Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 173.7840 CA :: 61.0730 CB :: 33.8490 CG1 :: 20.4300 CG2 :: 21.4300 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>> HA :: 4.2880 HB :: 1.5160 HG11 :: 0.6520 HG12 :: 0.6520 HG13 :: 0.6520 HG21 :: 0.3780 HG22 :: 0.3780 HG23 :: 0.3780 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) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.28 E 0.22 Q 0.01 C Shift Assignments>> C :: 174.1610 CA :: 55.8220 CB :: 32.8310 CG :: 36.3000 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 :: 8.4910 HA :: 4.6590 HB2 :: 1.9720 HB3 :: 1.7370 HG2 :: 2.1050 HG3 :: 2.1050 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 :: 127.3200 Ave N Shift Values>> N :: 120.67(3.48) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.47 C Shift Assignments>> C :: 174.1710 CA :: 60.5670 CB :: 41.7500 CG1 :: 27.9800 CG2 :: 18.8600 CD1 :: 14.6100 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 :: 8.6170 HA :: 4.7360 HB :: 1.4600 HG12 :: 0.7890 HG13 :: 1.5690 HG21 :: 0.8350 HG22 :: 0.8350 HG23 :: 0.8350 HD11 :: 0.7020 HD12 :: 0.7020 HD13 :: 0.7020 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 :: 123.9340 Ave N Shift Values>> N :: 121.46(4.28) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 L 0.04 C 0.03 C Shift Assignments>> C :: 175.2360 CA :: 50.6390 CB :: 20.9390 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.6220 HA :: 4.8650 HB1 :: 1.4250 HB2 :: 1.4250 HB3 :: 1.4250 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.4200 Ave N Shift Values>> N :: 123.23(3.54) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 I 0.09 G 0.04 A 0.01 C Shift Assignments>> C :: 173.1900 CA :: 58.3700 CB :: 42.6840 CG1 :: 29.1200 CG2 :: 16.3000 CD1 :: 16.0000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.5460 HA :: 4.8530 HB :: 1.6000 HG12 :: 1.1530 HG13 :: 1.5330 HG21 :: 0.8780 HG22 :: 0.8780 HG23 :: 0.8780 HD11 :: 0.8530 HD12 :: 0.8530 HD13 :: 0.8530 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.6490 Ave N Shift Values>> N :: 121.46(4.28) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.11 C 0.09 F 0.03 Y 0.02 L 0.02 C Shift Assignments>> C :: 172.6170 CA :: 51.0520 CB :: 38.4780 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 :: 8.0530 HA :: 5.2860 HB2 :: 2.6620 HB3 :: 2.6620 HD21 :: 7.5110 HD22 :: 6.9100 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 :: 126.1460 ND2 :: 113.5900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 177.8580 CA :: 62.4690 CB :: 31.7380 CG :: 27.9000 CD :: 50.2280 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 :: 4.5010 HB2 :: 2.4660 HB3 :: 1.8850 HG2 :: 2.1490 HG3 :: 2.0330 HD2 :: 3.6250 HD3 :: 3.8950 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.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 176.3360 CA :: 52.3640 CB :: 19.1070 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7070 HA :: 4.3330 HB1 :: 0.7230 HB2 :: 0.7230 HB3 :: 0.7230 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.9140 Ave N Shift Values>> N :: 123.23(3.54) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 171.9520 CA :: 56.4620 CB :: 65.9780 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8510 HA :: 4.7630 HB2 :: 3.7800 HB3 :: 4.0280 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 :: 115.6790 Ave N Shift Values>> N :: 116.28(3.52) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 Q 0.18 E 0.15 K 0.11 I 0.04 C Shift Assignments>> C :: 175.0810 CA :: 56.2810 CB :: 26.7540 CG :: 35.3600 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 :: 8.6970 HA :: 3.7500 HB2 :: 1.9620 HB3 :: 1.9620 HG2 :: 2.1140 HG3 :: 2.1140 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.5240 Ave N Shift Values>> N :: 120.67(3.48) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 177.9230 CA :: 63.2720 CB :: 38.3490 