 2.6900 HB3 :: 2.8400 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.3000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 L 0.44 G 0.05 R 0.02 C Shift Assignments>> C :: 175.7800 CA :: 54.4000 CB :: 42.8100 CG :: 25.9500 CD1 :: 25.1600 CD2 :: 20.8600 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2700 HA :: 4.1140 HB2 :: 1.3000 HB3 :: 1.4780 HG :: 1.6800 HD11 :: 0.6320 HD12 :: 0.6320 HD13 :: 0.6320 HD21 :: 0.7440 HD22 :: 0.7440 HD23 :: 0.7440 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.0700 Ave N Shift Values>> N :: 121.86(3.9) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 K 0.21 L 0.18 G 0.01 C Shift Assignments>> C :: 177.6500 CA :: 56.6300 CB :: 28.1100 CG :: 24.5500 CD :: 28.6500 CE :: 42.1900 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9530 HA :: 3.9540 HB2 :: 1.8430 HB3 :: 1.9260 HG2 :: 1.3060 HD2 :: 1.6760 HE2 :: 2.9440 HE3 :: 2.9440 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.5800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.4 Q 0.24 R 0.22 M 0.11 C Shift Assignments>> C :: 174.0100 CA :: 56.8000 CB :: 28.6200 CG :: 32.2700 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.4960 HA :: 3.6240 HB2 :: -0.5000(S) HB3 :: 1.1710 HG2 :: 2.0600 HG3 :: 2.0600 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.4600 Ave N Shift Values>> N :: 120.09(3.57) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.2 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 176.0600 CA :: 53.0300 CB :: 38.9400 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.9210 HA :: 4.4900 HB2 :: 2.6440 HB3 :: 3.0390 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.6100 Ave N Shift Values>> N :: 120.65(3.86) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.73 Y 0.05 D 0.05 M 0.04 E 0.04 F 0.04 C Shift Assignments>> C :: 174.0600 CA :: 52.1900 CB :: 37.2300 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.0700 HA :: 4.8850 HB2 :: 2.5210 HB3 :: 2.8970 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.8800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.8100 CA :: 59.6000 CB :: 70.9000 CG2 :: 20.8300 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.6360 HA :: 4.4490 HB :: 4.3940 HG1 :: 5.8490 HG21 :: 0.8900 HG22 :: 0.8900 HG23 :: 0.8900 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.5700 Ave N Shift Values>> N :: 115.42(4.75) 1.K60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.8 R 0.18 C Shift Assignments>> C :: 179.0300 CA :: 59.6000 CB :: 32.4800 CG :: 24.7500 CD :: 28.5500 CE :: 41.8700 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 10.3220(S) HA :: 3.9230 HB2 :: 1.7950 HB3 :: 1.7950 HG2 :: 1.4330 HG3 :: 1.2390 HD2 :: 1.6180 HD3 :: 1.6180 HE2 :: 2.8850 HE3 :: 2.8850 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.4000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 L 0.49 C Shift Assignments>> C :: 175.6600 CA :: 52.8300 CB :: 40.4700 CG :: 26.5800 CD1 :: 22.0800 CD2 :: 26.0100 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.5550 HA :: 4.4300 HB2 :: 1.2380 HB3 :: 1.5290 HG :: 1.5040 HD11 :: 0.8260 HD12 :: 0.8260 HD13 :: 0.8260 HD21 :: 0.9460 HD22 :: 0.9460 HD23 :: 0.9460 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.7800 Ave N Shift Values>> N :: 121.86(3.9) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.32 R 0.13 E 0.13 I 0.04 C Shift Assignments>> C :: 175.0600 CA :: 56.4400 CB :: 26.4800 CG :: 34.8300 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.5260 HA :: 3.7150 HB2 :: 1.8310 HB3 :: 2.2040 HG2 :: 2.0470 HG3 :: 2.4300 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.4900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.28 M 0.27 P 0.17 Q 0.09 K 0.06 E 0.03 H 0.02 Y 0.01 R 0.01 C Shift Assignments>> C :: 173.7900 CA :: 50.6800 CB :: 35.1100 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.2430 HA :: 4.3520 HB2 :: 0.9600(S) HB3 :: 1.7670 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.7600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.3 R 0.24 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.6500 CA :: 44.1360 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6180 HA2 :: 4.8390 HA3 :: 3.2890 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.8200 Ave N Shift Values>> N :: 109.67(3.87) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.6100 CA :: 60.8900 CB :: 35.5700 CG1 :: 20.9200 CG2 :: 22.8300 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.0530 HA :: 4.8140 HB :: 1.9330 HG11 :: 0.6100 HG12 :: 0.6100 HG13 :: 0.6100 HG21 :: 0.9190 HG22 :: 0.9190 HG23 :: 0.9190 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.4900 Ave N Shift Values>> N :: 