Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.F1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.44 F 0.27 C 0.25 G 0.02 C Shift Assignments>> CA :: 58.3600 CB :: 42.4100 CD1 :: 132.9000 CD2 :: 132.9000 CE1 :: 129.5000 CE2 :: 129.5000 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> HA :: 3.7300 HB2 :: 2.9700 HB3 :: 2.8600 HD1 :: 7.0500 HD2 :: 7.0500 HE1 :: 7.1300 HE2 :: 7.1300 HZ :: 7.0800 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) 1.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.71 C 0.28 C Shift Assignments>> CA :: 62.00 CB :: 32.8100 CG1 :: 21.0900 CG2 :: 20.5800 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> HA :: 3.9600 HB :: 1.840 HG11 :: 0.7500 HG12 :: 0.7500 HG13 :: 0.7500 HG21 :: 0.7480 HG22 :: 0.7480 HG23 :: 0.7480 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.19 D 0.13 Y 0.1 F 0.07 E 0.03 L 0.02 C Shift Assignments>> CA :: 53.700 CB :: 38.2200 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.5250 HA :: 4.4900 HB2 :: 2.6500 HB3 :: 2.740 HD21 :: 7.7400 HD22 :: 7.1900 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.5100 ND2 :: 112.9600 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 Q 0.29 K 0.14 E 0.06 R 0.02 HN Overlap>> 1.R22 1.R22 C Shift Assignments>> CA :: 54.6100 CB :: 31.3700 CG :: 32.9300 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.1700 HA :: 4.4300 HB2 :: 2.020 HB3 :: 1.870 HG2 :: 2.0760 HG3 :: 2.1200 HE21 :: 7.4500 HE22 :: 6.8500 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.1300 NE2 :: 110.9100 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 Q 0.16 K 0.16 H 0.15 C 0.14 R 0.12 I 0.05 L 0.01 V 0.01 C Shift Assignments>> CA :: 57.740 CB :: 29.2500 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.5100 HA :: 4.2700 HB2 :: 2.9600 HB3 :: 3.3600 HD2 :: 6.8500 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.3800 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.26 C 0.19 A 0.01 R 0.01 C Shift Assignments>> CA :: 53.6700 CB :: 44.900 CG :: 25.3400 CD1 :: 26.5600 CD2 :: 23.8400 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.9700 HA :: 4.540 HB2 :: 1.6800 HB3 :: 0.6800 HG :: 1.6000 HD11 :: 0.78400 HD12 :: 0.78400 HD13 :: 0.78400 HD21 :: 0.6800 HD22 :: 0.6800 HD23 :: 0.6800 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.0200 Ave N Shift Values>> N :: 121.98(4.07) 1.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.18 D 0.17 A 0.16 L 0.1 H 0.07 C 0.07 Q 0.05 R 0.04 K 0.04 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> CA :: 53.9400 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.8800 HB2 :: 3.6100 HB3 :: 3.6100 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.9800 Ave N Shift Values>> N :: 119.95(4.79) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 C 0.24 P 0.03 A 0.03 L 0.02 N 0.01 C Shift Assignments>> CA :: 47.50 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.3300 HA2 :: 2.9200 HA3 :: 3.1700 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.3300 Ave N Shift Values>> N :: 109.91(4.29) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 61.6700 CB :: 62.5700 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.0500 HB2 :: 4.0000 HB3 :: 4.0000 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 C 0.18 D 0.09 L 0.08 I 0.06 K 0.04 N 0.02 C Shift Assignments>> CA :: 57.400 CB :: 39.9400 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.9500 HA :: 4.3300 HB2 :: 2.9400 HB3 :: 2.5800 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.900 Ave N Shift Values>> N :: 120.73(4.2) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.46 R 0.01 C Shift Assignments>> CA :: 57.500 CB :: 40.3600 CG :: 27.0400 CD1 :: 22.8800 CD2 :: 25.4000 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.9000 HA :: 3.8500 HB2 :: 1.7600 HB3 :: 1.100 HG :: 1.1500 HD11 :: 0.5900 HD12 :: 0.5900 HD13 :: 0.5900 HD21 :: 0.660 HD22 :: 0.660 HD23 :: 0.660 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.9100 Ave N Shift Values>> N :: 