CG1 :: 28.6600 CG2 :: 19.0200 CD1 :: 14.6800 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 :: 7.9080 HA :: 4.0820 HB :: 1.6870 HG12 :: 1.2360 HG13 :: 0.4210 HG21 :: 1.2870 HG22 :: 1.2870 HG23 :: 1.2870 HD11 :: 0.8760 HD12 :: 0.8760 HD13 :: 0.8760 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 :: 117.3410 Ave N Shift Values>> N :: 121.46(4.28) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 174.7480 CA :: 60.4320 CB :: 70.4510 CG2 :: 20.3700 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 :: 8.9870 HA :: 4.8200 HB :: 4.6860 HG21 :: 1.1410 HG22 :: 1.1410 HG23 :: 1.1410 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 :: 121.9230 Ave N Shift Values>> N :: 115.42(4.75) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.16 C 0.05 L 0.03 V 0.01 C Shift Assignments>> C :: 176.5540 CA :: 54.3840 CB :: 19.8080 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5240 HA :: 4.7740 HB1 :: 1.3270 HB2 :: 1.3270 HB3 :: 1.3270 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.6580 Ave N Shift Values>> N :: 123.23(3.54) 1.T15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> T 0.73 C 0.25 C Shift Assignments>> C :: 173.9810 CA :: 59.6800 CB :: 71.7320 CG2 :: 20.7000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.5140 HA :: 4.6450 HB :: 4.6200 HG21 :: 1.0930 HG22 :: 1.0930 HG23 :: 1.0930 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 :: 96.6220(S) Ave N Shift Values>> N :: 115.42(4.75) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 S 0.28 C Shift Assignments>> C :: 171.0430 CA :: 57.2420 CB :: 67.6180 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6360 HA :: 5.3000 HB2 :: 3.9140 HB3 :: 3.7390 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 :: 117.2030 Ave N Shift Values>> N :: 116.28(3.52) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 A 0.14 C 0.14 K 0.08 C Shift Assignments>> C :: 173.3260 CA :: 52.1680 CB :: 23.2700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0950 HA :: 4.3300 HB1 :: 0.5340 HB2 :: 0.5340 HB3 :: 0.5340 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.0100 Ave N Shift Values>> N :: 123.23(3.54) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.39 C 0.19 C Shift Assignments>> C :: 174.8820 CA :: 57.1130 CB :: 39.7320 CD1 :: 132.3000 CD2 :: 132.3000 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 :: 8.5950 HA :: 5.0340 HB2 :: 2.7940 HB3 :: 2.6700 HD1 :: 7.0730 HD2 :: 7.0730 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 :: 120.5200 Ave N Shift Values>> N :: 120.45(4.18) 1.I19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 I 0.37 A 0.02 C Shift Assignments>> C :: 173.4180 CA :: 58.6240 CB :: 40.6860 CG1 :: 24.2000 CG2 :: 17.8500 CD1 :: 13.6870 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 :: 7.9500 HA :: 4.1880 HB :: 0.3240(S) HG12 :: 0.3420 HG13 :: 1.1210 HG21 :: -0.4880(S) HG22 :: -0.4880(S) HG23 :: -0.4880(S) HD11 :: 0.1110 HD12 :: 0.1110 HD13 :: 0.1110 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 :: 120.6010 Ave N Shift Values>> N :: 121.46(4.28) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.63 T 0.36 C Shift Assignments>> C :: 172.2740 CA :: 57.8030 CB :: 66.9530 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4560 HA :: 4.9050 HB2 :: 3.9150 HB3 :: 3.4150 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 :: 111.6650 Ave N Shift Values>> N :: 116.28(3.52) 1.G21 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 :: 171.5790 CA :: 45.7860 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6190 HA2 :: 4.3430 HA3 :: 4.1040 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.3190 Ave N Shift Values>> N :: 109.67(3.87) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.51 C 0.48 C Shift Assignments>> C :: 173.1730 CA :: 62.1270 CB :: 73.6600 CG2 :: 21.9000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.0900 