121.14(4.54) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 A 0.46 C Shift Assignments>> C :: 175.1200 CA :: 51.8700 CB :: 47.5200 CG :: 27.2200 CD1 :: 22.8140 CD2 :: 28.6500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.2450 HA :: 5.0970 HB2 :: 1.5380 HB3 :: 2.1200 HG :: 1.8880 HD11 :: 0.7930 HD12 :: 0.7930 HD13 :: 0.7930 HD21 :: 0.8710 HD22 :: 0.8710 HD23 :: 0.8710 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.7400 Ave N Shift Values>> N :: 121.86(3.9) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.2900 CA :: 61.0900 CB :: 37.4800 CG1 :: 27.1200 CG2 :: 16.2000 CD1 :: 12.7400 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.9740 HA :: 4.4840 HB :: 1.7130 HG12 :: 1.4000 HG13 :: 0.5530 HG21 :: 0.4700 HG22 :: 0.4700 HG23 :: 0.4700 HD11 :: 0.4210 HD12 :: 0.4210 HD13 :: 0.4210 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.0300 Ave N Shift Values>> N :: 121.46(4.28) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.1400 CA :: 56.9900 CB :: 40.7900 CD1 :: 131.0200 CD2 :: 131.0200 CE1 :: 116.9300 CE2 :: 116.9300 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.9990 HA :: 4.8870 HB2 :: 2.5570 HB3 :: 2.8420 HD1 :: 6.5780 HD2 :: 6.5780 HE1 :: 6.3820 HE2 :: 6.3820 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 129.4000 Ave N Shift Values>> N :: 120.52(4.2) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.3500 CA :: 60.8100 CB :: 34.3600 CG1 :: 21.1300 CG2 :: 21.1800 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.3780 HA :: 4.4010 HB :: 1.8860 HG11 :: 0.7990 HG12 :: 0.7990 HG13 :: 0.7990 HG21 :: 0.6500 HG22 :: 0.6500 HG23 :: 0.6500 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.7900 Ave N Shift Values>> N :: 121.14(4.54) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 G 0.03 C Shift Assignments>> C :: 177.6200 CA :: 49.2100 CB :: 17.4700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0780 HA :: 4.5920 HB1 :: 1.3300 HB2 :: 1.3300 HB3 :: 1.3300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.7700 Ave N Shift Values>> N :: 123.23(3.54) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V33 1.V33 C Shift Assignments>> C :: 178.3100 CA :: 66.0300 CB :: 32.1100 CG1 :: 20.6200 CG2 :: 21.3400 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5970 HA :: 2.8470 HB :: 1.2050 HG11 :: 0.0740 HG12 :: 0.0740 HG13 :: 0.0740 HG21 :: 0.0760 HG22 :: 0.0760 HG23 :: 0.0760 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.8800 Ave N Shift Values>> N :: 121.14(4.54) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.37 K 0.08 Q 0.02 C Shift Assignments>> C :: 177.6500 CA :: 59.2600 CB :: 28.9400 CG :: 36.6600 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.1070 HA :: 3.9550 HB2 :: 1.8860 HB3 :: 1.8820 HG2 :: 2.1200 HG3 :: 2.1200 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.3500 Ave N Shift Values>> N :: 120.67(3.48) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.24 K 0.12 N 0.1 F 0.08 Y 0.06 R 0.02 C Shift Assignments>> C :: 175.4600 CA :: 54.0300 CB :: 41.3500 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.0390 HA :: 4.5440 HB2 :: 2.6150 HB3 :: 2.7400 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.2500 Ave N Shift Values>> N :: 120.65(3.86) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.4 L 0.03 G 0.01 C Shift Assignments>> C :: 174.9200 CA :: 57.1800 CB :: 29.1000 CG :: 24.7900 CD :: 28.9200 CE :: 42.1200 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0120 HA :: 3.5020 HB2 :: 1.8720 HB3 :: 2.1700 HG2 :: 1.2390 HG3 :: 1.2390 HD2 :: 1.6130 HD3 :: 1.3950 HE2 :: 2.8480 HE3 :: 2.8480 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.8500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.1500 CA :: 60.7400 CB :: 70.9000 CG2 :: 21.7200 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.7630 HA :: 4.7250 HB :: 4.0250 HG21 :: 1.1350 HG22 :: 1.1350 HG23 :: 1.1350 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.7100 Ave N Shift Values>> N :: 115.42(4.75) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 Y 0.31 G 0.06 C Shift Assignments>> C :: 173.2500 CA :: 54.9200 CB :: 42.7800 CD1 :: 131.3800 CD2 :: 131.3800 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.9920 HA :: 5.9680 HB2 :: 3.0150 HB3 :: 2.8960 HD1 :: 6.7630 HD2 :: 6.7630 HE1 :: 6.9500 HE2 :: 6.9500 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.2200 Ave N Shift Values>> N :: 120.45(4.18) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 L 0.01 C Shift Assignments>> C :: 173.3100 CA :: 60.8400 CB :: 37.4100 CG1 :: 21.7500 CG2 :: 21.8550 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.4470 HA :: 4.0150 HB :: 1.7090 HG11 :: 0.7240 HG12 :: 0.7240 HG13 :: 0.7240 