Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.6870 CA :: 58.4500 CB :: 63.8220 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.4660 HB2 :: 3.8230 HB3 :: 3.8520 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.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.32 E 0.15 M 0.09 R 0.06 C Shift Assignments>> C :: 176.0650 CA :: 55.9820 CB :: 29.2550 CG :: 33.8140 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 :: 8.6360 HA :: 4.2880 HB2 :: 1.9590 HB3 :: 2.0630 HG2 :: 2.3390 HE21 :: 6.8520 HE22 :: 7.5600 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 :: 122.5280 NE2 :: 112.8050 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.18 G 0.09 L 0.01 C Shift Assignments>> C :: 176.4570 CA :: 56.1980 CB :: 30.6340 CG :: 27.0210 CD :: 43.2280 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 :: 8.4360 HB2 :: 1.7330 HB3 :: 1.7820 HG2 :: 1.6030 HD2 :: 3.1610 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.6160 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.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.19 G 0.09 L 0.01 C Shift Assignments>> C :: 176.3220 CA :: 56.2220 CB :: 30.6990 CG :: 27.1020 CD :: 43.2330 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 :: 8.4350 HA :: 4.2490 HB2 :: 1.7490 HG2 :: 1.5850 HD2 :: 3.1460 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.4600 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.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.31 E 0.15 M 0.1 R 0.06 C Shift Assignments>> C :: 175.9950 CA :: 55.9000 CB :: 29.3690 CG :: 33.8450 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 :: 8.4810 HA :: 4.2670 HB2 :: 2.0490 HB3 :: 1.9370 HG2 :: 2.3190 HE21 :: 7.5580 HE22 :: 6.8420 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 :: 121.9540 NE2 :: 112.7630 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.22 G 0.08 C Shift Assignments>> C :: 176.3250 CA :: 56.2070 CB :: 30.9000 CG :: 27.1670 CD :: 43.1950 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 :: 8.4880 HA :: 4.3320 HB2 :: 1.7910 HG2 :: 1.5710 HD2 :: 3.1410 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.7330 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.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.9220 CA :: 61.8990 CB :: 69.6560 CG2 :: 21.5740 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 :: 8.2230 HA :: 4.1630 HB :: 4.0090 HG21 :: 1.0140 HG22 :: 1.0140 HG23 :: 1.0140 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 :: 115.2830 Ave N Shift Values>> N :: 115.7(5.05) 1.H9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 C Shift Assignments>> C :: 174.6780 CA :: 55.8410 CB :: 31.0500 CD2 :: 119.8960 CE1 :: 137.9710 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 :: 8.2390 HA :: 4.5850 HB2 :: 2.8980 HB3 :: 2.9980 HD2 :: 6.9510 HE1 :: 7.9250 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 :: 122.3890 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.4740 CA :: 57.0240 CB :: 41.4860 CD1 :: 131.5690 CD2 :: 131.5690 CE1 :: 131.3740 CE2 :: 131.3740 CZ :: 129.1800 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 :: 8.2230 HA :: 4.9080 HB2 :: 2.7260 HB3 :: 3.1110 HD1 :: 7.1610 HD2 :: 7.1610 HE1 :: 7.2390 HE2 :: 7.2390 HZ :: 7.3760 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.1080 Ave N Shift Values>> N :: 120.69(4.18) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.5050 CA :: 60.5040 CB :: 70.8840 CG2 :: 21.6950 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.0440 HA :: 4.4950 HB :: 4.7920 HG21 :: 1.2890 HG22 :: 1.2890 HG23 :: 1.2890 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.2990 Ave N Shift Values>> N :: 115.7(5.05) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.1710 CA :: 62.1870 CB :: 62.2800 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.1450 HA :: 4.1120 HB2 :: 3.9240 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.6950 Ave N Shift Values>> N :: 116.3(3.95) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 Q 0.31 R 0.13 