HA :: 5.2550 HB :: 3.7020 HG21 :: 1.0690 HG22 :: 1.0690 HG23 :: 1.0690 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 :: 115.8140 Ave N Shift Values>> N :: 115.42(4.75) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.2730 CA :: 62.1910 CB :: 31.5410 CG1 :: 22.4500 CG2 :: 21.9600 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 :: 9.3690 HA :: 4.4890 HB :: 2.3520 HG11 :: 0.9150 HG12 :: 0.9150 HG13 :: 0.9150 HG21 :: 0.7720 HG22 :: 0.7720 HG23 :: 0.7720 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 :: 127.2820 Ave N Shift Values>> N :: 121.14(4.54) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.13 C Shift Assignments>> C :: 174.7400 CA :: 64.4530 CB :: 68.3290 CG2 :: 23.1000 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 :: 8.4430 HA :: 4.0480 HB :: 4.1100 HG21 :: 1.1650 HG22 :: 1.1650 HG23 :: 1.1650 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 :: 122.7950 Ave N Shift Values>> N :: 115.42(4.75) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 K 0.36 G 0.01 C Shift Assignments>> C :: 173.4590 CA :: 55.8500 CB :: 36.5600 CG :: 24.5800 CD :: 29.4800 CE :: 42.0800 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 :: 7.5380 HA :: 4.2510 HB2 :: 1.5170 HB3 :: 1.5170 HG2 :: 1.2300 HG3 :: 1.2300 HD2 :: 1.5600 HD3 :: 1.5600 HE2 :: 2.8670 HE3 :: 2.8670 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.5590 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.38 C 0.19 C Shift Assignments>> C :: 172.5770 CA :: 57.9710 CB :: 39.7930 CD1 :: 131.8000 CD2 :: 131.8000 CE1 :: 131.0000 CE2 :: 131.0000 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 :: 8.1300 HA :: 4.2940 HB2 :: 1.9110 HB3 :: 1.6300 HD1 :: 6.8030 HD2 :: 6.8030 HE1 :: 6.9580 HE2 :: 6.9580 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.4580 Ave N Shift Values>> N :: 120.45(4.18) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.31 M 0.27 Q 0.07 K 0.01 C Shift Assignments>> C :: 174.7960 CA :: 55.1830 CB :: 31.3820 CG :: 35.8400 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 :: 7.0740 HA :: 4.1810 HB2 :: 1.7860 HB3 :: 1.6250 HG2 :: 2.0300 HG3 :: 2.0300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.9070 Ave N Shift Values>> N :: 120.67(3.48) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.23 K 0.21 M 0.15 E 0.07 HN Overlap>> 1.I109 1.I109 C Shift Assignments>> C :: 175.4810 CA :: 55.5120 CB :: 30.0530 CG :: 33.8300 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.2000 HA :: 4.1720 HB2 :: 1.9530 HB3 :: 1.7830 HG2 :: 2.1720 HG3 :: 2.0850 HE21 :: 7.2840 HE22 :: 6.7680 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 :: 122.6670 NE2 :: 111.4500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T70 1.T70 1.S104 1.S104 C Shift Assignments>> C :: 174.4080 CA :: 58.6740 CB :: 64.0790 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2450 HA :: 4.3970 HB2 :: 3.8730 HB3 :: 3.8730 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 :: 117.3860 Ave N Shift Values>> N :: 116.28(3.52) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.48 G 0.01 C Shift Assignments>> C :: 177.0620 CA :: 57.2840 CB :: 32.4890 CG :: 24.8000 CD :: 29.2000 CE :: 42.2400 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 :: 8.2800 HA :: 4.2050 HB2 :: 1.8160 HB3 :: 1.8160 HG2 :: 1.4580 HG3 :: 1.4580 HD2 :: 1.6790 HD3 :: 1.6790 HE2 :: 2.9890 HE3 :: 2.9890 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 :: 121.8620 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.11 C 0.03 F 0.01 C Shift Assignments>> C :: 173.7190 CA :: 45.1970 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3080 HA2 :: 3.9640 HA3 :: 3.7600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.8510 Ave N Shift Values>> N :: 109.67(3.87) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.39 C 0.19 C