HG21 :: 0.6160 HG22 :: 0.6160 HG23 :: 0.6160 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.0300 Ave N Shift Values>> N :: 121.14(4.54) 1.I78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.0900 CA :: 60.0810 CB :: 38.3400 CG1 :: 27.4100 CG2 :: 15.5500 CD1 :: 14.8190 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.1550 HA :: 4.4330 HB :: 1.0020 HG12 :: 0.5810 HG21 :: -0.7280(S) HG22 :: -0.7280(S) HG23 :: -0.7280(S) HD11 :: 0.5940 HD12 :: 0.5940 HD13 :: 0.5940 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.2400 Ave N Shift Values>> N :: 121.46(4.28) 1.Y79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.7400 CA :: 57.3900 CB :: 40.8200 CD1 :: 132.0600 CD2 :: 132.0600 CE1 :: 116.7000 CE2 :: 116.7000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.3280 HA :: 4.4220 HB2 :: 2.1580 HB3 :: 2.7650 HD1 :: 6.2700 HD2 :: 6.2700 HE1 :: 5.7650(S) HE2 :: 5.7650(S) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 130.1300 Ave N Shift Values>> N :: 120.52(4.2) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.31 K 0.1 D 0.09 F 0.07 Y 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 171.0900 CA :: 42.8600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8370 HA2 :: 3.3400 HA3 :: 4.8960 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.1400 Ave N Shift Values>> N :: 109.67(3.87) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.23 L 0.2 K 0.05 F 0.05 Y 0.03 R 0.01 C Shift Assignments>> C :: 176.9800 CA :: 51.9500 CB :: 41.2600 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.6330 HA :: 4.2480 HB2 :: 2.8410 HB3 :: 3.1080 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.6600 Ave N Shift Values>> N :: 120.65(3.86) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 R 0.08 G 0.01 C Shift Assignments>> C :: 176.3500 CA :: 59.2900 CB :: 33.7200 CG :: 24.1600 CD :: 29.0300 CE :: 41.9400 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.2120 HA :: 3.7640 HB2 :: 1.6140 HB3 :: 1.7940 HG2 :: 1.3900 HG3 :: 1.3900 HD2 :: 1.6230 HD3 :: 1.6230 HE2 :: 2.9980 HE3 :: 2.9980 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.4700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 176.5400 CA :: 46.2600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3670 HA2 :: 3.7990 HA3 :: 3.8160 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.2600 Ave N Shift Values>> N :: 109.67(3.87) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.0100 CA :: 63.6360 CB :: 38.8200 CG1 :: 29.2000 CG2 :: 17.7100 CD1 :: 15.3700 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.0400 HA :: 3.6440 HB :: 1.8630 HG12 :: 0.6150 HG13 :: 1.2200 HG21 :: 0.5720 HG22 :: 0.5720 HG23 :: 0.5720 HD11 :: 0.7680 HD12 :: 0.7680 HD13 :: 0.7680 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.5100 Ave N Shift Values>> N :: 121.46(4.28) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 N 0.2 F 0.19 E 0.15 D 0.06 M 0.05 I 0.04 L 0.02 C Shift Assignments>> C :: 176.6000 CA :: 55.8400 CB :: 37.7200 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.3510 HA :: 4.1150 HB2 :: 2.5170 HB3 :: 2.7500 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.4000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 D 0.19 K 0.18 F 0.18 Y 0.14 N 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 177.2400 CA :: 56.2600 CB :: 41.2000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.3770 HA :: 4.3910 HB2 :: 2.5710 HB3 :: 2.6060 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.8900 Ave N Shift Values>> N :: 120.65(3.86) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.7800 CA :: 61.3200 CB :: 34.1700 CG1 :: 18.5900 CG2 :: 21.1400 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.1960 HA :: 4.4730 HB :: 1.9460 HG11 :: 0.6330 HG12 :: 0.6330 HG13 :: 0.6330 HG21 :: 0.6950 HG22 :: 0.6950 HG23 :: 0.6950 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 109.6400 Ave N Shift Values>> N :: 121.14(4.54) 1.V88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.81 V 0.13 A 0.04 C Shift Assignments>> C :: 175.7600 CA :: 60.6400 CB :: 32.9700 CG1 :: 16.3300(S) CG2 :: 19.2000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.9210 HA :: 3.7890 HB :: 1.4400 HG11 :: 0.2550 HG12 :: 0.2550 HG13 :: 0.2550 HG21 :: -0.8800(S) HG22 :: -0.8800(S) HG23 :: -0.8800(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.2000 Ave N Shift Values>> N :: 121.14(4.54) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.7200 CA :: 57.3300 CB :: 64.5000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7380 HA :: 4.5460 HB2 :: 3.9850 HB3 :: 4.1050 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.4600 Ave N Shift Values>> N :: 