E 0.1 I 0.05 P 0.03 M 0.02 C Shift Assignments>> C :: 178.6800 CA :: 59.4700 CB :: 27.9310 CG :: 33.6560 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 :: 8.3860 HA :: 3.9930 HB2 :: 2.0900 HB3 :: 1.9090 HG2 :: 2.3810 HE21 :: 7.6510 HE22 :: 6.7390 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 :: 121.0600 NE2 :: 112.0950 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 K 0.25 Q 0.23 I 0.16 R 0.04 C Shift Assignments>> C :: 177.8340 CA :: 59.3020 CB :: 28.0770 CG :: 34.8910 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 :: 7.7410 HA :: 3.8120 HB2 :: 1.5480 HB3 :: 2.5820 HG2 :: 2.5790 HE21 :: 7.7920 HE22 :: 6.6160 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 :: 119.0070 NE2 :: 110.5790 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.07 C Shift Assignments>> C :: 179.0810 CA :: 58.0390 CB :: 41.5690 CG :: 26.8080 CD1 :: 25.1970 CD2 :: 23.2810 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 :: 8.2020 HA :: 3.5670 HB2 :: 1.4980 HB3 :: 1.7860 HG :: 1.6530 HD11 :: 0.8890 HD12 :: 0.8890 HD13 :: 0.8890 HD21 :: 0.7090 HD22 :: 0.7090 HD23 :: 0.7090 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.1240 Ave N Shift Values>> N :: 121.98(4.07) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 Q 0.31 E 0.17 R 0.08 I 0.06 M 0.02 P 0.01 C Shift Assignments>> C :: 179.0690 CA :: 59.2610 CB :: 28.5170 CG :: 34.0010 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 :: 8.0250 HA :: 3.9940 HB2 :: 2.1030 HB3 :: 2.1620 HG2 :: 2.3430 HG3 :: 2.4560 HE21 :: 6.8070 HE22 :: 7.4090 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 :: 118.2040 NE2 :: 111.6550 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 K 0.17 I 0.14 Q 0.12 M 0.06 C Shift Assignments>> C :: 179.9310 CA :: 58.6230 CB :: 29.5370 CG :: 35.7000 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 :: 7.6910 HA :: 4.1370 HB2 :: 1.8090 HB3 :: 1.9770 HG2 :: 2.2040 HG3 :: 2.2530 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.1040 Ave N Shift Values>> N :: 120.68(3.68) 1.L18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.86 V 0.09 A 0.03 C Shift Assignments>> C :: 178.0470 CA :: 58.3750 CB :: 38.1080 CG :: 26.1220 CD1 :: 23.6020 CD2 :: 22.4720 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 :: 8.3850 HA :: 3.5080 HB2 :: -1.0880(S) HB3 :: 0.5100 HG :: 1.1370 HD11 :: -0.6840(S) HD12 :: -0.6840(S) HD13 :: -0.6840(S) HD21 :: 0.3600 HD22 :: 0.3600 HD23 :: 0.3600 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 :: 123.1920 Ave N Shift Values>> N :: 121.98(4.07) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.29 E 0.23 I 0.05 R 0.05 M 0.04 C Shift Assignments>> C :: 178.8660 CA :: 58.8270 CB :: 28.9780 CG :: 34.2770 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 :: 8.0340 HA :: 4.4250 HB2 :: 1.9180 HB3 :: 2.1480 HG2 :: 2.4830 HG3 :: 2.2910 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 :: 119.4340 Ave N Shift Values>> N :: 120.68(3.68) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.36 I 0.04 C Shift Assignments>> C :: 181.3940 CA :: 55.1790 CB :: 18.0210 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.8900 HA :: 4.1320 HB1 :: 1.4910 HB2 :: 1.4910 HB3 :: 1.4910 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.7860 Ave N Shift Values>> N :: 123.23(3.7) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.3620 CA :: 66.9150 CB :: 68.2480 CG2 :: 21.8110 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 :: 7.9810 HA :: 4.0180 HB :: 4.5110 HG21 :: 1.4160 HG22 :: 1.4160 HG23 :: 1.4160 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.7840 Ave N Shift Values>> N :: 115.7(5.05) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 Y 0.22 F 0.21 E 0.02 C Shift Assignments>> C :: 176.2090 CA :: 61.4290 CB :: 38.6500 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 :: 8.9270 HA :: 4.4740 HB2 :: 3.3090 HB3 :: 3.1750 HD1 :: 7.1190 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 :: 124.8370 Ave N Shift Values>> N :: 