121.98(4.07) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> CA :: 66.7500 CB :: 31.6400 CG1 :: 22.1800 CG2 :: 21.7400 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.9100 HA :: 3.110 HB :: 2.0300 HG11 :: 0.9150 HG12 :: 0.9150 HG13 :: 0.9150 HG21 :: 0.9230 HG22 :: 0.9230 HG23 :: 0.9230 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.5100 Ave N Shift Values>> N :: 121.02(4.96) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.25 K 0.05 Q 0.01 C Shift Assignments>> CA :: 59.400 CB :: 29.500 CG :: 36.7500 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.9200 HA :: 4.010 HB2 :: 2.0100 HB3 :: 2.0100 HG2 :: 2.2400 HG3 :: 2.3900 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.8700 Ave N Shift Values>> N :: 120.68(3.68) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 C 0.09 I 0.05 V 0.03 L 0.02 T 0.01 C Shift Assignments>> CA :: 55.300 CB :: 19.1200 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.5400 HA :: 4.0100 HB1 :: 1.290 HB2 :: 1.290 HB3 :: 1.290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.4500 Ave N Shift Values>> N :: 123.23(3.7) 1.L15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 L 0.48 C Shift Assignments>> CA :: 57.630 CB :: 40.2100 CG :: 26.5600 CD1 :: 23.900 CD2 :: 25.800 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.9700 HA :: 3.660 HB2 :: 0.920 HB3 :: 0.1180(S) HG :: 1.240 HD11 :: 0.4700 HD12 :: 0.4700 HD13 :: 0.4700 HD21 :: 0.130 HD22 :: 0.130 HD23 :: 0.130 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.3900 Ave N Shift Values>> N :: 121.98(4.07) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> CA :: 61.780 CB :: 38.0600 CD1 :: 133.2100 CD2 :: 133.2100 CE1 :: 118.5000 CE2 :: 118.5000 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.1100 HA :: 4.3100 HB2 :: 3.0800 HB3 :: 3.0800 HD1 :: 7.200 HD2 :: 7.200 HE1 :: 6.7800 HE2 :: 6.7800 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.4400 Ave N Shift Values>> N :: 120.79(4.69) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.34 R 0.05 G 0.01 C Shift Assignments>> CA :: 57.9500 CB :: 42.1600 CG :: 26.9700 CD1 :: 24.6500 CD2 :: 23.6600 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.5200 HA :: 4.0500 HB2 :: 1.8700 HB3 :: 1.700 HG :: 1.7100 HD11 :: 0.9100 HD12 :: 0.9100 HD13 :: 0.9100 HD21 :: 0.8600 HD22 :: 0.8600 HD23 :: 0.8600 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.7200 Ave N Shift Values>> N :: 121.98(4.07) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> CA :: 65.5200 CB :: 32.800 CG1 :: 21.9500 CG2 :: 21.2300 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.360 HA :: 3.6700 HB :: 1.8900 HG11 :: 0.8400 HG12 :: 0.8400 HG13 :: 0.8400 HG21 :: 0.7700 HG22 :: 0.7700 HG23 :: 0.7700 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.1600 Ave N Shift Values>> N :: 121.02(4.96) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 N 0.23 E 0.18 Y 0.09 K 0.04 F 0.04 D 0.02 Q 0.01 C Shift Assignments>> CA :: 54.2200 CB :: 36.400 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.7300 HA :: 4.7550 HB2 :: 3.2100 HB3 :: 2.8300 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.4600 Ave N Shift Values>> N :: 119.95(4.79) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> CA :: 46.7400 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.700 HA2 :: 3.9300 HA3 :: 3.8100 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.8200 Ave N Shift Values>> N :: 109.91(4.29) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.13 K 0.09 Q 0.03 C Shift Assignments>> CA :: 57.8400 CB :: 29.300 CG :: 36.500 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.0200 HA :: 4.1300 HB2 :: 2.0500 HB3 :: 2.0500 HG2 :: 2.3200 HG3 :: 2.3200 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.5600 Ave N Shift Values>> N :: 120.68(3.68) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.39 G 0.16 K 0.03 HN Overlap>> 1.Q4 1.R65 1.Q4 1.R65 C Shift Assignments>> CA :: 58.0300 CB :: 31.1300 CG :: 27.000 CD :: 44.0600 