116.28(3.52) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 L 0.16 D 0.15 K 0.08 I 0.04 N 0.03 C Shift Assignments>> C :: 176.6300 CA :: 57.0500 CB :: 40.5400 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.6870 HA :: 4.3610 HB2 :: 2.6870 HB3 :: 2.6870 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.2500 Ave N Shift Values>> N :: 120.65(3.86) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.35 L 0.13 F 0.07 Y 0.05 K 0.01 C Shift Assignments>> C :: 177.6100 CA :: 52.8900 CB :: 40.2300 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2500 HA :: 4.6050 HB2 :: 2.5070 HB3 :: 3.0490 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.8000 Ave N Shift Values>> N :: 120.65(3.86) 1.F92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.81 Y 0.18 C Shift Assignments>> C :: 177.0400 CA :: 61.9100 CB :: 40.6960 CD1 :: 130.6400 CD2 :: 130.6400 CE1 :: 130.2400 CE2 :: 130.2400 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.5640 HA :: 3.8570 HB2 :: 3.3790 HB3 :: 2.2920 HD1 :: 5.9180(S) HD2 :: 5.9180(S) HE1 :: 6.2090 HE2 :: 6.2090 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.1300 Ave N Shift Values>> N :: 120.45(4.18) 1.W93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.4200 CA :: 56.0200 CB :: 29.9900 CD1 :: 127.1300 CE3 :: 120.6400 CZ2 :: 113.0300 CZ3 :: 119.8400 CH2 :: 122.9800 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.5320 HA :: 4.7260 HB2 :: 3.5660 HB3 :: 3.1520 HD1 :: 7.3230 HE1 :: 10.5570 HE3 :: 7.3890 HZ2 :: 7.1610 HZ3 :: 6.9070 HH2 :: 7.0480 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 113.9800 NE1 :: 128.7500 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 F 0.33 I 0.24 L 0.02 D 0.02 E 0.01 C Shift Assignments>> C :: 178.5500 CA :: 59.1200 CB :: 39.1400 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9040 HA :: 4.2280 HB2 :: 2.5660 HB3 :: 2.8670 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.1200 Ave N Shift Values>> N :: 120.65(3.86) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.6300 CA :: 65.5600 CB :: 68.2300 CG2 :: 22.6400 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.5590 HA :: 4.0040 HB :: 4.1200 HG21 :: 1.2500 HG22 :: 1.2500 HG23 :: 1.2500 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.2000 Ave N Shift Values>> N :: 115.42(4.75) 1.T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.W130 1.W130 C Shift Assignments>> C :: 175.4100 CA :: 68.2860 CB :: 68.2000 CG2 :: 20.6200 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.9910 HA :: 3.7250 HB :: 4.3940 HG1 :: 5.3530 HG21 :: 1.1440 HG22 :: 1.1440 HG23 :: 1.1440 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.2300 Ave N Shift Values>> N :: 115.42(4.75) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 K 0.22 G 0.1 C Shift Assignments>> C :: 178.3200 CA :: 60.3900 CB :: 29.8700 CG :: 28.4600 CD :: 42.8900 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.8250 HA :: 3.8290 HB2 :: 1.9790 HB3 :: 1.9790 HG2 :: 1.6020 HD2 :: 3.2320 HE :: 8.7870 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.9600 NE :: 86.5300 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.23 N 0.18 D 0.09 E 0.07 I 0.05 L 0.04 M 0.02 C Shift Assignments>> C :: 176.6200 CA :: 56.0500 CB :: 38.2200 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.5080 HA :: 4.3900 HB2 :: 2.8000 HB3 :: 2.6690 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.6800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.46 I 0.02 C Shift Assignments>> C :: 179.8000 CA :: 54.7700 CB :: 18.1100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4470 HA :: 4.0200 HB1 :: 1.3730 HB2 :: 1.3730 HB3 :: 1.3730 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.8300 Ave N Shift Values>> N :: 123.23(3.54) 1.I100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.0500 CA :: 64.5500 CB :: 37.6400 CG1 :: 27.8900 CG2 :: 15.5200 CD1 :: 12.8300 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.3390 HA :: 3.2030 HB :: 0.8760 HG12 :: 1.5830 HG13 :: 0.5400 HG21 :: -1.3270(S) HG22 :: -1.3270(S) HG23 :: -1.3270(S) HD11 :: 0.0840 HD12 :: 0.0840 HD13 :: 0.0840 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.2400 Ave N Shift Values>> N :: 121.46(4.28) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 Q 0.35 R 0.09 M 0.05 E 0.04 I 0.02 C Shift Assignments>> C :: 177.8700 CA :: 59.2000 CB :: 28.8600 CG :: 33.3400 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.3590 HA :: 3.9170 HB2 :: 2.1510 HB3 :: 2.3500 HG2 :: 2.5240 HG3 :: 2.5240 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.7500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.03 G 0.02 C Shift Assignments>> C :: 179.5500 CA :: 58.1900 CB :: 42.3200 CG :: 