120.69(4.18) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.33 R 0.16 E 0.09 M 0.03 I 0.02 C Shift Assignments>> C :: 177.7620 CA :: 57.9310 CB :: 27.8220 CG :: 33.5150 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 :: 8.0820 HA :: 3.7110 HB2 :: 2.0490 HB3 :: 2.2100 HG2 :: 2.7400 HG3 :: 2.6320 HE21 :: 7.9340 HE22 :: 7.0210 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 :: 113.6090 NE2 :: 113.5970 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.24 G 0.11 C Shift Assignments>> C :: 176.3920 CA :: 57.1690 CB :: 31.2990 CG :: 27.5640 CD :: 43.3960 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.1770 HA :: 4.1890 HB2 :: 1.8630 HB3 :: 1.8990 HG2 :: 1.6100 HG3 :: 1.7310 HD2 :: 3.1780 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 :: 115.8790 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.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.18 Y 0.08 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 173.2640 CA :: 52.7300 CB :: 38.4730 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 :: 7.8780 HA :: 4.3450 HB2 :: 2.6680 HB3 :: 2.7240 HD21 :: 7.5260 HD22 :: 6.5370 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 :: 118.2020 ND2 :: 108.6920 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.53 W 0.46 C Shift Assignments>> C :: 174.3330 CA :: 55.2460 CB :: 29.2550 CD2 :: 119.4210 CE1 :: 137.9800 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 :: 8.6940 HA :: 4.1310 HB2 :: 2.6750 HB3 :: 2.6440 HD2 :: 6.1570 HE1 :: 6.8380 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.9350 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 60.5080 CB :: 39.3690 CD1 :: 133.3860 CD2 :: 133.3860 CE1 :: 118.2790 CE2 :: 118.2790 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 :: 7.8860 HA :: 4.6150 HB2 :: 2.5660 HB3 :: 3.0910 HD1 :: 7.0300 HD2 :: 7.0300 HE1 :: 6.8850 HE2 :: 6.8850 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 :: 114.1370 Ave N Shift Values>> N :: 120.79(4.69) 1.P28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.4320 CA :: 62.9360 CB :: 30.9130 CG :: 25.7780 CD :: 50.5150 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 :: 4.4080 HB2 :: 1.3370 HB3 :: 1.5460 HG2 :: -0.0150(S) HG3 :: 0.9860 HD2 :: 2.9540 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.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.26 L 0.15 F 0.06 K 0.05 Y 0.05 R 0.01 C Shift Assignments>> C :: 175.6070 CA :: 52.6490 CB :: 40.7340 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 :: 8.4230 HA :: 4.3920 HB2 :: 3.1910 HB3 :: 2.7900 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.7260 Ave N Shift Values>> N :: 120.73(4.2) 1.M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 I 0.02 C Shift Assignments>> C :: 177.3730 CA :: 60.4440 CB :: 32.1150 CG :: 32.0110 CE :: 17.7130 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.7070 HA :: 3.7750 HB2 :: 2.0730 HB3 :: 2.1040 HG2 :: 2.3750 HG3 :: 2.5270 HE1 :: 1.9900 HE2 :: 1.9900 HE3 :: 1.9900 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.5680 Ave N Shift Values>> N :: 120.1(3.88) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.5180 CA :: 61.7540 CB :: 62.4680 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.3560 HA :: 4.1950 HB2 :: 3.8480 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.2030 Ave N Shift Values>> N :: 116.3(3.95) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.5030 CA :: 66.9640 CB :: 67.4860 CG2 :: 23.6040 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 :: 8.2950 HA :: 3.9580 HB :: 4.0940 HG21 :: 1.1490 HG22 :: 1.1490 HG23 :: 1.1490 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 :: 120.4800 Ave N Shift Values>> N :: 115.7(5.05) 1.R33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.42 G 0.35 K 0.21 C Shift Assignments>> C :: 178.5400 CA :: 60.9970 CB :: 31.9340 CG :: 29.6020 CD :: 43.5330 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 :: 8.9780 HA :: 3.8170 HB2 :: 1.5060 HB3 :: 2.4000 HG2 :: 0.5750(S) HG3 :: 2.0580 HD2 :: 2.6950 HD3 :: 3.3580 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.9510 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.