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.0700 HA :: 4.1060 HB2 :: 2.0860 HB3 :: 1.9800 HG2 :: 1.7800 HG3 :: 1.7800 HD2 :: 3.300 HD3 :: 3.2400 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.100 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> CA :: 44.900 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.3300 HA2 :: 4.0600 HA3 :: 3.7300 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.4600 Ave N Shift Values>> N :: 109.91(4.29) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.33 C 0.25 C Shift Assignments>> CA :: 55.8300 CB :: 41.6200 CD1 :: 132.424 CD2 :: 132.424 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.5900 HA :: 4.9700 HB2 :: 3.1800 HB3 :: 2.8300 HD1 :: 6.6500 HD2 :: 6.6500 HE1 :: 6.7900 HE2 :: 6.7900 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.4700 Ave N Shift Values>> N :: 120.69(4.18) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.37 Y 0.36 C 0.25 C Shift Assignments>> CA :: 56.8400 CB :: 40.00 CD1 :: 131.8400 CD2 :: 131.8400 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.32 HA :: 4.6800 HB2 :: 3.0700 HB3 :: 3.0700 HD1 :: 7.130 HD2 :: 7.130 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.59 C 0.4 C Shift Assignments>> CA :: 58.4500 CB :: 39.7600 CD1 :: 132.7300 CD2 :: 132.7300 CE1 :: 118.0500 CE2 :: 118.0500 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.9000 HA :: 4.56000 HB2 :: 2.8400 HB3 :: 2.8400 HD1 :: 6.9000 HD2 :: 6.9000 HE1 :: 6.6600 HE2 :: 6.6600 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 60.9400 CB :: 70.1300 CG2 :: 21.7000 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.890 HA :: 4.2800 HB :: 3.9900 HG21 :: 1.060 HG22 :: 1.060 HG23 :: 1.060 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 1.K28 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.42 C 0.34 R 0.2 G 0.02 C Shift Assignments>> CA :: 54.5900 CB :: 32.7100 CG :: 24.5600 CD :: 29.3000 CE :: 42.6300 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.2450 HA :: 4.3000 HB2 :: 1.7200 HB3 :: 1.6300 HG2 :: 1.3500 HG3 :: 1.3500 HD2 :: 2.9100(S) HD3 :: 2.9100(S) HE2 :: 2.8600 HE3 :: 2.8600 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.980 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE2 > HD2 : 0.9981) (HE3 > HD2 : 0.9989) (HE2 > HD3 : 0.9989) (HE3 > HD3 : 0.9989) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 63.270 CB :: 32.240 CG :: 27.3200 CD :: 50.400 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.3500 HB2 :: 2.2200 HB3 :: 1.8300 HG2 :: 1.9100 HG3 :: 1.8600 HD2 :: 3.700 HD3 :: 3.600 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 62.0400 CB :: 70.1800 CG2 :: 21.4500 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.2900 HA :: 4.240 HB :: 4.1400 HG21 :: 1.1600 HG22 :: 1.1600 HG23 :: 1.1600 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.130 Ave N Shift Values>> N :: 115.7(5.05) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.35 K 0.14 G 0.05 C Shift Assignments>> CA :: 56.0800 CB :: 30.710 CD :: 43.1800 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.3600 HA :: 4.2700 HB2 :: 1.7900 HB3 :: 1.700 HD2 :: 3.100 HD3 :: 3.100 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.3800 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.14 G 0.05 C Shift Assignments>> CA :: 56.2800 CB :: 30.8200 CD :: 43.2000 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.4800 HA :: 4.2500 HB2 :: 1.72 HB3 :: 1.72 HD2 :: 3.1100 HD3 :: 3.1100 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.0500 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.39 K 0.07 I 0.06 Q 0.04 C Shift Assignments>> CA :: 57.1000 CB :: 30.330 CG :: 36.3500 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.5400 HA :: 4.1600 HB2 :: 1.800 HB3 :: 1.9400 HG2 :: 2.2100 HG3 :: 2.2100 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.9200 Ave N Shift Values>> N :: 120.68(3.68) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.03 L 0.01 HN Overlap>> 1.L53 1.L53 C Shift Assignments>> CA :: 52.900 CB :: 