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 :: 174.7360 CA :: 58.5000 CB :: 63.9000 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.4870 HB2 :: 3.8790 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 0.34 K 0.31 E 0.16 M 0.11 R 0.06 C Shift Assignments>> C :: 176.1100 CA :: 56.2000 CB :: 29.4590 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 :: 8.6700 HA :: 4.3210 HB2 :: 1.9910 HB3 :: 2.0950 HG2 :: 2.3710 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 :: 122.5410 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 0.69 K 0.19 G 0.1 L 0.01 HN Overlap>> 1.R7 1.R7 C Shift Assignments>> C :: 176.5030 CA :: 56.3320 CB :: 30.7010 CG :: 27.1590 CD :: 43.3020 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 :: 8.4700 HA :: 4.2880 HB2 :: 1.8280 HB3 :: 1.7770 HG2 :: 1.5960 HG3 :: 1.6350 HD2 :: 3.1820 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 :: 122.6300 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 0.18 G 0.1 L 0.01 C Shift Assignments>> C :: 176.3660 CA :: 56.3160 CB :: 30.7070 CG :: 27.1550 CD :: 43.3230 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 :: 8.4680 HA :: 4.3070 HB2 :: 1.8160 HG2 :: 1.6270 HD2 :: 3.1950 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 :: 122.4430 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 0.34 K 0.3 E 0.16 M 0.12 R 0.05 C Shift Assignments>> C :: 176.0480 CA :: 55.9320 CB :: 29.5380 CG :: 33.9130 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 :: 8.5140 HA :: 4.3400 HB2 :: 2.1030 HB3 :: 2.0050 HG2 :: 2.3910 HE21 :: 7.5930 HE22 :: 6.8620 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 :: 121.9500 NE2 :: 112.6900 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 0.68 K 0.2 G 0.1 HN Overlap>> 1.R4 1.R4 C Shift Assignments>> C :: 176.3690 CA :: 56.2100 CB :: 30.7890 CG :: 27.2500 CD :: 43.3020 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 :: 8.5200 HA :: 4.3610 HB2 :: 1.8280 HG2 :: 1.6360 HD2 :: 3.1820 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 :: 122.7290 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 :: 173.9820 CA :: 62.0000 CB :: 69.7000 CG2 :: 21.6000 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 :: 8.2550 HA :: 4.2050 HB :: 4.0400 HG21 :: 1.0550 HG22 :: 1.0550 HG23 :: 1.0550 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 :: 115.2880 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 :: 174.7400 CA :: 56.0200 CB :: 31.1000 CD2 :: 119.8740 CE1 :: 138.2230 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 :: 8.2730 HA :: 4.6270 HB2 :: 3.0300 HB3 :: 2.9570 HD2 :: 6.9680 HE1 :: 7.8970 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 :: 122.4840 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 :: 176.4880 CA :: 56.9790 CB :: 41.5200 CD1 :: 131.6640 CD2 :: 131.6640 CE1 :: 131.2900 CZ :: 129.3090 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 :: 8.2480 HA :: 4.9450 HB2 :: 3.1500 HB3 :: 2.7780 HD1 :: 7.1950 HD2 :: 7.1950 HE1 :: 7.2768 HZ :: 7.4300 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 :: 121.0950 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 :: 175.5440 CA :: 60.4900 CB :: 70.9000 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 :: 9.0840 HA :: 4.5410 HB :: 4.8400 HG21 :: 1.3270 HG22 :: 1.3270 HG23 :: 1.3270 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 :: 113.3490 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 :: 177.2140 CA :: 62.1060 CB :: 62.3050 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.1760 HA :: 4.1660 HB2 :: 3.9760 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 :: 116.7150 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 0.12 E 0.11 I 0.05 P 0.03 M 0.02 C Shift Assignments>> C :: 178.6770 CA :: 