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 E 0.44 K 0.06 M 0.01 Q 0.01 C Shift Assignments>> C :: 178.7590 CA :: 59.9550 CB :: 29.3810 CG :: 36.8100 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 :: 8.5420 HA :: 3.8980 HB2 :: 1.9850 HB3 :: 2.2570 HG2 :: 2.1480 HG3 :: 2.5200 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.7800 Ave N Shift Values>> N :: 120.68(3.68) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.35 K 0.1 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.8060 CA :: 59.6180 CB :: 29.3050 CG :: 36.3720 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 :: 7.5120 HA :: 3.9580 HB2 :: 2.1570 HB3 :: 1.9810 HG2 :: 2.0350 HG3 :: 2.3250 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.7830 Ave N Shift Values>> N :: 120.68(3.68) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L42 1.L42 C Shift Assignments>> C :: 179.4470 CA :: 64.5860 CB :: 38.4800 CG1 :: 28.5070 CG2 :: 14.8200 CD1 :: 18.4370 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 :: 8.3730 HA :: 3.5540 HB :: 1.8340 HG12 :: 1.1000 HG13 :: 1.8490 HG21 :: 0.7580 HG22 :: 0.7580 HG23 :: 0.7580 HD11 :: 0.8700 HD12 :: 0.8700 HD13 :: 0.8700 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.8370 Ave N Shift Values>> N :: 121.6(4.72) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.21 I 0.07 C Shift Assignments>> C :: 178.6920 CA :: 55.6660 CB :: 17.0760 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.5050 HA :: 3.5960 HB1 :: 1.2990 HB2 :: 1.2990 HB3 :: 1.2990 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.2030 Ave N Shift Values>> N :: 123.23(3.7) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.8690 CA :: 66.4580 CB :: 31.6620 CG1 :: 22.6540 CG2 :: 21.2040 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.6500 HA :: 3.7390 HB :: 2.1840 HG11 :: 1.0960 HG12 :: 1.0960 HG13 :: 1.0960 HG21 :: 0.9040 HG22 :: 0.9040 HG23 :: 0.9040 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 :: 117.8770 Ave N Shift Values>> N :: 121.02(4.96) 1.W39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.96 H 0.03 C Shift Assignments>> C :: 177.9270 CA :: 59.1320 CB :: 29.5910 CD1 :: 126.6510 CE3 :: 120.7080 CZ2 :: 114.5760 CZ3 :: 122.1230 CH2 :: 124.4750 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.9580 HA :: 4.5720 HB2 :: 3.4240 HB3 :: 3.3480 HD1 :: 7.1100 HE1 :: 10.1920 HE3 :: 7.5140 HZ2 :: 7.4000 HZ3 :: 7.0450 HH2 :: 7.1150 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.7040 NE1 :: 129.0670 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.9190 CA :: 61.7740 CB :: 71.1550 CG2 :: 22.3650 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 :: 7.9180 HA :: 4.2650 HB :: 4.1510 HG21 :: 1.0780 HG22 :: 1.0780 HG23 :: 1.0780 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 :: 105.1360 Ave N Shift Values>> N :: 115.7(5.05) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 E 0.19 Y 0.18 F 0.1 M 0.07 D 0.06 K 0.02 I 0.02 L 0.01 C Shift Assignments>> C :: 173.9620 CA :: 54.8230 CB :: 37.2230 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 :: 7.8390 HA :: 4.4410 HB2 :: 3.1660 HB3 :: 2.7920 HD21 :: 7.4650 HD22 :: 6.8230 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 :: 118.7680 ND2 :: 112.1870 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.2 A 0.04 HN Overlap>> 1.I36 1.I36 C Shift Assignments>> C :: 175.7080 CA :: 53.1590 CB :: 46.7050 CD1 :: 24.0080 CD2 :: 25.9760 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 :: 8.4560 HA :: 4.8660 HB2 :: 1.3190 HB3 :: 1.5690 HG :: 1.3080 HD11 :: 0.8790 HD12 :: 0.8790 HD13 :: 0.8790 HD21 :: 0.7180 HD22 :: 0.7180 HD23 :: 0.7180 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 :: 119.7700 Ave N Shift Values>> N :: 121.98(4.07) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.7870 CA :: 59.4360 CB :: 71.1640 CG2 :: 22.2180 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 :: 6.9690 HA :: 