26.7800 CD1 :: 24.5700 CD2 :: 24.0500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1190 HA :: 3.9510 HB2 :: 1.5140 HB3 :: 1.7460 HG :: 1.6490 HD11 :: 0.8090 HD12 :: 0.8090 HD13 :: 0.8090 HD21 :: 0.8170 HD22 :: 0.8170 HD23 :: 0.8170 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.7900 Ave N Shift Values>> N :: 121.86(3.9) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.26 M 0.05 Q 0.05 C Shift Assignments>> C :: 179.6800 CA :: 56.5500 CB :: 27.4800 CG :: 31.0600 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 6.6360 HA :: 4.4260 HB2 :: 1.5980 HB3 :: 2.7350 HG2 :: 1.9740 HG3 :: 2.5820 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.6500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 F 0.22 W 0.09 H 0.01 C Shift Assignments>> C :: 180.1300 CA :: 59.7600 CB :: 36.6200 CD1 :: 129.1500 CD2 :: 129.1500 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.1610 HA :: 3.8950 HB2 :: 3.1400 HB3 :: 3.4020 HD1 :: 7.0860 HD2 :: 7.0860 HE1 :: 7.1000 HE2 :: 7.1000 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.7400 Ave N Shift Values>> N :: 120.45(4.18) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.17 C Shift Assignments>> C :: 177.2900 CA :: 58.9130 CB :: 31.9200 CG :: 24.8600 CD :: 29.1600 CE :: 41.9200 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5190 HA :: 4.1260 HB2 :: 1.8740 HB3 :: 1.9710 HG2 :: 1.5460 HG3 :: 1.5460 HD2 :: 1.6390 HD3 :: 1.6390 HE2 :: 2.9490 HE3 :: 2.9490 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.2800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 K 0.26 M 0.19 E 0.09 R 0.01 C Shift Assignments>> C :: 175.4500 CA :: 54.8500 CB :: 30.0100 CG :: 33.9300 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 6.9340 HA :: 4.4150 HB2 :: 1.9760 HB3 :: 2.2990 HG2 :: 2.4310 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.5300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.16 R 0.04 F 0.01 D 0.01 C Shift Assignments>> C :: 173.1400 CA :: 44.9300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7220 HA2 :: 3.2150 HA3 :: 3.9980 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.8000 Ave N Shift Values>> N :: 109.67(3.87) 1.N108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.84 M 0.03 D 0.03 Y 0.02 F 0.02 E 0.01 C Shift Assignments>> C :: 174.8200 CA :: 50.5200 CB :: 37.0900 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.6540 HA :: 4.8270 HB2 :: 2.7540 HB3 :: 3.0020 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.2300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 Y 0.22 C Shift Assignments>> C :: 177.2700 CA :: 60.6700 CB :: 38.2200 CD1 :: 130.5700 CD2 :: 130.5700 CE1 :: 130.1600 CE2 :: 130.1600 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.2310 HA :: 4.0380 HB2 :: 2.5330 HB3 :: 2.5330 HD1 :: 6.3670 HD2 :: 6.3670 HE1 :: 6.8740 HE2 :: 6.8740 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.1300 Ave N Shift Values>> N :: 120.45(4.18) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.33 G 0.01 L 0.01 C Shift Assignments>> C :: 177.6800 CA :: 60.0500 CB :: 29.6800 CG :: 22.6200 CD :: 29.2000 CE :: 41.2300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.7270 HA :: 3.6100 HB2 :: 1.7330 HB3 :: 1.7850 HG2 :: 1.1290 HG3 :: 1.5050 HD2 :: 1.5120 HD3 :: 1.4710 HE2 :: 3.0580 HE3 :: 3.0580 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.6700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.37 R 0.13 M 0.05 E 0.04 I 0.01 C Shift Assignments>> C :: 177.6400 CA :: 57.5300 CB :: 28.4600 CG :: 33.3700 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.4420 HA :: 3.4910 HB2 :: 1.5840 HB3 :: 1.9770 HG2 :: 2.3970 HG3 :: 2.2020 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.9800 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.65 A 0.15 G 0.07 N 0.06 D 0.02 C Shift Assignments>> C :: 173.9700 CA :: 48.7300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1960 HA2 :: 3.6410 HA3 :: 3.6410 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.7400 Ave N Shift Values>> N :: 109.67(3.87) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.12 G 0.01 C Shift Assignments>> C :: 177.4800 CA :: 58.1500 CB :: 41.9200 CG :: 26.9700 CD1 :: 26.0100 CD2 :: 22.7200 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6140 HA :: 3.8680 HB2 :: 1.0320 HB3 :: 1.9900 HG :: 1.8460 HD11 :: 0.7650 HD12 :: 0.7650 HD13 :: 0.7650 HD21 :: 0.6420 HD22 :: 0.6420 HD23 :: 0.6420 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.6400 Ave N Shift Values>> N :: 121.86(3.9) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.3300 CA :: 67.7870 CB :: 31.6000 CG1 :: 21.1600 CG2 :: 23.0000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.2840 HA :: 3.2690 HB :: 1.8920 HG11 :: 0.8380 HG12 :: 0.8380 HG13 :: 0.8380 HG21 :: 0.8260 HG22 :: 0.8260 HG23 :: 0.8260 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.5100 Ave N Shift Values>> N :: 121.14(4.54) 1.