19.3500 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.3000 HA :: 4.1900 HB1 :: 1.340 HB2 :: 1.340 HB3 :: 1.340 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.5100 Ave N Shift Values>> N :: 123.23(3.7) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.39 I 0.07 K 0.07 Q 0.03 C Shift Assignments>> CA :: 57.2700 CB :: 30.380 CG :: 36.4200 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.2900 HA :: 4.200 HB2 :: 1.8900 HB3 :: 2.00 HG2 :: 2.2000 HG3 :: 2.2000 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.1600 Ave N Shift Values>> N :: 120.68(3.68) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 K 0.12 C 0.11 N 0.09 F 0.08 Y 0.07 R 0.03 HN Overlap>> 1.Q38 1.Q38 C Shift Assignments>> CA :: 54.3800 CB :: 41.17000 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.2200 HA :: 4.500 HB2 :: 2.6800 HB3 :: 2.5600 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.500 Ave N Shift Values>> N :: 120.73(4.2) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.3 R 0.05 G 0.01 C Shift Assignments>> CA :: 55.5400 CB :: 42.2100 CG :: 27.1400 CD1 :: 24.4400 CD2 :: 24.4000 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.0400 HA :: 4.215 HB2 :: 1.5300 HB3 :: 1.5800 HG :: 1.5600 HD11 :: 0.7900 HD12 :: 0.7900 HD13 :: 0.7900 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.0200 Ave N Shift Values>> N :: 121.98(4.07) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.26 C 0.26 E 0.11 R 0.05 HN Overlap>> 1.D36 1.D36 C Shift Assignments>> CA :: 55.7200 CB :: 29.2800 CG :: 33.7400 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.3050 HA :: 4.2500 HB2 :: 2.00 HB3 :: 1.900 HG2 :: 2.3000 HG3 :: 2.3000 HE21 :: 7.5300 HE22 :: 6.8700 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.5300 NE2 :: 111.4400 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> CA :: 62.7700 CB :: 32.7100 CG1 :: 20.9300 CG2 :: 20.9300 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.0600 HA :: 4.027 HB :: 2.0100 HG11 :: 0.8800 HG12 :: 0.8800 HG13 :: 0.8800 HG21 :: 0.880 HG22 :: 0.880 HG23 :: 0.880 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.6700 Ave N Shift Values>> N :: 121.02(4.96) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.30 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.4800 HA2 :: 3.900 HA3 :: 3.900 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.2300 Ave N Shift Values>> N :: 109.91(4.29) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.26 K 0.25 E 0.12 R 0.04 C Shift Assignments>> CA :: 55.7900 CB :: 29.6100 CG :: 33.6900 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.1700 HA :: 4.2800 HB2 :: 1.9800 HB3 :: 1.9800 HG2 :: 2.2500 HG3 :: 2.2500 HE21 :: 7.5300 HE22 :: 6.8700 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.9300 NE2 :: 111.4400 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> CA :: 62.400 CB :: 32.9100 CG1 :: 21.2500 CG2 :: 21.2500 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.1700 HA :: 4.01 HB :: 1.967 HG11 :: 0.8350 HG12 :: 0.8350 HG13 :: 0.8350 HG21 :: 0.8340 HG22 :: 0.8340 HG23 :: 0.8340 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.3800 Ave N Shift Values>> N :: 121.02(4.96) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.39 K 0.08 I 0.05 Q 0.04 C Shift Assignments>> CA :: 56.6900 CB :: 30.3300 CG :: 36.3500 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.5250 HA :: 4.210 HB2 :: 1.900 HB3 :: 1.900 HG2 :: 2.200 HG3 :: 2.200 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.5400 Ave N Shift Values>> N :: 120.68(3.68) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.29 R 0.05 G 0.02 C Shift Assignments>> CA :: 55.1900 CB :: 42.460 CG :: 27.1000 CD1 :: 24.4100 CD2 :: 24.4100 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.35700 HA :: 4.30 HB2 :: 1.550 HB3 :: 1.550 HG :: 1.5500 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 HD21 :: 0.80 HD22 :: 0.80 HD23 :: 0.80 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.7700 Ave N Shift Values>> N :: 