4.5880 HB :: 4.8620 HG21 :: 1.2540 HG22 :: 1.2540 HG23 :: 1.2540 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 :: 106.5910 Ave N Shift Values>> N :: 115.7(5.05) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 E 0.12 K 0.01 C Shift Assignments>> C :: 177.8580 CA :: 61.6350 CB :: 28.3310 CG :: 37.4820 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 :: 9.4220 HA :: 3.5590 HB2 :: 2.2970 HB3 :: 1.8560 HG2 :: 2.5680 HG3 :: 2.0550 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 :: 124.2990 Ave N Shift Values>> N :: 120.68(3.68) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.04 V 0.01 C Shift Assignments>> C :: 180.5320 CA :: 55.5580 CB :: 18.4570 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4270 HA :: 3.9030 HB1 :: 1.4040 HB2 :: 1.4040 HB3 :: 1.4040 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.6130 Ave N Shift Values>> N :: 123.23(3.7) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.2 G 0.11 C Shift Assignments>> C :: 179.8180 CA :: 58.9930 CB :: 30.7990 CG :: 27.7920 CD :: 43.3100 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.6540 HA :: 4.1950 HB2 :: 1.9370 HB3 :: 2.0440 HG2 :: 1.7480 HG3 :: 1.8840 HD2 :: 3.2350 HD3 :: 3.1290 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.1290 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.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.4480 CA :: 67.4490 CB :: 32.4220 CG1 :: 23.6040 CG2 :: 22.4510 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 :: 8.1460 HA :: 3.6880 HB :: 2.3810 HG11 :: 0.9870 HG12 :: 0.9870 HG13 :: 0.9870 HG21 :: 1.1020 HG22 :: 1.1020 HG23 :: 1.1020 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 :: 121.0010 Ave N Shift Values>> N :: 121.02(4.96) 1.R48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.62 G 0.31 K 0.06 C Shift Assignments>> C :: 179.4010 CA :: 60.6940 CB :: 30.5330 CG :: 26.2000 CD :: 43.7370 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.2740 HA :: 3.8840 HB2 :: 2.2140 HB3 :: 2.0570 HG2 :: 1.6170 HG3 :: 1.4960 HD2 :: 3.2480 HE :: 9.3300(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.9650 NE :: 80.7680 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.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.2430 CA :: 66.1250 CB :: 32.2630 CG1 :: 21.3050 CG2 :: 23.2390 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.8650 HA :: 3.7390 HB :: 2.1860 HG11 :: 1.0410 HG12 :: 1.0410 HG13 :: 1.0410 HG21 :: 1.1490 HG22 :: 1.1490 HG23 :: 1.1490 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.2590 Ave N Shift Values>> N :: 121.02(4.96) 1.W50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 179.8210 CA :: 63.4770 CB :: 28.4620 CD1 :: 126.9640 CZ2 :: 113.8910 CZ3 :: 120.9130 CH2 :: 123.4940 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.3380 HA :: 3.9630 HB2 :: 3.4270 HB3 :: 3.2360 HD1 :: 6.6130 HE1 :: 9.1600 HE3 :: 6.6010 HZ2 :: 7.1320 HZ3 :: 5.5510 HH2 :: 6.4700 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.9550 NE1 :: 128.1610 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.6800 CA :: 63.7140 CB :: 39.2080 CD1 :: 131.9770 CD2 :: 131.9770 CE1 :: 131.9450 CE2 :: 131.9450 CZ :: 129.9690 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 :: 8.9510 HA :: 3.6600 HB2 :: 3.2290 HD1 :: 7.7410 HD2 :: 7.7410 HE1 :: 7.5630 HE2 :: 7.5630 HZ :: 7.4000 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 :: 117.9020 Ave N Shift Values>> N :: 120.69(4.18) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.23 M 0.03 G 0.01 C Shift Assignments>> C :: 179.9340 CA :: 60.5150 CB :: 32.4330 CG :: 24.9140 CD :: 29.6270 CE :: 41.9780 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.8960 HA :: 3.9370 HB2 :: 2.0090 HB3 :: 1.9220 HG2 :: 1.4380 HG3 :: 1.6750 HD2 :: 1.7500 HD3 :: 1.6760 HE2 :: 3.0060 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.4260 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N53 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 N 0.23 E 0.17 F 0.15 D 0.08 M 0.04 I 