59.5000 CB :: 28.0550 CG :: 33.7030 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 :: 8.4140 HA :: 4.0400 HB2 :: 1.9540 HB3 :: 2.1380 HG2 :: 2.4300 HE21 :: 6.7690 HE22 :: 7.6850 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 :: 121.1120 NE2 :: 112.0940 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 0.26 Q 0.24 I 0.15 R 0.04 M 0.01 C Shift Assignments>> C :: 177.8430 CA :: 59.2820 CB :: 28.0950 CG :: 34.8620 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 :: 7.7720 HA :: 3.8500 HB2 :: 2.6300 HB3 :: 1.5990 HG2 :: 2.6350 HE21 :: 7.8120 HE22 :: 6.6410 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 :: 119.0690 NE2 :: 110.5680 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 :: 179.0290 CA :: 58.0360 CB :: 41.5780 CG :: 26.8500 CD1 :: 25.2090 CD2 :: 23.3050 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 :: 8.2280 HA :: 3.6070 HB2 :: 1.5440 HB3 :: 1.8180 HG :: 1.6860 HD11 :: 0.9360 HD12 :: 0.9360 HD13 :: 0.9360 HD21 :: 0.7570 HD22 :: 0.7570 HD23 :: 0.7570 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 :: 117.1090 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 0.32 E 0.17 R 0.08 I 0.05 M 0.02 C Shift Assignments>> C :: 179.1000 CA :: 59.1000 CB :: 28.5000 CG :: 34.0000 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 :: 8.0540 HA :: 3.9870 HB2 :: 2.1790 HG2 :: 2.3910 HG3 :: 2.4970 HE21 :: 6.8360 HE22 :: 7.4470 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 :: 118.0780 NE2 :: 111.6940 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 0.48 K 0.17 I 0.15 Q 0.11 M 0.06 C Shift Assignments>> C :: 179.9120 CA :: 58.5700 CB :: 29.5640 CG :: 35.7530 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 :: 7.7150 HA :: 4.1740 HB2 :: 2.0190 HB3 :: 1.8590 HG2 :: 2.2960 HG3 :: 2.2580 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 :: 120.0670 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 0.88 V 0.08 A 0.03 C Shift Assignments>> C :: 178.1330 CA :: 58.4000 CB :: 38.1560 CG :: 26.1470 CD1 :: 23.6520 CD2 :: 22.5290 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 :: 8.3730 HA :: 3.5570 HB2 :: -1.0650(S) HB3 :: 0.5310 HG :: 1.1850 HD11 :: -0.6310(S) HD12 :: -0.6310(S) HD13 :: -0.6310(S) HD21 :: 0.4260 HD22 :: 0.4260 HD23 :: 0.4260 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 :: 123.2260 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 0.29 K 0.29 E 0.25 I 0.06 R 0.04 M 0.04 C Shift Assignments>> C :: 178.9490 CA :: 58.9000 CB :: 29.0000 CG :: 34.4000 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 :: 8.0960 HA :: 4.3620 HB2 :: 1.9480 HB3 :: 2.1650 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 :: 119.3710 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 0.59 A 0.35 I 0.04 C Shift Assignments>> C :: 181.4260 CA :: 55.1670 CB :: 17.8400 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.9180 HA :: 4.1860 HB1 :: 1.5330 HB2 :: 1.5330 HB3 :: 1.5330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.6200 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 :: 176.1210 CA :: 67.0160 CB :: 68.3160 CG2 :: 21.8040 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 :: 7.9730 HA :: 4.0670 HB :: 4.5690 HG21 :: 1.4780 HG22 :: 1.4780 HG23 :: 1.4780 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 :: 113.7800 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>> Y 0.5 F 0.49 C Shift Assignments>> C :: 175.4700 CA :: 61.2260 CB :: 39.0030 CD1 :: 131.8070 CE1 :: 131.4690 CZ :: 129.8000 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 :: 8.8110 HA :: 4.3950 HB2 :: 3.2110 HB3 :: 3.3440 HD1 :: 7.1720 HE1 :: 7.2750 HZ :: 7.2600 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 :: 125.2630 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 0.34 