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 D 0.14 L 0.11 I 0.06 N 0.05 K 0.01 C Shift Assignments>> C :: 179.8400 CA :: 56.9500 CB :: 39.8400 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.7240 HA :: 4.2610 HB2 :: 2.5570 HB3 :: 2.4410 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.4400 Ave N Shift Values>> N :: 120.65(3.86) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 C Shift Assignments>> C :: 174.1300 CA :: 47.1900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3700 HA2 :: 3.6330 HA3 :: 3.4220 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.2800 Ave N Shift Values>> N :: 109.67(3.87) 1.I117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E5 1.E5 C Shift Assignments>> C :: 176.7500 CA :: 66.1680 CB :: 37.7600 CG1 :: 31.3900 CG2 :: 17.9500 CD1 :: 14.8500 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.5730 HA :: 3.3070 HB :: 1.7290 HG12 :: 0.4870 HG13 :: 1.6560 HG21 :: 0.6500 HG22 :: 0.6500 HG23 :: 0.6500 HD11 :: 0.6380 HD12 :: 0.6380 HD13 :: 0.6380 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.3500 Ave N Shift Values>> N :: 121.46(4.28) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.32 K 0.09 Q 0.03 M 0.01 C Shift Assignments>> C :: 180.6000 CA :: 59.4720 CB :: 29.3100 CG :: 36.4900 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.9980 HA :: 4.0030 HB2 :: 2.1800 HB3 :: 2.0680 HG2 :: 2.0900 HG3 :: 2.0900 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.2200 Ave N Shift Values>> N :: 120.67(3.48) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 C Shift Assignments>> C :: 179.0400 CA :: 58.0900 CB :: 31.3400 CG :: 24.5400 CD :: 29.0500 CE :: 41.5500 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.8460 HA :: 3.8970 HB2 :: 1.7540 HB3 :: 2.0630 HG2 :: 1.3940 HD2 :: 1.6460 HD3 :: 1.6460 HE2 :: 2.9550 HE3 :: 2.9550 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.2700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.31 I 0.03 C Shift Assignments>> C :: 180.2300 CA :: 55.0400 CB :: 17.3800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0920 HA :: 4.1950 HB1 :: 1.5780 HB2 :: 1.5780 HB3 :: 1.5780 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.2800 Ave N Shift Values>> N :: 123.23(3.54) 1.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 P 0.05 A 0.04 L 0.04 N 0.01 C Shift Assignments>> C :: 174.9300 CA :: 47.5900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6060 HA2 :: 3.6470 HA3 :: 4.0600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.1300 Ave N Shift Values>> N :: 109.67(3.87) 1.M122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 Q 0.16 K 0.02 C Shift Assignments>> C :: 178.5000 CA :: 57.4700 CB :: 32.2000 CG :: 32.1800 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.2840 HA :: 4.1830 HB2 :: 2.0180 HG2 :: 2.5530 HG3 :: 2.6960 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.0000 Ave N Shift Values>> N :: 120.09(3.57) 1.A123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.38 I 0.02 C Shift Assignments>> C :: 180.8800 CA :: 54.7600 CB :: 17.5900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3080 HA :: 4.0760 HB1 :: 0.9470 HB2 :: 0.9470 HB3 :: 0.9470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.0600 Ave N Shift Values>> N :: 123.23(3.54) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.25 G 0.06 C Shift Assignments>> C :: 179.1700 CA :: 57.8400 CB :: 42.9200 CG :: 27.1600 CD1 :: 23.8400 CD2 :: 25.9400 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.8710 HA :: 4.2700 HB2 :: 2.1850 HB3 :: 2.0710 HD11 :: 1.0400 HD12 :: 1.0400 HD13 :: 1.0400 HD21 :: 1.0050 HD22 :: 1.0050 HD23 :: 1.0050 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.0600 Ave N Shift Values>> N :: 121.86(3.9) 1.