Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.34 Q 0.14 K 0.01 C Shift Assignments>> C :: 175.9640 CA :: 55.4210 CB :: 32.7020 CG :: 32.1090 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.4660 HB2 :: 1.9720 HB3 :: 2.0660 HG2 :: 2.4550 HG3 :: 2.5240 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.3620 Ave N Shift Values>> N :: 120.09(3.57) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.33 HN Overlap>> 1.E58 1.K122 1.E58 1.K122 C Shift Assignments>> C :: 175.5970 CA :: 62.2130 CB :: 32.8110 CG1 :: 20.8920 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1470 HA :: 4.1100 HB :: 2.0740 HG11 :: 0.9370 HG12 :: 0.9370 HG13 :: 0.9370 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.2260 Ave N Shift Values>> N :: 121.14(4.54) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.21 N 0.13 F 0.09 K 0.08 Y 0.06 C 0.05 C Shift Assignments>> C :: 176.4300 CA :: 54.0510 CB :: 41.0080 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4170 HA :: 4.6490 HB2 :: 2.6180 HB3 :: 2.7880 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.1170 Ave N Shift Values>> N :: 120.65(3.86) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 R 0.04 A 0.01 G 0.01 HN Overlap>> 1.K57 1.K57 C Shift Assignments>> C :: 177.9160 CA :: 55.7110 CB :: 42.1970 CG :: 26.9730 CD1 :: 25.1250 CD2 :: 23.3600 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3040 HA :: 4.2810 HB2 :: 1.6440 HB3 :: 1.7160 HG :: 1.6800 HD11 :: 0.9410 HD12 :: 0.9410 HD13 :: 0.9410 HD21 :: 0.8760 HD22 :: 0.8760 HD23 :: 0.8760 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.3090 Ave N Shift Values>> N :: 121.86(3.9) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 K 0.09 I 0.06 Q 0.05 M 0.04 C Shift Assignments>> C :: 176.8660 CA :: 57.1250 CB :: 29.5840 CG :: 36.3190 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.4030 HA :: 4.2620 HB2 :: 2.0810 HB3 :: 2.0970 HG2 :: 2.2860 HG3 :: 2.3500 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.4970 Ave N Shift Values>> N :: 120.67(3.48) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.47 C 0.14 H 0.09 R 0.07 W 0.06 M 0.05 Q 0.05 K 0.02 E 0.01 C Shift Assignments>> C :: 175.8380 CA :: 51.0370 CB :: 30.1840 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1020 HA :: 4.2740 HB3 :: 2.0960 HG3 :: 2.3220 HE21 :: 7.6160 HE22 :: 6.8840 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.4640 NE2 :: 113.9670 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.32 M 0.1 Q 0.08 K 0.07 I 0.02 HN Overlap>> 1.I44 1.I44 C Shift Assignments>> C :: 175.9410 CA :: 56.9320 CB :: 30.2370 CG :: 36.0110 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1960 HA :: 4.1200 HB3 :: 1.7130 HG2 :: 1.9670 HG3 :: 2.0810 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.5380 Ave N Shift Values>> N :: 120.67(3.48) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.34 C 0.27 C Shift Assignments>> C :: 174.0820 CA :: 56.7900 CB :: 39.5320 CD1 :: 131.1260 CE1 :: 129.2080 CZ :: 131.0590 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.9560 HA :: 4.7370 HB2 :: 2.9030 HB3 :: 2.8170 HD1 :: 7.1190 HE1 :: 6.9550 HZ :: 7.0260 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.9580 Ave N Shift Values>> N :: 120.45(4.18) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 L 0.15 C 0.08 C Shift Assignments>> C :: 177.0340 CA :: 50.4100 CB :: 21.8900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0970 HA :: 4.6430 HB1 :: 1.3900 HB2 :: 1.3900 HB3 :: 1.3900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.0990 Ave N Shift Values>> N :: 123.23(3.54) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.35 C Shift Assignments>> C :: 178.3900 CA :: 56.7900 CB :: 41.6890 CG :: 26.5890 CD1 :: 24.4310 CD2 :: 24.4310 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.6450 HA :: 3.8280 HB2 :: 1.5070 HB3 :: 1.7080 HG :: 1.6740 HD11 :: 0.8750 HD12 :: 0.8750 HD13 :: 0.8750 HD21 :: 0.8550 HD22 :: 0.8550 HD23 :: 0.8550 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.5250 Ave N Shift Values>> N :: 121.86(3.9) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.9850 CA :: 45.4640 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8830 HA2 :: 3.6500 HA3 :: 4.2780 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.3750 Ave N Shift Values>> N :: 109.67(3.87) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.5190 CA :: 45.7430 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6720 HA2 :: 3.9980 HA3 :: 4.2150 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1850 Ave N Shift Values>> N :: 109.67(3.87) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 K 0.14 G 0.05 HN Overlap>> 1.K78 1.K78 C Shift Assignments>> C :: 176.3110 CA :: 55.3510 CB :: 32.3410 CG :: 26.5890 CD :: 43.1270 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.3690 HA :: 5.0580 HB2 :: 1.5720 HB3 :: 1.6450 HG2 :: 1.4330 HG3 :: 1.6130 HD2 :: 2.4620 HD3 :: 2.6020 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.4390 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.15 C 0.13 W 0.12 E 0.12 Q 0.1 M 0.1 K 0.08 C Shift Assignments>> C :: 171.3200 CA :: 56.4300 CB :: 30.8520 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.7960 HA :: 5.0220 HB3 :: 3.0350 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.2610 Ave N Shift Values>> N :: 120.17(4.64) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.2 L 0.18 A 0.01 C Shift Assignments>> C :: 174.7980 CA :: 53.1800 CB :: 46.0030 CG :: 27.6280 CD1 :: 26.6580 CD2 :: 24.4310 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.8030 HA :: 5.1870 HB2 :: 0.9910 HB3 :: 1.3740 HG :: 1.5040 HD11 :: 0.6830 HD12 :: 0.6830 HD13 :: 0.6830 HD21 :: 0.7800 HD22 :: 0.7800 HD23 :: 0.7800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.0800 Ave N Shift Values>> N :: 