R 0.14 E 0.11 M 0.03 I 0.01 C Shift Assignments>> C :: 177.3250 CA :: 57.4910 CB :: 28.1000 CG :: 33.6260 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 :: 7.7850 HA :: 3.7530 HB2 :: 2.0760 HB3 :: 2.2350 HG2 :: 2.6450 HG3 :: 2.7410 HE21 :: 7.8500 HE22 :: 6.9910 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 :: 111.9800 NE2 :: 113.3390 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 0.62 K 0.27 G 0.09 C Shift Assignments>> C :: 176.5160 CA :: 56.4260 CB :: 31.5790 CG :: 27.5000 CD :: 43.3230 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 :: 7.3360 HA :: 4.3030 HB2 :: 1.9240 HG2 :: 1.7680 HG3 :: 1.6470 HD2 :: 3.1950 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.4250 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 0.69 D 0.3 C Shift Assignments>> C :: 172.9050 CA :: 52.7920 CB :: 38.3720 CG :: 177.3750 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 :: 8.1580 HA :: 4.4720 HB2 :: 2.6820 HB3 :: 2.7690 HD21 :: 7.5380 HD22 :: 6.6200 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 :: 119.1900 ND2 :: 108.2710 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.61 K 0.34 G 0.03 C Shift Assignments>> C :: 175.4060 CA :: 57.4720 CB :: 30.9330 CG :: 27.3000 CD :: 42.6620 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 :: 8.3170 HA :: 3.7350 HB2 :: 0.8850 HB3 :: 1.1950 HG2 :: 0.8810 HG3 :: -0.1590(S) HD2 :: 1.7590(S) HE :: 6.3560 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.2950 NE :: 84.5550 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.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 55.2380 CB :: 39.3260 CD1 :: 133.4800 CE1 :: 118.2300 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 :: 7.6820 HA :: 4.5920 HB2 :: 3.1130 HB3 :: 2.5870 HD1 :: 7.0253 HE1 :: 6.8440 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 :: 113.7350 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 :: 177.5440 CA :: 62.9000 CB :: 30.9000 CG :: 25.8000 CD :: 50.5000 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 :: 4.4400 HB2 :: 1.3600 HB3 :: 1.5420 HG2 :: 1.0020 HG3 :: -0.0550(S) HD2 :: 2.9000 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 Y 0.05 K 0.05 R 0.01 C Shift Assignments>> C :: 175.6460 CA :: 52.7920 CB :: 40.7000 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 :: 8.4330 HA :: 4.4380 HB2 :: 2.8380 HB3 :: 3.2360 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 :: 124.7440 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 0.01 C Shift Assignments>> C :: 177.3960 CA :: 60.5350 CB :: 32.0220 CG :: 31.9580 CE :: 17.6690 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 :: 8.7290 HA :: 3.8140 HB2 :: 2.1210 HG2 :: 2.5600 HG3 :: 2.4070 HE1 :: 2.0330 HE2 :: 2.0330 HE3 :: 2.0330 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 :: 119.5810 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 :: 177.5550 CA :: 61.7790 CB :: 62.4940 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.3840 HA :: 4.2390 HB2 :: 3.8970 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 :: 113.1700 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 :: 176.5400 CA :: 67.1000 CB :: 67.6000 CG2 :: 21.0970 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 :: 8.3310 HA :: 4.0030 HB :: 4.1100 HG21 :: 1.1440 HG22 :: 1.1440 HG23 :: 1.1440 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 :: 120.5150 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>> G 0.42 R 0.39 K 0.17 C Shift Assignments>> C :: 178.5800 CA :: 61.0100 CB :: 31.9340 CG :: 29.7290 CD :: 43.6540 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 :: 9.0380 HA :: 3.8460 HB2 :: 2.4460 HB3 :: 1.5360 HG2 :: 2.1080 HG3 :: 0.6080(S) HD2 :: 2.7280 HD3 :: 3.3800 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.0160 