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.37 I 0.02 V 0.01 L 0.01 HN Overlap>> 1.A47 1.A47 C Shift Assignments>> C :: 177.7400 CA :: 55.2200 CB :: 19.1800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8290 HA :: 3.9560 HB1 :: 1.5640 HB2 :: 1.5640 HB3 :: 1.5640 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.9500 Ave N Shift Values>> N :: 123.23(3.54) 1.K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.19 C Shift Assignments>> C :: 176.5500 CA :: 58.4900 CB :: 32.6200 CG :: 24.4700 CD :: 28.9300 CE :: 41.9900 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.9710 HA :: 3.7980 HB2 :: 1.5080 HB3 :: 1.8190 HG2 :: 0.7590 HG3 :: 1.2180 HD2 :: 1.4980 HD3 :: 1.4980 HE2 :: 2.7940 HE3 :: 2.7940 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.3200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 C Shift Assignments>> C :: 174.3900 CA :: 58.7700 CB :: 41.9300 CD1 :: 132.4300 CD2 :: 132.4300 CE1 :: 117.6700 CE2 :: 117.6700 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.8170 HA :: 4.0670 HB2 :: 2.0870 HB3 :: 2.2770 HD1 :: 6.8530 HD2 :: 6.8530 HE1 :: 6.7890 HE2 :: 6.7890 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 113.8500 Ave N Shift Values>> N :: 120.52(4.2) 1.F128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.47 C Shift Assignments>> C :: 172.4500 CA :: 55.0030 CB :: 38.5500 CD1 :: 131.8200 CD2 :: 131.8200 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.6880 HA :: 4.9070 HB2 :: 2.5750 HB3 :: 3.3950 HD1 :: 7.1620 HD2 :: 7.1620 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.1300 Ave N Shift Values>> N :: 120.45(4.18) 1.P129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.7200 CA :: 63.3820 CB :: 31.8100 CG :: 27.2800 CD :: 50.3900 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.6800 HB2 :: 1.9270 HB3 :: 2.4300 HG2 :: 1.8830 HG3 :: 2.0000 HD2 :: 3.1980 HD3 :: 3.5590 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.W130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.T96 1.T96 C Shift Assignments>> C :: 175.3100 CA :: 59.5100 CB :: 29.3000 CD1 :: 127.3400 CE3 :: 119.3700 CZ2 :: 113.5810 CZ3 :: 120.5100 CH2 :: 122.9000 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.9100 HA :: 4.0310 HB2 :: 2.4480 HB3 :: 2.8500 HD1 :: 7.3370 HE1 :: 9.5490 HE3 :: 7.1490 HZ2 :: 7.3880 HZ3 :: 6.8670 HH2 :: 7.0900 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.1700 NE1 :: 128.7700 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.05 A 0.05 G 0.03 C Shift Assignments>> C :: 174.4500 CA :: 53.2400 CB :: 35.2500 CG :: 24.0500 CD :: 28.5800 CE :: 42.0600 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0970 HA :: 4.2600 HB2 :: 1.4050 HB3 :: 1.5560 HG2 :: 1.2220 HG3 :: 1.3310 HD2 :: 1.5170 HD3 :: 1.5530 HE2 :: 2.8510 HE3 :: 2.8510 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.0600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 C Shift Assignments>> C :: 176.5500 CA :: 58.1400 CB :: 31.8800 CG :: 24.4500 CD :: 29.2900 CE :: 41.8400 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.7610 HA :: 3.3980 HB2 :: 1.6490 HB3 :: 1.6490 HG2 :: 1.3940 HD2 :: 1.6460 HD3 :: 1.6460 HE2 :: 2.9660 HE3 :: 2.9660 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.2500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.17 F 0.06 Y 0.05 L 0.04 C Shift Assignments>> C :: 175.3200 CA :: 52.5200 CB :: 38.7200 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.6330 HA :: 4.3510 HB2 :: 2.3560 HB3 :: 2.7650 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.6000 Ave N Shift Values>> N :: 120.65(3.86) 1.D134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.26 K 0.16 D 0.1 F 0.1 Y 0.06 G 0.01 C Shift Assignments>> C :: 175.5000 CA :: 56.4100 CB :: 42.7400 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.2510 HA :: 3.9890 HB2 :: 2.1190 HB3 :: 2.6860 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.1400 Ave N Shift Values>> N :: 120.65(3.86) 1.I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 176.3000 CA :: 58.6400 CB :: 40.8000 CG1 :: 26.9000 CG2 :: 17.2300 CD1 :: 12.6700 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.3510 HA :: 4.3010 HB :: 1.5920 HG12 :: 1.0770 HG13 :: 1.4060 HG21 :: 0.6940 HG22 :: 0.6940 HG23 :: 0.6940 HD11 :: 0.7550 HD12 :: 0.7550 HD13 :: 0.7550 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.2300 Ave N Shift Values>> N :: 121.46(4.28) 1.D136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.12 Y 0.06 F 0.05 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 176.1500 CA :: 52.5600 CB :: 38.1800 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.0360 HA :: 5.6400 HB2 :: 2.8690 HB3 :: 2.4890 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 131.6700 Ave N Shift Values>> N :: 120.65(3.86) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.35 I 0.02 Q 0.01 C Shift Assignments>> C :: 176.1100 CA :: 59.4900 CB :: 32.8800 CG :: 36.4900 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.4350 HA :: 3.7350 HB2 :: 1.5890 HB3 :: 2.1480 HG2 :: 2.3230 HG3 :: 2.2600 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.2700 Ave N Shift Values>> N :: 120.67(3.48) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 A 0.38 G 0.01 HN Overlap>> 1.G145 1.G145 C Shift Assignments>> C :: 173.5600 CA :: 50.3100 CB :: 41.3500 CG :: 26.5500 CD1 :: 26.4300 CD2 :: 22.2500 