121.98(4.07) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 HN Overlap>> 1.G49 1.G49 C Shift Assignments>> CA :: 45.6300 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.4600 HA2 :: 3.8900 HA3 :: 3.8900 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.5600 Ave N Shift Values>> N :: 109.91(4.29) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.3500 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.25800 HA2 :: 3.900 HA3 :: 3.900 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.3700 Ave N Shift Values>> N :: 109.91(4.29) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> CA :: 44.200 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.18600 HA2 :: 4.0500 HA3 :: 4.0500 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.8900 Ave N Shift Values>> N :: 109.91(4.29) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> CA :: 63.8200 CB :: 32.110 CG :: 27.9900 CD :: 49.6400 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.3400 HB2 :: 2.1900 HB3 :: 2.1900 HG2 :: 1.9100 HG3 :: 1.9100 HD2 :: 3.5900 HD3 :: 3.5900 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 HN Overlap>> 1.G45 1.G45 C Shift Assignments>> CA :: 45.4100 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.5500 HA2 :: 3.85800 HA3 :: 3.85800 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.600 Ave N Shift Values>> N :: 109.91(4.29) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.03 L 0.01 C Shift Assignments>> CA :: 52.97 CB :: 19.3400 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.140 HA :: 4.26 HB1 :: 1.330 HB2 :: 1.330 HB3 :: 1.330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.9300 Ave N Shift Values>> N :: 123.23(3.7) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.5900 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.4300 HA2 :: 3.8800 HA3 :: 3.8800 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.0800 Ave N Shift Values>> N :: 109.91(4.29) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.6900 CB :: 64.0800 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.0800 HA :: 4.3900 HB2 :: 4.3200 HB3 :: 4.4100 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.2900 Ave N Shift Values>> N :: 116.3(3.95) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.26 R 0.05 G 0.02 HN Overlap>> 1.A34 1.A34 C Shift Assignments>> CA :: 54.4100 CB :: 42.40 CG :: 27.2200 CD1 :: 24.5500 CD2 :: 24.5500 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.2400 HA :: 4.29 HB2 :: 1.50 HB3 :: 1.50 HG :: 1.5600 HD11 :: 0.7900 HD12 :: 0.7900 HD13 :: 0.7900 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.5600 Ave N Shift Values>> N :: 121.98(4.07) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.28 K 0.26 E 0.07 R 0.05 C Shift Assignments>> CA :: 53.6800 CB :: 28.9800 CG :: 33.8000 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.2600 HA :: 4.3100 HB2 :: 1.8200 HB3 :: 1.7100 HG2 :: 2.4000 HG3 :: 2.2900 HE21 :: 7.5300 HE22 :: 6.8700 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.9600 NE2 :: 111.4400 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> CA :: 63.4100 CB :: 32.10 CG :: 27.3200 CD :: 50.400 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.31400 HB3 :: 2.200 HG2 :: 1.8900 HG3 :: 1.8900 HD2 :: 3.700 HD3 :: 3.600 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.31 R 0.06 G 0.02 HN Overlap>> 1.C71 1.C71 C Shift Assignments>> CA :: 55.6600 CB :: 42.360 CG :: 27.2600 CD1 :: 24.4600 CD2 :: 24.4600 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.287000 HA :: 4.20 HB2 :: 1.550 HB3 :: 1.550 HG :: 1.500 HD11 :: 0.8040 HD12 :: 0.8040 HD13 :: 0.8040 HD21 :: 0.804 HD22 :: 0.804 HD23 :: 0.804 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.5300 Ave N Shift Values>> N :: 121.98(4.07) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.03 L 0.01 C Shift Assignments>> CA :: 52.7100 CB :: 19.300 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.16500 HA :: 4.2400 HB1 :: 1.310 HB2 :: 1.310 HB3 :: 1.310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.2900 