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 182.4540(A) CA :: 55.4980 CB :: 37.7030 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 :: 8.2230 HA :: 4.2970 HB2 :: 2.4380 HB3 :: 2.6000 HD21 :: 7.4620 HD22 :: 6.9480 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.2210 ND2 :: 112.8650 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R54 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.57 K 0.4 C Shift Assignments>> C :: 179.8620 CA :: 56.4100 CB :: 27.6840 CG :: 24.1240 CD :: 40.3820 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 :: 8.4030 HA :: 3.4120 HB2 :: 0.6450(S) HB3 :: -0.6180(A) HG2 :: -0.7990(A) HG3 :: -0.2300(S) HD2 :: 2.0220(S) HD3 :: 2.3180(S) HE :: 10.0050(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.1000 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.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 R 0.12 K 0.07 C Shift Assignments>> C :: 178.1960 CA :: 60.6930 CB :: 31.5800 CG :: 31.6750 CD :: 43.7200 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 :: 8.2920 HA :: 3.9400 HB2 :: 2.2020 HG2 :: 1.7990 HD2 :: 2.7120 HD3 :: 2.6070 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 :: 119.6120 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.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.31 I 0.04 C Shift Assignments>> C :: 180.0200 CA :: 55.2570 CB :: 17.6290 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.4160 HA :: 4.1310 HB1 :: 1.4750 HB2 :: 1.4750 HB3 :: 1.4750 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.6590 Ave N Shift Values>> N :: 123.23(3.7) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.24 M 0.03 G 0.01 C Shift Assignments>> C :: 178.2460 CA :: 58.9280 CB :: 32.6760 CG :: 24.9210 CD :: 29.2860 CE :: 41.9280 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.4120 HA :: 3.9450 HB2 :: 1.7000 HG2 :: 1.3820 HG3 :: 1.2440 HD2 :: 1.4440 HE2 :: 2.7770 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.2160 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.95 H 0.04 C Shift Assignments>> C :: 177.8350 CA :: 59.6970 CB :: 29.1700 CD1 :: 127.2880 CE3 :: 120.1250 CZ2 :: 114.8160 CZ3 :: 121.9280 CH2 :: 124.7910 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.0080 HA :: 4.4780 HB2 :: 3.6190 HB3 :: 3.1780 HD1 :: 7.3940 HE1 :: 10.3660 HE3 :: 7.6230 HZ2 :: 7.5370 HZ3 :: 7.2020 HH2 :: 7.3210 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.1290 NE1 :: 130.5210 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.19 G 0.15 C Shift Assignments>> C :: 177.4260 CA :: 58.4850 CB :: 30.6890 CG :: 28.4100 CD :: 43.5690 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 :: 8.2760 HA :: 3.7320 HB2 :: 1.7940 HB3 :: 1.8350 HG2 :: 1.8840 HG3 :: 1.5540 HD2 :: 3.1730 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 :: 118.0110 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.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.33 G 0.01 C Shift Assignments>> C :: 176.9710 CA :: 57.2580 CB :: 32.5530 CD :: 29.0760 CE :: 42.0270 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.5080 HA :: 4.1120 HB2 :: 1.8570 HB3 :: 1.7690 HG2 :: 1.3900 HG3 :: 1.4880 HD2 :: 1.6140 HE2 :: 2.9050 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.4510 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 K 0.21 G 0.07 L 0.04 C Shift Assignments>> C :: 176.4500 CA :: 56.7310 CB :: 30.0150 CG :: 26.8230 CD :: 43.0880 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.7610 HA :: 4.1260 HB2 :: 1.7730 HG2 :: 1.5010 HD2 :: 3.0100 HD3 :: 2.9650 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 :: 118.6460 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.