121.86(3.9) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 A 0.34 C 0.19 K 0.03 P 0.01 HN Overlap>> 1.E27 1.E27 C Shift Assignments>> C :: 177.4720 CA :: 50.1830 CB :: 23.0860 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1540 HA :: 5.4100 HB1 :: 1.0980 HB2 :: 1.0980 HB3 :: 1.0980 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2880 Ave N Shift Values>> N :: 123.23(3.54) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.41 C 0.17 C Shift Assignments>> C :: 176.9940 CA :: 58.9470 CB :: 40.4350 CD1 :: 132.1450 CE1 :: 130.1110 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.8700 HA :: 5.0210 HB2 :: 2.7590 HB3 :: 3.3350 HD1 :: 7.1880 HE1 :: 7.1960 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.9770 Ave N Shift Values>> N :: 120.45(4.18) 1.H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 H 0.34 C 0.31 C Shift Assignments>> C :: 175.4880 CA :: 57.5090 CB :: 30.1840 CD2 :: 121.2370 CE1 :: 137.8390 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.8620 HA :: 4.6370 HB2 :: 2.8610 HB3 :: 3.2590 HD2 :: 6.9380 HE1 :: 7.8990 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.5610 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.9190 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 119.1410 Ave N Shift Values>> N :: 109.67(3.87) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.92 P 0.06 C Shift Assignments>> C :: 175.4830 CA :: 63.2610 CB :: 34.4990 CG :: 24.4310 CD :: 49.8040 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.6200 HB2 :: 2.1970 HB3 :: 2.3730 HG2 :: 1.8840 HG3 :: 1.9830 HD2 :: 3.5000 HD3 :: 3.6280 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.27 C 0.14 A 0.06 R 0.02 C Shift Assignments>> C :: 174.3680 CA :: 53.1940 CB :: 44.2050 CG :: 27.3080 CD1 :: 25.1510 CD2 :: 22.9930 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.0250 HA :: 4.6560 HB2 :: 1.7760 HB3 :: 1.2080 HG :: 1.5970 HD11 :: 0.9650 HD12 :: 0.9650 HD13 :: 0.9650 HD21 :: 0.8310 HD22 :: 0.8310 HD23 :: 0.8310 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.0590 Ave N Shift Values>> N :: 121.86(3.9) 1.M25 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 175.0540 CA :: 53.9130 CB :: 38.0940 CG :: 38.0940(S) CE :: 31.6220(S) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.7610 HA :: 4.5850 HB3 :: 1.2400 HG3 :: 1.3380 HE1 :: 0.7120 HE2 :: 0.7120 HE3 :: 0.7120 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 115.9420 Ave N Shift Values>> N :: 120.09(3.57) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.34 G 0.04 C Shift Assignments>> C :: 175.2980 CA :: 56.7900 CB :: 42.4080 CD1 :: 134.1660 CE1 :: 118.4860 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.7330 HA :: 4.5540 HB2 :: 2.4570 HB3 :: 3.2420 HD1 :: 7.1660 HE1 :: 7.0220 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.5430 Ave N Shift Values>> N :: 120.52(4.2) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.34 I 0.16 K 0.02 M 0.02 HN Overlap>> 1.A19 1.A19 C Shift Assignments>> C :: 175.4520 CA :: 58.4080 CB :: 29.8240 CG :: 37.3750 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.0700 HA :: 4.5790 HB2 :: 2.0280 HB3 :: 2.1170 HG2 :: 2.2760 HG3 :: 2.3870 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.2840 Ave N Shift Values>> N :: 120.67(3.48) 1.A28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.66 L 0.16 C 0.09 K 0.03 R 0.01 C Shift Assignments>> C :: 175.0280 CA :: 50.3180 CB :: 25.1510(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8950 HA :: 5.0910 HB1 :: 0.7610 HB2 :: 0.7610 HB3 :: 0.7610 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.1360 Ave N Shift Values>> N :: 123.23(3.54) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.35 R 0.11 C Shift Assignments>> CA :: 53.9130 CB :: 36.6560 CG :: 25.1510 CD :: 28.7460 CE :: 41.6890 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.6330 HA :: 5.1460 HB2 :: 1.5350 HB3 :: 1.6730 HG2 :: 1.0790 HG3 :: 1.2350 HD3 :: 1.6120 HE2 :: 2.8070 HE3 :: 2.8990 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.9910 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.3940 CA :: 62.5420 CB :: 38.5730 CG1 :: 29.5110 CG2 :: 19.3980 CD1 :: 14.3650 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.4320 HA :: 3.9010 HB :: 2.0880 HG13 :: 1.6160 HG21 :: 0.9970 HG22 :: 0.9970 HG23 :: 0.9970 HD11 :: 0.7200 HD12 :: 0.7200 HD13 :: 0.7200 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.0740 Ave N Shift Values>> N :: 121.46(4.28) 1.L31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 L 0.4 A 0.06 C Shift Assignments>> C :: 177.0000 CA :: 56.0710 CB :: 38.8130 CG :: 27.3080 CD1 :: 25.1510 CD2 :: 22.2740 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.4310 HA :: 4.6590 HB3 :: -0.0190(S) HG :: 1.6850 HD11 :: 0.8520 HD12 :: 0.8520 HD13 :: 0.8520 HD21 :: 0.7710 HD22 :: 0.7710 HD23 :: 0.7710 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.0400 Ave N Shift Values>> N :: 121.86(3.9) 1.K32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.58 R 0.36 K 0.03 C Shift Assignments>> C :: 176.1130 CA :: 54.6320 CB :: 38.0940 CG :: 26.5890 CD :: 28.7460 CE :: 41.6890 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6780 HA :: 5.6360 HB2 :: 1.3360 HB3 :: 1.7810 HG3 :: 1.7000 HD2 :: 0.2110(S) HD3 :: 0.4780(S) HE2 :: 2.1400(S) HE3 :: 2.4670 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.2300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 175.6600 CA :: 61.8230 CB :: 41.6890 CG1 :: 28.0270 CG2 :: 17.2410 CD1 :: 13.6460 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.5940 HA :: 4.8510 HB :: 1.7550 HG12 :: 1.2080 HG13 :: 1.6020 HG21 :: 0.8360 HG22 :: 0.8360 HG23 :: 0.8360 HD11 :: 1.0260 HD12 :: 1.0260 HD13 :: 1.0260 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.4520 Ave N Shift Values>> N :: 121.46(4.28) 1.W34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 