Ave N Shift Values>> N :: 123.23(3.7) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.31 R 0.06 G 0.02 C Shift Assignments>> CA :: 55.8400 CB :: 42.390 CG :: 27.1000 CD1 :: 24.4400 CD2 :: 24.4400 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.1400 HA :: 4.1800 HB2 :: 1.520 HB3 :: 1.520 HG :: 1.500 HD11 :: 0.7800 HD12 :: 0.7800 HD13 :: 0.7800 HD21 :: 0.780 HD22 :: 0.780 HD23 :: 0.780 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.07500 Ave N Shift Values>> N :: 121.98(4.07) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 I 0.1 K 0.08 Q 0.04 C Shift Assignments>> CA :: 57.7900 CB :: 30.0500 CG :: 36.3400 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.41500 HA :: 4.090 HB2 :: 1.9400 HB3 :: 1.9400 HG2 :: 2.1900 HG3 :: 2.1900 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.100 Ave N Shift Values>> N :: 120.68(3.68) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> CA :: 46.0300 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.396 HA2 :: 3.8900 HA3 :: 3.8900 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.3800 Ave N Shift Values>> N :: 109.91(4.29) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E82 1.E82 C Shift Assignments>> CA :: 59.4100 CB :: 63.8900 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.15800 HA :: 4.3400 HB2 :: 3.900 HB3 :: 3.900 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.9700 Ave N Shift Values>> N :: 116.3(3.95) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.33 R 0.05 G 0.01 C Shift Assignments>> CA :: 56.5200 CB :: 42.1070 CG :: 27.1000 CD1 :: 24.4300 CD2 :: 24.5100 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.22500 HA :: 3.8400 HB2 :: 1.3850 HB3 :: 1.4500 HG :: 1.4700 HD11 :: 0.8100 HD12 :: 0.8100 HD13 :: 0.8100 HD21 :: 0.7480 HD22 :: 0.7480 HD23 :: 0.7480 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.6900 Ave N Shift Values>> N :: 121.98(4.07) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.29 K 0.21 E 0.15 R 0.02 C Shift Assignments>> CA :: 56.3400 CB :: 30.3400 CG :: 33.8000 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.3200 HA :: 4.2400 HB2 :: 2.17 HB3 :: 2.17 HG2 :: 2.4000 HG3 :: 2.2900 HE21 :: 7.5300 HE22 :: 6.8700 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 111.5100 NE2 :: 111.4400 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K64 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.41 C 0.33 R 0.21 G 0.02 C Shift Assignments>> CA :: 54.5000 CB :: 32.5900 CG :: 24.5600 CD :: 29.3000 CE :: 42.6300 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.3600 HA :: 4.3000 HB2 :: 1.7200 HB3 :: 1.6300 HG2 :: 1.3500 HG3 :: 1.3500 HD2 :: 2.9100(S) HD3 :: 2.9100(S) HE2 :: 2.8600 HE3 :: 2.8600 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.0000 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE2 > HD2 : 0.9981) (HE3 > HD2 : 0.9989) (HE2 > HD3 : 0.9989) (HE3 > HD3 : 0.9989) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.33 G 0.2 L 0.04 K 0.02 HN Overlap>> 1.R22 1.R22 C Shift Assignments>> CA :: 55.700 CB :: 29.600 CG :: 27.0400 CD :: 44.2000 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.0600 HA :: 4.1000 HB2 :: 2.0800 HB3 :: 1.9800 HG2 :: 1.8000 HG3 :: 1.8000 HD2 :: 3.3200 HD3 :: 3.2600 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.0200 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> CA :: 45.1200 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.18500 HA2 :: 3.9300 HA3 :: 3.9300 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.6200 Ave N Shift Values>> N :: 109.91(4.29) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> CA :: 62.2300 CB :: 38.5500 CG1 :: 27.1000 CG2 :: 17.3900 CD1 :: 14.1200 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.4300 HA :: 3.610 HB :: 1.920 HG12 :: 1.4100 HG13 :: 1.2000 HG21 :: 0.67500 HG22 :: 0.67500 HG23 :: 0.67500 HD11 :: 0.49500 HD12 :: 0.49500 HD13 :: 0.49500 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.0400 Ave N Shift