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 0.47 E 0.43 K 0.05 M 0.01 Q 0.01 C Shift Assignments>> C :: 178.7760 CA :: 60.0520 CB :: 29.3840 CG :: 36.8060 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 :: 8.5600 HA :: 3.9460 HB2 :: 2.3060 HB3 :: 2.0310 HG2 :: 2.1970 HG3 :: 2.5590 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 :: 118.8270 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 0.09 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.8290 CA :: 59.5740 CB :: 29.3630 CG :: 36.4310 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 :: 7.5350 HA :: 3.9900 HB2 :: 2.2010 HB3 :: 2.0270 HG2 :: 2.0790 HG3 :: 2.3690 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 :: 120.8280 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 C Shift Assignments>> C :: 179.4870 CA :: 64.7520 CB :: 38.6760 CG1 :: 28.5250 CG2 :: 15.0200 CD1 :: 18.4850 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 :: 8.4070 HA :: 3.5790 HB :: 1.8670 HG12 :: 1.8960 HG13 :: 1.1320 HG21 :: 0.7970 HG22 :: 0.7970 HG23 :: 0.7970 HD11 :: 0.9150 HD12 :: 0.9150 HD13 :: 0.9150 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 :: 119.9350 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 0.71 A 0.2 I 0.07 C Shift Assignments>> C :: 178.7260 CA :: 55.7530 CB :: 17.0610 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.5600 HA :: 3.6430 HB1 :: 1.3420 HB2 :: 1.3420 HB3 :: 1.3420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.1710 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 :: 179.8700 CA :: 66.4730 CB :: 31.6900 CG1 :: 21.1950 CG2 :: 22.7850 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 :: 7.6890 HA :: 3.7880 HB :: 2.2390 HG11 :: 0.9560 HG12 :: 0.9560 HG13 :: 0.9560 HG21 :: 1.1450 HG22 :: 1.1450 HG23 :: 1.1450 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 :: 117.9570 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 :: 177.9450 CA :: 59.1840 CB :: 29.6640 CD1 :: 126.6000 CE3 :: 121.0000 CZ2 :: 114.6100 CZ3 :: 121.8900 CH2 :: 124.5400 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 :: 7.9900 HA :: 4.6220 HB2 :: 3.4600 HB3 :: 3.4000 HD1 :: 7.1400 HE1 :: 10.2100 HE3 :: 7.5500 HZ2 :: 7.4350 HZ3 :: 7.0810 HH2 :: 7.1550 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 :: 119.7830 NE1 :: 129.0570 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 :: 175.0100 CA :: 61.6160 CB :: 71.3350 CG2 :: 22.4040 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 :: 7.9540 HA :: 3.6180 HB :: 4.1960 HG21 :: 1.1300 HG22 :: 1.1300 HG23 :: 1.1300 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 105.0960 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 Y 0.18 E 0.18 F 0.1 D 0.06 M 0.06 I 0.02 K 0.02 L 0.01 HN Overlap>> 1.R61 1.R61 C Shift Assignments>> C :: 174.0060 CA :: 54.8300 CB :: 37.3160 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 :: 7.8830 HA :: 4.4940 HB2 :: 3.2070 HB3 :: 2.8400 HD21 :: 6.8510 HD22 :: 7.4940 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 :: 118.8690 ND2 :: 112.1500 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 0.76 L 0.18 A 0.04 C Shift Assignments>> C :: 175.7410 CA :: 53.0310 CB :: 46.8000 CD1 :: 24.0850 CD2 :: 26.1140 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 :: 8.4930 HA :: 4.9070 HB2 :: 1.3610 HB3 :: 1.6220 HG :: 1.3400 HD11 :: 0.9340 HD12 :: 0.9340 HD13 :: 0.9340 HD21 :: 0.7780 HD22 :: 0.7780 HD23 :: 0.7780 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 :: 119.7810 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 :: 175.8240 CA :: 59.2430 CB :: 71.2000 CG2 :: 22.2564 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 :: 6.9920 HA :: 4.6260 HB :: 4.8340 HG21 :: 1.2889 HG22 :: 1.2889 HG23 :: 1.2889 