W 0.44 C Shift Assignments>> C :: 173.1530 CA :: 56.7900 CB :: 32.3420 CD1 :: 129.0440 CE3 :: 120.9710 CZ2 :: 114.8740 CZ3 :: 121.2150 CH2 :: 124.0050 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.3050 HA :: 4.9690 HB3 :: 3.0200 HD1 :: 7.4310 HE1 :: 10.3850 HE3 :: 7.1880 HZ2 :: 7.2090 HZ3 :: 7.0140 HH2 :: 6.9600 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 132.3640 NE1 :: 129.8240 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 D 0.18 L 0.11 C 0.08 N 0.07 R 0.03 K 0.01 F 0.01 C Shift Assignments>> CA :: 48.8800 CB :: 42.4080 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9490 HA :: 5.0280 HB2 :: 2.4110 HB3 :: 2.9720 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.4620 Ave N Shift Values>> N :: 120.65(3.86) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.5030 CA :: 63.2610 CB :: 32.3410 CD :: 50.3180 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.8550 HB3 :: 2.4270 HG2 :: 1.6700 HG3 :: 1.8950 HD2 :: 3.3930 HD3 :: 4.0060 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2880 CA :: 60.3850 CB :: 62.5420 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0340 HA :: 4.2890 HB3 :: 3.9170 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.8020 Ave N Shift Values>> N :: 116.28(3.52) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4860 CA :: 57.5090 CB :: 63.9800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.1890 HA :: 4.2320 HB2 :: 3.6140 HB3 :: 3.7200 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.5500 Ave N Shift Values>> N :: 116.28(3.52) 1.K39 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 R 0.32 G 0.02 C Shift Assignments>> C :: 174.7440 CA :: 56.7900 CB :: 51.0370(A) CG :: 25.1500 CD :: 29.4650 CE :: 42.4080 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6300 HA :: 2.6520(S) HB2 :: 1.8720 HB3 :: 2.0020 HG2 :: 1.2270 HG3 :: 1.3010 HD3 :: 1.7600 HE3 :: 3.0920 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.8600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE3 : 0.9935) (CE > CB : 0.9990) 1.M40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 K 0.03 M 0.03 C Shift Assignments>> C :: 175.1020 CA :: 54.2720 CB :: 39.5320 CG :: 33.0610 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 6.7100 HA :: 4.8000 HB3 :: 1.5850 HG3 :: 2.4570 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.3500 Ave N Shift Values>> N :: 120.09(3.57) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.46 C 0.28 G 0.24 C Shift Assignments>> C :: 174.9010 CA :: 54.6320 CB :: 43.1270 CD1 :: 133.7830 CE1 :: 118.6990 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.3270 HA :: 6.3120 HB2 :: 3.2060 HB3 :: 3.4560 HD1 :: 6.9770 HE1 :: 6.8180 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.9100 Ave N Shift Values>> N :: 120.52(4.2) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 C 0.38 C Shift Assignments>> C :: 174.2490 CA :: 59.6660 CB :: 70.4510 CG2 :: 22.9930 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.7630 HA :: 4.8780 HB :: 4.1780 HG21 :: 1.2180 HG22 :: 1.2180 HG23 :: 1.2180 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.9380 Ave N Shift Values>> N :: 115.42(4.75) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.04 C Shift Assignments>> C :: 173.4850 CA :: 56.7900 CB :: 66.1370 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2820 HA :: 5.5170 HB3 :: 3.9040 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.1910 Ave N Shift Values>> N :: 116.28(3.52) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 HN Overlap>> 1.E10 1.E10 1.I82 1.I82 C Shift Assignments>> CA :: 59.6540 CB :: 38.8130 CG1 :: 26.5890 CG2 :: 17.9600 CD1 :: 14.3650 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.2580 HA :: 4.5270 HB :: 1.9760 HG12 :: 1.3090 HG13 :: 1.6950 HG21 :: 1.0940 HG22 :: 1.0940 HG23 :: 1.0940 HD11 :: 0.9730 HD12 :: 0.9730 HD13 :: 0.9730 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.5570 Ave N Shift Values>> N :: 121.46(4.28) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.6000 CA :: 63.2610 CB :: 32.3410 CG :: 27.3080 CD :: 51.0370 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.5110 HB2 :: 1.9690 HB3 :: 2.3480 HG2 :: 2.0270 HG3 :: 2.0890 HD2 :: 3.7240 HD3 :: 3.9320 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.17 C 0.09 Y 0.07 F 0.07 L 0.04 C Shift Assignments>> C :: 174.9060 CA :: 53.1940 CB :: 38.8130 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.5940 HA :: 4.6760 HB2 :: 2.7330 HB3 :: 2.8140 HD21 :: 7.6320 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.8330 ND2 :: 113.7900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.2 N 0.14 F 0.08 K 0.07 Y 0.06 C 0.05 C Shift Assignments>> C :: 175.7270 CA :: 53.9130 CB :: 40.9700 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.3030 HA :: 4.5880 HB3 :: 2.6310 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.7910 Ave N Shift Values>> N :: 120.65(3.86) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.27 R 0.18 G 0.01 C Shift Assignments>> C :: 174.4650 CA :: 53.9130 CB :: 32.3410 CG :: 24.4310 CD :: 28.7460 CE :: 42.2840 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2040 HA :: 4.6290 HB2 :: 1.7270 HB3 :: 1.8230 HG3 :: 1.4530 HD3 :: 1.6930 HE3 :: 3.0090 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.2080 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.7070 CA :: 63.2610 CB :: 31.6220 CG :: 27.3080 CD :: 50.3180 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4160 HB2 :: 1.9310 HB3 :: 2.2990 HG2 :: 2.0060 HG3 :: 2.0640 HD2 :: 3.6380 HD3 :: 3.8230 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.9180 CA :: 45.2840 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6300 HA2 :: 3.9060 HA3 :: 4.0580 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.5410 Ave N Shift Values>> N :: 