Values>> N :: 121.6(4.72) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> CA :: 62.6800 CB :: 31.6700 CG1 :: 21.2000 CG2 :: 22.9000 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.0700 HA :: 3.8600 HB :: 2.0460 HG11 :: 0.8000 HG12 :: 0.8000 HG13 :: 0.8000 HG21 :: 0.9000 HG22 :: 0.9000 HG23 :: 0.9000 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.7000 Ave N Shift Values>> N :: 121.02(4.96) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.38 I 0.05 C Shift Assignments>> CA :: 57.4000 CB :: 32.020 CG :: 36.9300 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.1400 HA :: 4.1100 HB2 :: 1.7300 HB3 :: 1.7300 HG2 :: 2.3700 HG3 :: 2.2000 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.1600 Ave N Shift Values>> N :: 120.68(3.68) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.31 E 0.15 K 0.14 R 0.01 C Shift Assignments>> CA :: 55.7100 CB :: 31.0900 CG :: 33.8000 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.4900 HA :: 4.2900 HB2 :: 1.7100 HB3 :: 1.7900 HG2 :: 2.4000 HG3 :: 2.2900 HE21 :: 7.5300 HE22 :: 6.8700 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 111.5100 NE2 :: 111.4400 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 I 0.22 Y 0.19 F 0.12 C 0.12 D 0.05 E 0.01 L 0.01 HN Overlap>> 1.L56 1.L56 C Shift Assignments>> CB :: 38.6900 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.3200 HB2 :: 2.6500 HB3 :: 2.7300 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.6300 Ave N Shift Values>> N :: 119.95(4.79) 1.C72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.23 I 0.18 N 0.18 F 0.16 C 0.1 D 0.08 L 0.02 C Shift Assignments>> CB :: 39.1700 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 4.7870 HB2 :: 3.2300 HB3 :: 3.6800 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.95 C 0.04 C Shift Assignments>> CA :: 63.7300 CB :: 68.5900 CG2 :: 22.2500 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> HA :: 4.0400 HB :: 4.3500 HG21 :: 1.1800 HG22 :: 1.1800 HG23 :: 1.1800 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 56.4200 CB :: 64.5500 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.6900 HB2 :: 3.7900 HB3 :: 3.9300 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.32 C Shift Assignments>> CA :: 60.7200 CB :: 38.9400 CG1 :: 27.1100 CG2 :: 17.2400 CD1 :: 12.3800 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.8400 HA :: 4.3000 HB :: 1.50 HG12 :: 1.0700 HG13 :: 0.3800 HG21 :: 0.570 HG22 :: 0.570 HG23 :: 0.570 HD11 :: 0.4600 HD12 :: 0.4600 HD13 :: 0.4600 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.6800 Ave N Shift Values>> N :: 121.6(4.72) 1.C76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 N 0.2 C 0.18 Y 0.17 F 0.09 E 0.07 D 0.02 C Shift Assignments>> CB :: 37.8000 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 10.0900 HB2 :: 3.1000 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 129.4200 Ave N Shift Values>> N :: 119.95(4.79) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 56.5900 CB :: 65.6800 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.6300 HA :: 4.5500 HB2 :: 3.9500 HB3 :: 4.1400 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.39 R 0.02 C Shift Assignments>> CA :: 58.4900 CB :: 41.210 CG :: 26.9600 CD1 :: 24.4300 CD2 :: 24.6500 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.67000 HA :: 3.80700 HB2 :: 1.330 HB3 :: 1.4100 HG :: 1.4600 HD11 :: 0.8400 HD12 :: 0.8400 HD13 :: 0.8400 HD21 :: 0.720 HD22 :: 0.720 HD23 :: 0.720 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.1400 Ave N Shift Values>> N :: 121.98(4.07) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.4 C Shift Assignments>> CA :: 60.0400 CB :: 37.7100 CD1 :: 132.9300 CD2 :: 132.9300 CE1 :: 118.5000 CE2 :: 118.5000 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.6300 HA :: 4.2400 HB2 :: 2.900 HB3 :: 2.9700 HD1 :: 7.0520 HD2 :: 7.0520 HE1 :: 6.7700 HE2 :: 6.7700 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.900 Ave N Shift Values>> N :: 