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3080 HA :: 4.9600 HB2 :: 2.1790 HD11 :: 0.7390 HD12 :: 0.7390 HD13 :: 0.7390 HD21 :: 0.7370 HD22 :: 0.7370 HD23 :: 0.7370 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.2100 Ave N Shift Values>> N :: 121.86(3.9) 1.P139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.7000 CA :: 62.5500 CB :: 32.5200 CG :: 27.2000 CD :: 50.6600 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.3350 HB2 :: 1.6450 HB3 :: 2.3800 HG2 :: 1.8840 HG3 :: 1.9770 HD2 :: 3.4200 HD3 :: 3.8790 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.15 Y 0.06 F 0.06 L 0.03 M 0.01 C Shift Assignments>> C :: 174.4600 CA :: 52.7900 CB :: 38.5200 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.2130 HA :: 4.7300 HB2 :: 2.6820 HB3 :: 2.9010 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.9300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.4100 CA :: 61.5600 CB :: 69.4500 CG2 :: 22.3100 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.0030 HA :: 3.8530 HB :: 3.9800 HG21 :: 1.2270 HG22 :: 1.2270 HG23 :: 1.2270 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.7300 Ave N Shift Values>> N :: 115.42(4.75) 1.I142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.0200 CA :: 62.1500 CB :: 37.8900 CG1 :: 28.0700 CG2 :: 17.2400 CD1 :: 13.0000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.0300 HA :: 3.9760 HB :: 1.6660 HG12 :: 1.0470 HG13 :: 1.5180 HG21 :: 0.6440 HG22 :: 0.6440 HG23 :: 0.6440 HD11 :: 0.7640 HD12 :: 0.7640 HD13 :: 0.7640 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 129.5300 Ave N Shift Values>> N :: 121.46(4.28) 1.S143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.9200 CA :: 57.1200 CB :: 60.7100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7090 HA :: 4.4810 HB2 :: 3.5150 HB3 :: 4.0080 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 124.6300 Ave N Shift Values>> N :: 116.28(3.52) 1.K144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.32 G 0.01 C Shift Assignments>> C :: 175.9100 CA :: 54.5800 CB :: 35.1700 CG :: 25.7100 CD :: 29.5600 CE :: 41.8800 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0430 HA :: 4.9540 HB2 :: 1.5760 HB3 :: 1.8060 HG2 :: 1.2080 HG3 :: 1.2290 HD2 :: 1.5400 HD3 :: 1.6070 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.1700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 HN Overlap>> 1.L138 1.L138 C Shift Assignments>> C :: 178.3400 CA :: 45.5500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3260 HA2 :: 3.6510 HA3 :: 4.1760 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.2800 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 134 #Clerical: 0 #Suspicious: 10 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 142 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 145 #Suspicious: 0 C Shift Results: #Consistent: 636 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 969 #Duplicate: 0 #Unknown: 0 #Suspicious: 18 #Anomalous: 0 N Shift Results: #Consistent: 145 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E24 HB2 = 2.8160(S), Expected = 2.02, Std = 0.2100, ChiSquare = 1.5036e-04 1.T27 Typing: Mistyped 1.T27 CG2 = 16.7600(S), Expected = 21.55, Std = 1.1100, ChiSquare = 1.5938e-05 1.M48 HA = 2.5680(S), Expected = 4.41, Std = 0.4800, ChiSquare = 1.2429e-04 1.M56 HB2 = -0.5000(S), Expected = 2.03, Std = 0.3400, ChiSquare = 9.9793e-14 1.K60 H = 10.3220(S), Expected = 8.19, Std = 0.6000, ChiSquare = 3.8038e-04 1.N63 HB2 = 0.9600(S), Expected = 2.81, Std = 0.3100, ChiSquare = 2.4056e-09 1.I78 HG21 = -0.7280(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.8871e-08 1.I78 HG22 = -0.7280(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.8871e-08 1.I78 HG23 = -0.7280(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.8871e-08 1.Y79 HE1 = 5.7650(S), Expected = 6.70, Std = 0.2300, ChiSquare = 4.7988e-05 1.Y79 HE2 = 5.7650(S), Expected = 6.71, Std = 0.2300, ChiSquare = 3.9790e-05 1.V88 CG1 = 16.3300(S), Expected = 21.49, Std = 1.3600, ChiSquare = 1.4817e-04 1.V88 HG21 = -0.8800(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9732e-09 1.V88 HG22 = -0.8800(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9732e-09 1.V88 HG23 = -0.8800(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9732e-09 1.F92 HD1 = 5.9180(S), Expected = 7.06, Std = 0.3100, ChiSquare = 2.2972e-04 1.F92 HD2 = 5.9180(S), Expected = 7.06, Std = 0.3100, ChiSquare = 2.2972e-04 1.I100 HG21 = -1.3270(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.0579e-15 1.I100 HG22 = -1.3270(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.0579e-15 1.I100 HG23 = -1.3270(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.0579e-15