109.67(3.87) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.3470 CA :: 45.2290 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3060 HA2 :: 3.8970 HA3 :: 4.0550 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1100 Ave N Shift Values>> N :: 109.67(3.87) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0820 CA :: 58.2280 CB :: 63.2610 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3760 HA :: 4.5420 HB2 :: 3.8980 HB3 :: 3.9580 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.8670 Ave N Shift Values>> N :: 116.28(3.52) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7260 CA :: 58.2280 CB :: 63.9800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5010 HA :: 4.5080 HB3 :: 3.8470 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.2240 Ave N Shift Values>> N :: 116.28(3.52) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.07 M 0.07 R 0.02 HN Overlap>> 1.K111 1.K111 C Shift Assignments>> C :: 175.7910 CA :: 56.0710 CB :: 29.4650 CG :: 33.7800 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.4070 HA :: 4.3590 HB2 :: 1.9890 HB3 :: 2.1710 HG3 :: 2.3920 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.9890 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.01 C Shift Assignments>> C :: 178.0550 CA :: 53.1940 CB :: 18.6790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2960 HA :: 4.3630 HB1 :: 1.4410 HB2 :: 1.4410 HB3 :: 1.4410 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.8250 Ave N Shift Values>> N :: 123.23(3.54) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.5910 CA :: 61.8230 CB :: 69.7320 CG2 :: 21.5550 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1480 HA :: 4.3300 HB :: 4.2800 HG21 :: 1.2560 HG22 :: 1.2560 HG23 :: 1.2560 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.6890 Ave N Shift Values>> N :: 115.42(4.75) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.4 R 0.09 HN Overlap>> 1.L7 1.L7 C Shift Assignments>> C :: 176.1650 CA :: 56.0710 CB :: 33.0610 CG :: 24.4310 CD :: 28.7460 CE :: 41.6890 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.3040 HA :: 4.3680 HB2 :: 1.8160 HB3 :: 1.8940 HG3 :: 1.4750 HD3 :: 1.7310 HE3 :: 3.0160 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.3090 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.31 M 0.19 Q 0.07 K 0.03 HN Overlap>> 1.K122 1.V5 1.K122 1.V5 C Shift Assignments>> C :: 175.7380 CA :: 56.0710 CB :: 30.9030 CG :: 35.9370 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2280 HA :: 4.3260 HB2 :: 1.9540 HB3 :: 1.9840 HG2 :: 2.2000 HG3 :: 2.2710 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.2480 Ave N Shift Values>> N :: 120.67(3.48) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.7560 CA :: 61.1040 CB :: 38.0940 CG1 :: 27.3080 CG2 :: 17.9600 CD1 :: 12.9270 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.4040 HA :: 4.1770 HB :: 1.8780 HG12 :: 1.2200 HG13 :: 1.6030 HG21 :: 0.9720 HG22 :: 0.9720 HG23 :: 0.9720 HD11 :: 0.9180 HD12 :: 0.9180 HD13 :: 0.9180 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.9150 Ave N Shift Values>> N :: 121.46(4.28) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.27 R 0.13 G 0.01 A 0.01 C Shift Assignments>> C :: 174.0370 CA :: 53.1940 CB :: 33.0610 CG :: 24.4310 CD :: 28.7460 CE :: 42.2840 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5510 HA :: 4.8040 HB2 :: 1.7240 HB3 :: 1.8500 HG3 :: 1.4710 HD3 :: 1.6980 HE3 :: 2.9990 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.4590 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 175.5360 CA :: 62.5420 CB :: 32.3410 CG :: 27.3080 CD :: 50.3180 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.6730 HB2 :: 1.8560 HB3 :: 2.1000 HG2 :: 1.8440 HG3 :: 1.9770 HD2 :: 3.6020 HD3 :: 3.9000 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.44 Q 0.05 E 0.01 C Shift Assignments>> C :: 173.6110 CA :: 53.9130 CB :: 33.7800 CG :: 33.7800 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.0870 HA :: 4.6580 HB2 :: 1.8680 HB3 :: 1.5950 HG2 :: 1.9220 HG3 :: 2.0120 HE21 :: 7.5980 HE22 :: 6.9240 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.7380 NE2 :: 114.3010 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.36 R 0.09 C Shift Assignments>> C :: 176.7060 CA :: 55.3510 CB :: 33.0610 CG :: 24.4310 CD :: 28.7460 CE :: 41.6890 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2570 HA :: 4.5820 HB3 :: 1.9760 HG3 :: 1.5670 HD3 :: 1.7770 HE3 :: 3.0710 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.7160 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.3 R 0.04 A 0.01 G 0.01 C Shift Assignments>> C :: 178.7500 CA :: 56.0710 CB :: 42.4080 CG :: 26.5890 CD1 :: 25.1510 CD2 :: 22.9930 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.9900 HA :: 4.3410 HB2 :: 1.7350 HB3 :: 1.5880 HG :: 1.9430 HD11 :: 0.5390 HD12 :: 0.5390 HD13 :: 0.5390 HD21 :: 0.5820 HD22 :: 0.5820 HD23 :: 0.5820 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.5610 Ave N Shift Values>> N :: 121.86(3.9) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.3 G 0.19 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.6150 CA :: 43.8460 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.3920 HA2 :: 3.9170 HA3 :: 4.2760 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.2950 Ave N Shift Values>> N :: 109.67(3.87) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 I 0.22 K 0.05 Q 0.01 HN Overlap>> 1.K88 1.K88 1.N107 1.N107 C Shift Assignments>> C :: 176.8840 CA :: 58.9470 CB :: 28.7460 CG :: 36.6640 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.7470 HA :: 4.0890 HB3 :: 2.0080 HG3 :: 2.3420 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.8310 Ave N Shift Values>> N :: 120.67(3.48) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.17 C 0.09 Y 0.07 F 0.07 L 0.04 C Shift Assignments>> C :: 