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.13 K 0.12 I 0.08 Q 0.06 C Shift Assignments>> C :: 176.4010 CA :: 56.7270 CB :: 30.1300 CG :: 36.3540 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 :: 8.1170 HA :: 4.1320 HB2 :: 1.7040 HB3 :: 1.8300 HG2 :: 2.0080 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.0050 Ave N Shift Values>> N :: 120.68(3.68) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.15 K 0.12 I 0.07 Q 0.07 C Shift Assignments>> C :: 175.8420 CA :: 56.8270 CB :: 30.2380 CG :: 36.2190 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 :: 8.0160 HA :: 4.0460 HB2 :: 1.6940 HB3 :: 1.8140 HG2 :: 1.9570 HG3 :: 2.0650 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.4610 Ave N Shift Values>> N :: 120.68(3.68) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 Y 0.36 C Shift Assignments>> C :: 175.0250 CA :: 57.4300 CB :: 39.4210 CD1 :: 131.6680 CD2 :: 131.6680 CE1 :: 131.5330 CE2 :: 131.5330 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 :: 7.9760 HA :: 4.5690 HB2 :: 3.0600 HB3 :: 2.9240 HD1 :: 7.1310 HD2 :: 7.1310 HE1 :: 7.2590 HE2 :: 7.2590 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.2800 Ave N Shift Values>> N :: 120.69(4.18) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.6250 CA :: 60.7750 CB :: 38.7800 CG1 :: 27.1820 CG2 :: 17.3430 CD1 :: 12.8150 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 :: 7.8830 HA :: 4.0820 HB :: 1.7160 HG12 :: 1.3720 HG13 :: 1.0640 HG21 :: 0.7780 HG22 :: 0.7780 HG23 :: 0.7780 HD11 :: 0.7620 HD12 :: 0.7620 HD13 :: 0.7620 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.5960 Ave N Shift Values>> N :: 121.6(4.72) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 M 0.03 I 0.01 C Shift Assignments>> C :: 176.1650 CA :: 62.3410 CB :: 32.6740 CG2 :: 21.0250 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 :: 8.2610 HA :: 4.1060 HB :: 2.0170 HG11 :: 0.9290 HG12 :: 0.9290 HG13 :: 0.9290 HG21 :: 0.9290 HG22 :: 0.9290 HG23 :: 0.9290 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.6500 Ave N Shift Values>> N :: 121.02(4.96) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.4250 CA :: 61.2390 CB :: 69.9550 CG2 :: 21.2580 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 :: 8.2470 HA :: 4.3640 HB :: 4.2370 HG21 :: 1.1480 HG22 :: 1.1480 HG23 :: 1.1480 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.5230 Ave N Shift Values>> N :: 115.7(5.05) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.21 R 0.18 D 0.13 F 0.09 Y 0.07 N 0.01 C Shift Assignments>> CA :: 55.9800 CB :: 42.2740 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 :: 7.9380 HA :: 4.3660 HB2 :: 2.5160 HB3 :: 2.6200 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.2000 Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 62 #Clerical: 0 #Suspicious: 4 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 67 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 68 #Suspicious: 0 C Shift Results: #Consistent: 309 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 452 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 2 N Shift Results: #Consistent: 78 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L18 HB2 = -1.0880(S), Expected = 1.63, Std = 0.3400, ChiSquare = 1.3051e-15 1.L18 HD11 = -0.6840(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2370e-08 1.L18 HD12 = -0.6840(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2370e-08 1.L18 HD13 = -0.6840(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2370e-08 1.P28 HG2 = -0.0150(S), Expected = 1.93, Std = 0.3600, ChiSquare = 6.5617e-08 1.R33 HG2 = 0.5750(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.9748e-04 1.R48 HE = 9.3300(S), Expected = 7.32, Std = 0.5200, ChiSquare = 1.1091e-04 1.N53 C = 182.4540(A), Expected = 175.16, Std = 1.7600, ChiSquare = 3.4083e-05 1.R54 HB2 = 0.6450(S), Expected = 1.79, Std = 0.2800, ChiSquare = 4.3270e-05 1.R54 HB3 = -0.6180(A), Expected = 1.78, Std = 0.2800, ChiSquare = 1.0875e-17 1.R54 HG2 = -0.7990(A), Expected = 1.58, Std = 0.2700, ChiSquare = 1.2391e-18 1.R54 HG3 = -0.2300(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.0320e-11 1.R54 HD2 = 2.0220(S), Expected = 3.13, Std = 0.2300, ChiSquare = 1.4545e-06 1.R54 HD3 = 2.3180(S), Expected = 3.13, Std = 0.2200, ChiSquare = 2.2345e-04 1.R54 HE = 10.0050(S), Expected = 7.32, Std = 0.5200, ChiSquare = 2.4242e-07