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 :: 106.5920 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 0.83 E 0.14 K 0.01 C Shift Assignments>> C :: 177.8630 CA :: 61.6870 CB :: 28.5790 CG :: 37.3500 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 :: 9.4570 HA :: 3.5970 HB2 :: 2.3500 HB3 :: 1.8980 HG2 :: 2.0780 HG3 :: 2.6070 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 :: 124.3540 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 0.61 A 0.3 I 0.05 V 0.01 HN Overlap>> 1.R55 1.R55 C Shift Assignments>> C :: 180.5580 CA :: 55.6560 CB :: 18.4050 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4570 HA :: 3.9520 HB1 :: 1.4550 HB2 :: 1.4550 HB3 :: 1.4550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.6330 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 0.23 G 0.09 C Shift Assignments>> C :: 179.7960 CA :: 58.9680 CB :: 30.8300 CG :: 27.7620 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 :: 7.6880 HA :: 4.2460 HB2 :: 1.9900 HB3 :: 2.0910 HG2 :: 1.7950 HG3 :: 1.9310 HD2 :: 3.2730 HD3 :: 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 :: 117.1530 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 :: 177.4740 CA :: 67.5180 CB :: 32.4670 CG1 :: 22.4280 CG2 :: 23.7700 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 :: 8.1810 HA :: 3.7330 HB :: 2.4270 HG11 :: 1.1500 HG12 :: 1.1500 HG13 :: 1.1500 HG21 :: 1.0350 HG22 :: 1.0350 HG23 :: 1.0350 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 :: 120.9750 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 0.61 G 0.31 K 0.06 C Shift Assignments>> C :: 179.3780 CA :: 60.7170 CB :: 30.5760 CG :: 26.1870 CD :: 43.7500 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 :: 9.3040 HA :: 3.9260 HB2 :: 2.2360 HB3 :: 2.0980 HG2 :: 1.5320 HG3 :: 1.6700 HD2 :: 3.3060 HE :: 9.4070(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 :: 120.9150 NE :: 81.0250 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 :: 177.2570 CA :: 66.5000 CB :: 32.2910 CG1 :: 23.3050 CG2 :: 21.3543 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 :: 7.9020 HA :: 3.7520 HB :: 2.2380 HG11 :: 1.1904 HG12 :: 1.1904 HG13 :: 1.1904 HG21 :: 1.0848 HG22 :: 1.0848 HG23 :: 1.0848 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 :: 119.1650 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 :: 179.7900 CA :: 63.5590 CB :: 28.6540 CD1 :: 127.0000 CZ2 :: 113.8840 CH2 :: 123.4500 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 :: 8.3860 HA :: 4.0060 HB2 :: 3.4700 HB3 :: 3.2770 HD1 :: 6.6000 HE1 :: 9.1920 HE3 :: 5.5000 HZ2 :: 7.1570 HZ3 :: 6.5100 HH2 :: 6.4500 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 :: 121.9670 NE1 :: 128.1790 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>> Y 0.57 F 0.42 C Shift Assignments>> C :: 177.7400 CA :: 63.7630 CB :: 39.2660 CD1 :: 132.0400 CE1 :: 132.0400 CZ :: 129.9800 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 :: 8.9790 HA :: 3.7240 HB2 :: 3.2740 HD1 :: 7.7815 HE1 :: 7.5874 HZ :: 7.4310 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 :: 117.7830 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 0.7 R 0.24 M 0.03 G 0.02 HN Overlap>> 1.F64 1.F64 C Shift Assignments>> C :: 179.9200 CA :: 60.5150 CB :: 32.4750 CG :: 24.9170 CD :: 29.6580 CE :: 42.0290 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 :: 7.9370 HA :: 3.9820 HB2 :: 2.0460 HB3 :: 1.9640 HG2 :: 1.7130 HG3 :: 1.4780 HD2 :: 1.7840 HD3 :: 1.7170 HE2 :: 3.0460 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 :: 120.3100 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 N 0.22 F 0.16 E 0.16 D 0.08 I 0.04 M 0.04 L 0.02 K 0.01 C Shift Assignments>> C :: 177.5490 CA :: 55.5550 CB :: 37.7900 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 :: 8.2850 HA :: 4.3590 HB2 :: 2.5010 HB3 :: 2.6620 HD21 :: 7.5100 HD22 :: 6.9730 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 :: 119.1550 ND2 :: 112.7580 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 0.55 K 0.43 R 0.01 C Shift Assignments>> C :: 179.9650 CA :: 56.4710 CB :: 27.7710 CG :: 24.1010 CD :: 40.4420 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 :: 8.4530 HA :: 3.5120 HB2 :: -0.5440(A) HB3 :: 0.6860(S) HG2 :: -0.6120(S) HG3 :: -0.2250(S) HD2 :: 2.4190 HD3 :: 2.0840(S) HE :: 9.8919(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 :: 124.0650 NE :: 89.4890 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 0.86 R 0.1 K 0.03 HN Overlap>> 1.A45 1.A45 C Shift Assignments>> C :: 178.1570 CA :: 60.8850 CB :: 31.6000 CG :: 31.5850 CD :: 43.9110 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 :: 4.2780 HB2 :: 2.3500 HG2 :: 1.8940 HG3 :: 1.9350 HD2 :: 2.7190 HD3 :: 2.7460 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 :: 119.6250 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 0.6 A 0.34 I 0.04 C Shift Assignments>> C :: 179.8940 CA :: 55.1670 CB :: 17.7100 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.4760 HA :: 4.1870 HB1 :: 1.5320 HB2 :: 1.5320 HB3 :: 1.5320 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.5920 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 0.67 R 0.26 M 0.04 G 0.01 C Shift Assignments>> C :: 178.1770 CA :: 58.8800 CB :: 32.7280 CG :: 24.9370 CD :: 29.3880 CE :: 42.0210 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 :: 7.4480 HA :: 4.0240 HB2 :: 1.7770 HG2 :: 1.3010 HG3 :: 1.4380 HD2 :: 1.5140 HE2 :: 2.8430 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 :: 118.3450 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 0.94 H 0.05 C Shift Assignments>> C :: 177.7070 CA :: 59.3260 CB :: 29.4280 CD1 :: 127.4320 CE3 :: 119.8500 CZ2 :: 114.8500 CZ3 :: 121.8000 CH2 :: 124.7500 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 :: 8.0820 HA :: 4.6170 HB2 :: 3.7750 HB3 :: 3.3700 HD1 :: 7.4710 HE1 :: 10.3110 HE3 :: 7.6850 HZ2 :: 7.4900 HZ3 :: 7.1710 HH2 :: 7.2830 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 :: 121.3380 NE1 :: 130.5870 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 0.64 K 0.2 G 0.14 HN Overlap>> 1.T67 1.T67 C Shift Assignments>> C :: 177.3830 CA :: 58.1000 CB :: 30.7340 CG :: 28.3100 CD :: 43.5370 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 :: 8.3250 HA :: 3.7750 HB2 :: 1.8390 HG2 :: 1.5590 HG3 :: 1.8500 HD2 :: 3.2000 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 :: 118.4720 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 0.62 R 0.3 M 0.05 G 0.01 C Shift Assignments>> C :: 177.0210 CA :: 57.1430 CB :: 32.6670 CG :: 24.9110 CD :: 29.2040 CE :: 42.1340 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 :: 7.6070 HA :: 4.1550 HB2 :: 1.7960 HB3 :: 1.8950 HG2 :: 1.4280 HG3 :: 1.5160 HD2 :: 1.6870 HE2 :: 2.9650 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 :: 118.7360 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 0.71 K 0.16 G 0.09 L 0.02 HN Overlap>> 1.N41 1.N41 C Shift Assignments>> C :: 176.5340 CA :: 56.3510 CB :: 30.3330 CG :: 26.9920 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 :: 7.8850 HA :: 4.2200 HB2 :: 1.8430 HG2 :: 1.5680 HD2 :: 3.0400 HD3 :: 3.0810 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 :: 118.9710 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 0.58 M 0.13 K 0.12 I 0.09 Q 0.06 C Shift Assignments>> C :: 176.4410 CA :: 56.7960 CB :: 30.1270 CG :: 36.4000 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 :: 8.1900 HA :: 4.1270 HB2 :: 1.7530 HB3 :: 1.8720 HG2 :: 2.0150 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 :: 120.1440 