175.2830 CA :: 53.1940 CB :: 38.8130 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.7000 HA :: 4.6700 HB2 :: 2.7330 HB3 :: 2.8280 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.3650 Ave N Shift Values>> N :: 120.65(3.86) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.25 E 0.19 C Shift Assignments>> C :: 174.5730 CA :: 55.3510 CB :: 33.0610 CG :: 36.6560 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.5290 HA :: 4.6200 HB2 :: 2.0380 HB3 :: 1.9680 HG2 :: 2.0870 HG3 :: 2.2390 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.8650 Ave N Shift Values>> N :: 120.67(3.48) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.2130 CA :: 57.5090 CB :: 64.6990 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1420 HA :: 4.4470 HB2 :: 3.5950 HB3 :: 3.6590 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.9480 Ave N Shift Values>> N :: 116.28(3.52) 1.I70 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.71 I 0.26 A 0.02 C Shift Assignments>> C :: 173.3960 CA :: 58.2280 CB :: 40.2510 CG1 :: 25.1510 CG2 :: 16.5220 CD1 :: 10.7700 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.5040 HA :: 3.9220 HB :: 0.4850(S) HG12 :: -1.7000(S) HG13 :: 0.0540 HG21 :: 0.1510 HG22 :: 0.1510 HG23 :: 0.1510 HD11 :: -1.8250(A) HD12 :: -1.8250(A) HD13 :: -1.8250(A) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.8390 Ave N Shift Values>> N :: 121.46(4.28) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.4260 CA :: 63.9800 CB :: 33.0610 CG :: 27.3080 CD :: 50.7970 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.2530 HB2 :: 1.8900 HB3 :: 2.5800 HG2 :: 2.1240 HG3 :: 2.2560 HD2 :: 3.9690 HD3 :: 3.3260 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.34 I 0.11 K 0.09 Q 0.06 M 0.02 C Shift Assignments>> C :: 177.6410 CA :: 58.9470 CB :: 29.4650 CG :: 35.9370 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.8370 HA :: 3.8270 HB2 :: 2.0090 HB3 :: 2.0580 HG3 :: 2.3360 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.2690 Ave N Shift Values>> N :: 120.67(3.48) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.16 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> C :: 177.4390 CA :: 58.9470 CB :: 29.4650 CG :: 36.6560 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.2620 HA :: 4.1270 HB2 :: 2.0500 HB3 :: 2.1100 HG3 :: 2.3600 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.0070 Ave N Shift Values>> N :: 120.67(3.48) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 177.3070 CA :: 61.1040 CB :: 39.5320 CG1 :: 26.5890 CG2 :: 17.9600 CD1 :: 13.6410 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.4410 HA :: 4.7760 HB :: 2.2670 HG13 :: 1.3120 HG21 :: 0.9850 HG22 :: 0.9850 HG23 :: 0.9850 HD11 :: 0.8130 HD12 :: 0.8130 HD13 :: 0.8130 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.1830 Ave N Shift Values>> N :: 121.46(4.28) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.46 C Shift Assignments>> C :: 174.8120 CA :: 64.6990 CB :: 38.4530 CG1 :: 30.9030 CG2 :: 15.0840 CD1 :: 14.3650 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.1090 HA :: 3.7240 HB :: 1.4720 HG12 :: 0.6500 HG13 :: 0.7490 HG21 :: 0.9090 HG22 :: 0.9090 HG23 :: 0.9090 HD11 :: 0.6520 HD12 :: 0.6520 HD13 :: 0.6520 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.3870 Ave N Shift Values>> N :: 121.46(4.28) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.13 D 0.1 Y 0.1 F 0.08 E 0.03 L 0.02 M 0.02 C Shift Assignments>> C :: 174.2850 CA :: 53.9130 CB :: 38.0940 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.4590 HA :: 4.9010 HB2 :: 2.7960 HB3 :: 2.9310 HD21 :: 7.6070 HD22 :: 7.0390 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.7340 ND2 :: 115.8570 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.3 G 0.19 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.6460 CA :: 43.8460 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0690 HA2 :: 3.9020 HA3 :: 4.7470 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.7300 Ave N Shift Values>> N :: 109.67(3.87) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.45 R 0.01 HN Overlap>> 1.R16 1.R16 C Shift Assignments>> C :: 177.0140 CA :: 58.2280 CB :: 32.5810 CG :: 24.4310 CD :: 29.4650 CE :: 40.9700 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.4520 HA :: 4.3950 HB2 :: 1.8740 HB3 :: 1.8140 HG2 :: 1.2690 HG3 :: 1.5890 HD2 :: 1.7940 HD3 :: 1.9150 HE2 :: 3.0060 HE3 :: 3.0430 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.4210 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.18 M 0.14 R 0.1 Q 0.09 H 0.08 W 0.08 E 0.06 V 0.04 C Shift Assignments>> C :: 172.5850 CA :: 57.6110 CB :: 32.5770 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.4040 HA :: 5.5210 HB2 :: 2.7080 HB3 :: 2.7710 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.9100 Ave N Shift Values>> N :: 120.17(4.64) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 F 0.33 C 0.14 G 0.01 C Shift Assignments>> C :: 173.2830 CA :: 56.7900 CB :: 42.4080 CD1 :: 132.7770 CE1 :: 132.1650 CZ :: 129.9930 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.6880 HA :: 5.4170 HB3 :: 2.6970 HD1 :: 7.0720 HE1 :: 7.1490 HZ :: 7.3210 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.4980 Ave N Shift Values>> N :: 120.45(4.18) 1.F81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.44 Y 0.39 C 0.16 C Shift Assignments>> C :: 174.8970 CA :: 56.7900 CB :: 40.9700 CD1 :: 131.3490 CE1 :: 131.6480 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.9390 HA :: 4.5470 HB3 :: 2.9600 HD1 :: 5.6910(S) HE1 :: 7.1110 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 130.7190 Ave N Shift Values>> N :: 120.45(4.18) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.14 G 0.13 A 0.04 HN Overlap>> 1.I44 1.I44 C Shift Assignments>> CA :: 58.2280 CB :: 43.1270 CG1 :: 25.1500 CG2 :: 