120.79(4.69) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.29 K 0.15 Q 0.13 I 0.08 R 0.01 C Shift Assignments>> CA :: 58.7300 CB :: 29.3200 CG :: 35.3200 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.4500 HA :: 3.850 HB2 :: 2.2900 HB3 :: 1.9600 HG2 :: 2.1600 HG3 :: 2.3400 HE21 :: 7.4500 HE22 :: 6.8500 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.300 NE2 :: 110.9100 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.36 R 0.14 G 0.01 K 0.01 C Shift Assignments>> CA :: 58.0400 CB :: 42.0900 CG :: 26.9600 CD1 :: 24.607500 CD2 :: 26.3900 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.8500 HA :: 4.0500 HB2 :: 1.910 HB3 :: 1.3300 HG :: 1.6700 HD21 :: 0.700 HD22 :: 0.700 HD23 :: 0.700 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.4300 Ave N Shift Values>> N :: 121.98(4.07) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.2 K 0.04 HN Overlap>> 1.S61 1.S61 C Shift Assignments>> CA :: 58.2300 CB :: 29.4100 CG :: 37.2000 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.0600 HA :: 4.100 HB2 :: 1.9100 HB3 :: 2.1200 HG2 :: 2.3000 HG3 :: 2.1200 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.0100 Ave N Shift Values>> N :: 120.68(3.68) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 C 0.19 D 0.17 Y 0.16 F 0.13 L 0.05 E 0.02 I 0.01 C Shift Assignments>> CA :: 55.0400 CB :: 38.9400 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.2800 HA :: 4.3800 HB2 :: 2.4700 HB3 :: 2.5600 HD21 :: 7.7400 HD22 :: 7.1900 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.1300 ND2 :: 112.9600 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> CA :: 59.120 CB :: 38.1100 CD1 :: 133.6600 CD2 :: 133.6600 CE1 :: 117.8200 CE2 :: 117.8200 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.91500 HA :: 4.30 HB2 :: 3.2800 HB3 :: 2.8400 HD1 :: 7.2300 HD2 :: 7.2300 HE1 :: 6.7300 HE2 :: 6.7300 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.2900 Ave N Shift Values>> N :: 120.79(4.69) 1.C85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 N 0.19 E 0.15 K 0.08 Q 0.06 Y 0.05 F 0.01 H 0.01 C Shift Assignments>> CA :: 53.4400 CB :: 35.6400 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.32800 HA :: 5.0700 HB2 :: 2.7600 HB3 :: 3.2200 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.900 Ave N Shift Values>> N :: 119.95(4.79) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 C 0.19 D 0.17 F 0.17 N 0.14 L 0.06 I 0.02 E 0.02 C Shift Assignments>> CA :: 55.6100 CB :: 39.2200 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.0300 HA :: 4.4400 HB2 :: 2.7000 HB3 :: 2.5600 HD21 :: 7.7400 HD22 :: 7.1900 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.1700 ND2 :: 112.9600 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) ########################################################################### Overall Results: #Consistent: 83 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 86 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 84 #Suspicious: 2 C Shift Results: #Consistent: 271 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 563 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 83 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L15 HB3 = 0.1180(S), Expected = 1.57, Std = 0.3600, ChiSquare = 5.4991e-05 1.K28 HD2 = 2.9100(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.9929e-07 1.K28 HD3 = 2.9100(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.9929e-07 1.K28 SRO Rule Break>> HE2 > HD2 : 0.998085513720485 1.K28 SRO Rule Break>> HE3 > HD2 : 0.998931243320271 1.K28 SRO Rule Break>> HE2 > HD3 : 0.99894142554693 1.K28 SRO Rule Break>> HE3 > HD3 : 0.998948106591865 1.K64 HD2 = 2.9100(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.9929e-07 1.K64 HD3 = 2.9100(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.9929e-07 1.K64 SRO Rule Break>> HE2 > HD2 : 0.998085513720485 1.K64 SRO Rule Break>> HE3 > HD2 : 0.998931243320271 1.K64 SRO Rule Break>> HE2 > HD3 : 0.99894142554693 1.K64 SRO Rule Break>> HE3 > HD3 : 0.998948106591865