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 0.57 M 0.14 K 0.11 I 0.08 Q 0.06 C Shift Assignments>> C :: 175.8980 CA :: 56.8730 CB :: 30.2490 CG :: 36.3440 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 :: 8.0840 HA :: 4.0770 HB2 :: 1.7530 HB3 :: 1.8720 HG2 :: 2.0150 HG3 :: 2.1360 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 :: 120.5320 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>> Y 0.32 F 0.31 I 0.1 D 0.09 L 0.07 N 0.03 E 0.02 K 0.02 HN Overlap>> 1.K52 1.K52 C Shift Assignments>> C :: 175.0860 CA :: 57.4470 CB :: 39.4950 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 :: 8.0100 HA :: 4.6140 HB2 :: 3.1060 HB3 :: 2.9780 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 :: 120.3050 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 :: 175.6340 CA :: 60.7560 CB :: 38.8230 CG1 :: 27.2990 CG2 :: 17.3620 CD1 :: 12.7050 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 :: 7.9240 HA :: 4.1410 HB :: 1.7670 HG12 :: 1.1220 HG13 :: 1.4260 HG21 :: 0.8310 HG22 :: 0.8310 HG23 :: 0.8310 HD11 :: 0.8190 HD12 :: 0.8190 HD13 :: 0.8190 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 :: 123.5650 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 0.99 C Shift Assignments>> C :: 176.2130 CA :: 62.3100 CB :: 32.8170 CG1 :: 21.0660 CG2 :: 21.0660 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 :: 8.2920 HA :: 4.1670 HB :: 2.0700 HG11 :: 0.9720 HG12 :: 0.9720 HG13 :: 0.9720 HG21 :: 0.9720 HG22 :: 0.9720 HG23 :: 0.9720 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 :: 125.6640 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 HN Overlap>> 1.R59 1.R59 C Shift Assignments>> C :: 173.4820 CA :: 61.2000 CB :: 70.1560 CG2 :: 21.3400 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 :: 8.2880 HA :: 4.4180 HB :: 4.2860 HG21 :: 1.1790 HG22 :: 1.1790 HG23 :: 1.1790 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 :: 118.5570 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 :: 55.9820 CB :: 42.3030 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 :: 7.9690 HA :: 4.3570 HB2 :: 2.6730 HB3 :: 2.5640 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 :: 128.2600 Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 62 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #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: 306 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 440 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 1 N Shift Results: #Consistent: 79 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L18 HB2 = -1.0650(S), Expected = 1.63, Std = 0.3400, ChiSquare = 2.2546e-15 1.L18 HD11 = -0.6310(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.1155e-07 1.L18 HD12 = -0.6310(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.1155e-07 1.L18 HD13 = -0.6310(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.1155e-07 1.R26 HG3 = -0.1590(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.1889e-10 1.R26 HD2 = 1.7590(S), Expected = 3.13, Std = 0.2300, ChiSquare = 2.5090e-09 1.P28 HG3 = -0.0550(S), Expected = 1.92, Std = 0.3700, ChiSquare = 9.4062e-08 1.R33 HG3 = 0.6080(S), Expected = 1.58, Std = 0.2700, ChiSquare = 3.1822e-04 1.R48 HE = 9.4070(S), Expected = 7.32, Std = 0.5200, ChiSquare = 5.9835e-05 1.R54 HB2 = -0.5440(A), Expected = 1.79, Std = 0.2800, ChiSquare = 7.7032e-17 1.R54 HB3 = 0.6860(S), Expected = 1.78, Std = 0.2800, ChiSquare = 9.3394e-05 1.R54 HG2 = -0.6120(S), Expected = 1.58, Std = 0.2700, ChiSquare = 4.7191e-16 1.R54 HG3 = -0.2250(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.3063e-11 1.R54 HD3 = 2.0840(S), Expected = 3.13, Std = 0.2200, ChiSquare = 1.9889e-06 1.R54 HE = 9.8919(S), Expected = 7.32, Std = 0.5200, ChiSquare = 7.5769e-07