17.9600 CD1 :: 14.3650 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.2880 HA :: 5.0990 HB :: 1.0940 HG12 :: 0.1240 HG13 :: 0.8630 HG21 :: 0.4340 HG22 :: 0.4340 HG23 :: 0.4340 HD11 :: 0.0500 HD12 :: 0.0500 HD13 :: 0.0500 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.6640 Ave N Shift Values>> N :: 121.46(4.28) 1.H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.44 W 0.32 C 0.22 C Shift Assignments>> CA :: 53.1940 CB :: 31.6220 CD2 :: 119.8000 CE1 :: 136.7210 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.0880 HA :: 4.9170 HB2 :: 2.6320 HB3 :: 2.9520 HD2 :: 6.9720 HE1 :: 8.4910 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.3110 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 H 0.35 W 0.13 HN Overlap>> 1.K123 1.K123 C Shift Assignments>> CA :: 58.2280 CD1 :: 133.0230 CE1 :: 117.0720 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.9800 HA :: 3.7790 HD1 :: 6.4650 HE1 :: 6.4700 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 129.5900 Ave N Shift Values>> N :: 120.52(4.2) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 Q 0.26 C 0.25 R 0.1 M 0.06 E 0.01 C Shift Assignments>> CA :: 56.7900 CB :: 28.7460 CG :: 33.0610 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.9520 HA :: 4.0150 HB2 :: 1.7660 HB3 :: 1.9440 HG2 :: 2.1350 HG3 :: 2.2800 HE21 :: 7.5350 HE22 :: 6.8300 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.5560 NE2 :: 112.7250 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.2840 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.8590 HA3 :: 4.2940 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.W87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 W 0.42 H 0.03 C Shift Assignments>> CA :: 55.3510 CB :: 30.9030 CD1 :: 124.3910 CZ2 :: 113.1760 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.2030 HA :: 5.0010 HB2 :: 3.1030 HB3 :: 3.1740 HD1 :: 6.8050 HE1 :: 9.2410 HZ2 :: 5.6740(S) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.8540 NE1 :: 127.6870 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.18 K 0.17 V 0.16 Q 0.1 P 0.06 R 0.03 H 0.03 W 0.02 E 0.01 HN Overlap>> 1.E66 1.N107 1.E66 1.N107 C Shift Assignments>> CB :: 33.0610 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.7190 HB3 :: 2.1760 HG2 :: 1.6800 HG3 :: 1.8840 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.9250 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.4770 CA :: 61.1870 CB :: 62.5420 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.7120 HB3 :: 4.0180 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2550 CA :: 59.6660 CB :: 61.8230 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7210 HA :: 4.2560 HB3 :: 3.7070 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.3410 Ave N Shift Values>> N :: 116.28(3.52) 1.W91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 174.9310 CA :: 56.7900 CB :: 30.1840 CD1 :: 127.5200 CE3 :: 121.2370 CZ2 :: 114.4930 CZ3 :: 121.9610 CH2 :: 124.7410 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.6930 HA :: 4.7280 HB2 :: 3.5530 HB3 :: 3.6240 HD1 :: 7.3400 HE1 :: 9.8600 HE3 :: 7.6190 HZ2 :: 7.1430 HZ3 :: 6.8520 HH2 :: 6.9730 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.1750 NE1 :: 128.9130 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 F 0.16 L 0.16 Y 0.14 N 0.12 C 0.08 K 0.03 I 0.01 C Shift Assignments>> C :: 176.3970 CA :: 55.3510 CB :: 40.2510 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.7770 HA :: 4.7020 HB2 :: 2.5840 HB3 :: 2.1820 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.1070 Ave N Shift Values>> N :: 120.65(3.86) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.38 Q 0.08 E 0.06 C Shift Assignments>> C :: 174.0010 CA :: 54.6320 CB :: 33.0610 CG :: 34.4990 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.4050 HA :: 4.7340 HB3 :: 2.2740 HG2 :: 2.1340 HG3 :: 2.5300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.6570 Ave N Shift Values>> N :: 120.67(3.48) 1.W94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.48 C Shift Assignments>> C :: 176.0160 CA :: 56.7900 CB :: 30.9030 CD1 :: 128.7100 CE3 :: 122.3660 CZ2 :: 114.1750 CZ3 :: 121.9010 CH2 :: 124.0580 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.7190 HA :: 5.3240 HB2 :: 2.9070 HB3 :: 3.1860 HD1 :: 7.5820 HE1 :: 9.9220 HE3 :: 6.7070 HZ2 :: 6.5410 HZ3 :: 6.7180 HH2 :: 6.4020 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.2010 NE1 :: 132.2810 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.18 C Shift Assignments>> C :: 175.4550 CA :: 58.9470 CB :: 35.9370 CG1 :: 21.5550 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.6560 HA :: 4.8630 HB :: 2.3280 HG11 :: 0.9430 HG12 :: 0.9430 HG13 :: 0.9430 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.8700 Ave N Shift Values>> N :: 121.14(4.54) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.28 D 0.07 F 0.05 K 0.05 G 0.04 Y 0.03 C 0.03 I 0.01 C Shift Assignments>> C :: 175.1420 CA :: 43.1270 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.2310 HA2 :: 4.0080 HA3 :: 5.0080 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.8480 Ave N Shift Values>> N :: 109.67(3.87) 1.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 176.6100 CA :: 61.1040 CB :: 38.8130 CD1 :: 133.4080 CE1 :: 118.9250 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.5320 HA :: 4.3880 HB3 :: 3.2520 HD1 :: 7.3770 HE1 :: 7.0600 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.9730 Ave N Shift Values>> N :: 120.52(4.2) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.22 D 0.17 C 0.12 N 0.11 L 0.1 I 0.03 C Shift Assignments>> C :: 178.0670 CA :: 56.0710 CB :: 39.5320 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.7860 HA :: 4.4930 HB3 :: 2.6960 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.2740 Ave N Shift Values>> N :: 120.65(3.86) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.39 K 0.14 G 0.04 C Shift Assignments>> C :: 174.9830 CA :: 56.7900 CB :: 32.3410 CG :: 27.3080 CD :: 43.1270 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.7760 HA :: 4.6370 HB3 :: 2.4980 HG3 :: 1.6930 HD2 :: 3.3390 HD3 :: 3.4420 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.6370 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.52 C 0.47 C Shift Assignments>> C :: 175.2560 CA :: 59.6660 CB :: 40.9700 CG1 :: 27.3080 CG2 :: 16.5220 CD1 :: 12.2080 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.4860 HA :: 5.1110 HB :: 1.4060 HG12 :: 0.7960 HG13 :: 0.8960 HG21 :: 0.3700 HG22 :: 0.3700 HG23 :: 0.3700 HD11 :: -0.4800(S) HD12 :: -0.4800(S) HD13 :: -0.4800(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.1790 Ave N Shift Values>> N :: 121.46(4.28) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.24 R 0.18 G 0.06 C Shift Assignments>> C :: 174.8050 CA :: 52.4750 CB :: 34.4990 CG :: 27.3080 CD :: 42.4080 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.2640 HA :: 4.9220 HB2 :: 1.4550 HB3 :: 1.9390 HG3 :: 1.5750 HD2 :: 3.1860 HD3 :: 3.7100 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.9650 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> C :: 177.1630 CA :: 52.4750 CB :: 18.6790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9090 HA :: 4.3800 HB1 :: 1.2280 HB2 :: 1.2280 HB3 :: 1.2280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.3100 Ave N Shift Values>> N :: 123.23(3.54) 1.Y103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.39 C Shift Assignments>> C :: 173.0390 CA :: 58.9470 CB :: 38.0940 CD1 :: 132.7920 CE1 :: 118.5690 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.3110 HA :: 4.0920 HB2 :: 2.2560 HB3 :: 3.3740 HD1 :: 6.8530 HE1 :: 6.6820 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.3050 Ave N Shift Values>> N :: 120.52(4.2) 1.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.13 C 0.09 F 0.02 L 0.02 Y 0.02 C Shift Assignments>> C :: 174.3240 CA :: 50.3180 CB :: 38.8130 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.1650 HA :: 4.6980 HB2 :: 3.1670 HB3 :: 2.9380 HD21 :: 7.5300 HD22 :: 6.6340 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.6620 ND2 :: 112.1910 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.28 E 0.26 K 0.03 Q 0.01 C Shift Assignments>> C :: 178.9520 CA :: 60.3850 CB :: 29.4650 CG :: 36.6560 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.7300 HA :: 3.8500 HB3 :: 2.0240 HG3 :: 2.3420 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.3620 Ave N Shift Values>> N :: 120.67(3.48) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.31 I 0.22 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.3520 CA :: 59.6660 CB :: 29.4650 CG :: 36.6560 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.6100 HA :: 4.0890 HB3 :: 2.0070 HG3 :: 2.2240 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.3630 Ave N Shift Values>> N :: 120.67(3.48) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 Y 0.18 C 0.17 F 0.15 D 0.08 E 0.06 L 0.03 M 0.02 I 0.02 HN Overlap>> 1.K88 1.E66 1.K88 1.E66 C Shift Assignments>> C :: 177.7570 CA :: 55.3520 CB :: 38.0940 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.7530 HA :: 4.7040 HB2 :: 2.3190 HB3 :: 2.8860 HD21 :: 8.6680 HD22 :: 7.1690 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.8320 ND2 :: 116.1180 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.9470 CA :: 64.6990 CB :: 37.3750 CG1 :: 29.4650 CG2 :: 17.2410 CD1 :: 12.2080 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.4890 HA :: 3.5470 HB :: 1.7660 HG12 :: 0.6770 HG13 :: 1.2930 HG21 :: 0.8360 HG22 :: 0.8360 HG23 :: 0.8360 HD11 :: 0.2500 HD12 :: 0.2500 HD13 :: 0.2500 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.0070 Ave N Shift Values>> N :: 121.46(4.28) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.24 I 0.04 C 0.01 C Shift Assignments>> C :: 180.9940 CA :: 55.3510 CB :: 17.2410 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9240 HA :: 4.1270 HB1 :: 1.5250 HB2 :: 1.5250 HB3 :: 1.5250 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8740 Ave N Shift Values>> N :: 123.23(3.54) 1.M110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.32 Q 0.1 K 0.03 HN Overlap>> 1.A115 1.A115 C Shift Assignments>> C :: 176.4740 CA :: 58.9470 CB :: 32.3420 CG :: 31.6220 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.7560 HA :: 4.1740 HB3 :: 2.2250 HG3 :: 2.6140 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.4200 Ave N Shift Values>> N :: 120.09(3.57) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 K 0.24 HN Overlap>> 1.Q54 1.Q54 C Shift Assignments>> C :: 179.0510 CA :: 59.6660 CB :: 30.1840 CG :: 24.4310 CE :: 40.9700 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.3230 HA :: 3.8020 HB2 :: 1.3790 HB3 :: 1.4880 HG3 :: 0.7730 HE3 :: 2.9520 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.9610 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.45 R 0.05 C Shift Assignments>> C :: 178.4480 CA :: 58.9470 CB :: 32.3420 CG :: 25.1500 CE :: 41.6890 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9810 HA :: 4.0440 HB3 :: 1.8930 HG2 :: 1.4110 HG3 :: 1.6110 HE3 :: 2.9240 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.0690 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.37 G 0.14 K 0.01 C Shift Assignments>> C :: 179.3380 CA :: 59.6660 CB :: 30.1840 CG :: 27.3080 CD :: 43.8460 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0420 HA :: 4.1420 HB2 :: 1.9930 HB3 :: 2.0660 HG2 :: 1.5780 HG3 :: 1.7870 HD2 :: 3.2430 HD3 :: 3.2820 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.1590 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.41 R 0.03 A 0.01 C Shift Assignments>> C :: 179.6280 CA :: 57.5090 CB :: 41.6890 CG :: 26.5890 CD1 :: 25.8700 CD2 :: 22.2740 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.6750 HA :: 4.0750 HB2 :: 1.5980 HB3 :: 1.9520 HG :: 1.9370 HD11 :: 1.0650 HD12 :: 1.0650 HD13 :: 1.0650 HD21 :: 1.0200 HD22 :: 1.0200 HD23 :: 1.0200 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.5390 Ave N Shift Values>> N :: 121.86(3.9) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.45 I 0.02 C 0.02 HN Overlap>> 1.M110 1.M110 C Shift Assignments>> C :: 179.6070 CA :: 54.6320 CB :: 17.9600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7560 HA :: 4.1790 HB1 :: 1.5120 HB2 :: 1.5120 HB3 :: 1.5120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4200 Ave N Shift Values>> N :: 123.23(3.54) 1.N116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 Y 0.18 C 0.17 F 0.15 D 0.08 E 0.06 L 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 177.1960 CA :: 55.3510 CB :: 38.0940 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.0650 HA :: 4.5890 HB3 :: 2.9460 HD21 :: 7.6790 HD22 :: 6.9250 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.6370 ND2 :: 113.7480 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.39 I 0.08 M 0.05 K 0.04 Q 0.02 C Shift Assignments>> C :: 177.8580 CA :: 58.2280 CB :: 30.1840 CG :: 36.6560 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3200 HA :: 4.1530 HB3 :: 2.0860 HG3 :: 2.5250 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.2700 Ave N Shift Values>> N :: 120.67(3.48) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.01 C Shift Assignments>> C :: 178.4720 CA :: 53.1940 CB :: 18.6790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8550 HA :: 4.3370 HB1 :: 1.5330 HB2 :: 1.5330 HB3 :: 1.5330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.3420 Ave N Shift Values>> N :: 123.23(3.54) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.42 R 0.09 C Shift Assignments>> C :: 177.3130 CA :: 56.7900 CB :: 33.0610 CG :: 24.4310 CD :: 28.7460 CE :: 41.6890 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.8440 HA :: 4.2480 HB3 :: 1.9220 HG3 :: 1.5590 HD3 :: 1.7380 HE3 :: 3.0250 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.0270 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.35 K 0.07 I 0.06 Q 0.03 M 0.03 C Shift Assignments>> C :: 176.3140 CA :: 56.7900 CB :: 29.4650 CG :: 36.6560 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0860 HA :: 4.2550 HB2 :: 2.0040 HB3 :: 2.0720 HG3 :: 2.3350 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.2780 Ave N Shift Values>> N :: 120.67(3.48) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> C :: 177.5030 CA :: 52.4750 CB :: 18.6790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0810 HA :: 4.3230 HB1 :: 1.4320 HB2 :: 1.4320 HB3 :: 1.4320 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.5090 Ave N Shift Values>> N :: 123.23(3.54) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.16 HN Overlap>> 1.E58 1.E58 1.V5 1.V5 C Shift Assignments>> C :: 175.6570 CA :: 56.7900 CB :: 32.3410 CG :: 24.4310 CD :: 28.7460 CE :: 41.9840 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.1660 HA :: 4.3170 HB2 :: 1.7980 HB3 :: 1.8790 HG3 :: 1.4710 HD3 :: 1.7030 HE3 :: 3.0050 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.2970 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.44 R 0.08 HN Overlap>> 1.Y84 1.Y84 C Shift Assignments>> C :: 181.3610 CA :: 57.5090 CB :: 33.7800 CG :: 24.4310 CD :: 28.7460 CE :: 41.9840 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9790 HA :: 4.1780 HB2 :: 1.7120 HB3 :: 1.8300 HG3 :: 1.4070 HD3 :: 1.6620 HE3 :: 2.9760 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.5900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 114 #Clerical: 0 #Suspicious: 6 #Anomalous: 1 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 117 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 122 #Suspicious: 1 C Shift Results: #Consistent: 506 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 H Shift Results: #Consistent: 725 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 3 N Shift Results: #Consistent: 124 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M25 Typing: Mistyped 1.M25 CG = 38.0940(S), Expected = 32.01, Std = 1.2400, ChiSquare = 9.2739e-07 1.M25 CE = 31.6220(S), Expected = 17.07, Std = 1.5800, ChiSquare = 3.2574e-20 1.A28 CB = 25.1510(S), Expected = 19.01, Std = 1.8300, ChiSquare = 7.9154e-04 1.L31 HB3 = -0.0190(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.9114e-05 1.K32 HD2 = 0.2110(S), Expected = 1.61, Std = 0.2200, ChiSquare = 2.0295e-10 1.K32 HD3 = 0.4780(S), Expected = 1.60, Std = 0.2200, ChiSquare = 3.3965e-07 1.K32 HE2 = 2.1400(S), Expected = 2.92, Std = 0.1900, ChiSquare = 4.0385e-05 1.K39 Typing: Mistyped 1.K39 CB = 51.0370(A), Expected = 32.79, Std = 1.7800, ChiSquare = 1.1698e-24 1.K39 HA = 2.6520(S), Expected = 4.27, Std = 0.4400, ChiSquare = 2.3574e-04 1.K39 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.K39 SRO Rule Break>> CE > CB : 0.998982706002035 1.I70 HB = 0.4850(S), Expected = 1.78, Std = 0.2900, ChiSquare = 7.9876e-06 1.I70 HG12 = -1.7000(S), Expected = 1.28, Std = 0.4000, ChiSquare = 9.3340e-14 1.I70 HD11 = -1.8250(A), Expected = 0.68, Std = 0.2900, ChiSquare = 5.7240e-18 1.I70 HD12 = -1.8250(A), Expected = 0.68, Std = 0.2900, ChiSquare = 5.7240e-18 1.I70 HD13 = -1.8250(A), Expected = 0.68, Std = 0.2900, ChiSquare = 5.7240e-18 1.F81 HD1 = 5.6910(S), Expected = 7.06, Std = 0.3100, ChiSquare = 1.0048e-05 1.W87 HZ2 = 5.6740(S), Expected = 7.28, Std = 0.3300, ChiSquare = 1.1350e-06 1.I100 HD11 = -0.4800(S), Expected = 0.68, Std = 0.2900, ChiSquare = 6.3342e-05 1.I100 HD12 = -0.4800(S), Expected = 0.68, Std = 0.2900, ChiSquare = 6.3342e-05 1.I100 HD13 = -0.4800(S), Expected = 0.68, Std = 0.2900, ChiSquare = 6.3342e-05