Shift Assignments>> C :: 175.4130 CA :: 57.7900 CB :: 39.7580 CD1 :: 131.9900 CD2 :: 131.9900 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 :: 7.9280 HA :: 4.6010 HB2 :: 3.0540 HB3 :: 2.9470 HD1 :: 7.1760 HD2 :: 7.1760 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 :: 119.7270 Ave N Shift Values>> N :: 120.45(4.18) 1.Y33 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 :: 176.3170 CA :: 58.1690 CB :: 38.5350 CD1 :: 133.3900 CD2 :: 133.3900 CE1 :: 118.2500 CE2 :: 118.2500 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 :: 8.1280 HA :: 4.5570 HB2 :: 3.1140 HB3 :: 2.9530 HD1 :: 7.1230 HD2 :: 7.1230 HE1 :: 6.8410 HE2 :: 6.8410 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 :: 121.5900 Ave N Shift Values>> N :: 120.52(4.2) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 C 0.02 C Shift Assignments>> C :: 174.1430 CA :: 45.6110 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9580 HA2 :: 4.0300 HA3 :: 3.8610 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1170 Ave N Shift Values>> N :: 109.67(3.87) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6470 CA :: 58.5920 CB :: 64.2240 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1910 HA :: 4.5560 HB2 :: 3.9590 HB3 :: 3.9220 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 :: 115.3780 Ave N Shift Values>> N :: 116.28(3.52) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.14 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.4520 CA :: 45.0230 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2640 HA2 :: 3.9820 HA3 :: 3.9820 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.4340 Ave N Shift Values>> N :: 109.67(3.87) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 W 0.15 E 0.15 H 0.15 C 0.13 M 0.04 I 0.02 C Shift Assignments>> C :: 172.7150 CA :: 57.0470 CB :: 29.3490 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4510 HA :: 4.7220 HB2 :: 2.5810 HB3 :: 2.3230 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 :: 118.2490 Ave N Shift Values>> N :: 120.17(4.64) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.22 L 0.17 F 0.07 Y 0.05 C 0.05 K 0.03 C Shift Assignments>> C :: 174.1490 CA :: 53.2970 CB :: 40.6910 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 :: 8.5460 HA :: 5.1440 HB2 :: 2.7040 HB3 :: 2.3600 HD21 :: 7.3870 HD22 :: 6.7540 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 :: 122.0690 ND2 :: 113.0600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 C Shift Assignments>> C :: 174.6950 CA :: 60.6890 CB :: 39.7790 CG1 :: 28.2500 CG2 :: 19.2400 CD1 :: 14.6200 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.2540 HA :: 4.7770 HB :: 1.6640 HG12 :: 1.7380 HG13 :: 1.7380 HG21 :: 0.7690 HG22 :: 0.7690 HG23 :: 0.7690 HD11 :: 0.7610 HD12 :: 0.7610 HD13 :: 0.7610 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 :: 128.4360 Ave N Shift Values>> N :: 121.46(4.28) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.64 T 0.35 C Shift Assignments>> C :: 171.6950 CA :: 57.6900 CB :: 66.9550 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9740 HA :: 5.5790 HB2 :: 3.7600 HB3 :: 3.6500 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 :: 119.8030 Ave N Shift Values>> N :: 116.28(3.52) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.25 C 0.21 C Shift Assignments>> C :: 174.2570 CA :: 53.7650 CB :: 45.9680 CG :: 26.9700 CD1 :: 26.4000 CD2 :: 24.8000 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 :: 8.4700 HA :: 5.1810 HB2 :: 1.6170 HB3 :: 1.3250 HG :: 1.4030 HD11 :: 0.5940 HD12 :: 0.5940 HD13 :: 0.5940 HD21 :: 0.6790 HD22 :: 0.6790 HD23 :: 0.6790 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 :: 125.4060 Ave N Shift Values>> N :: 121.86(3.9) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 C 0.31 L 0.19 C Shift Assignments>> C :: 175.4330 CA :: 53.8540 CB :: 46.3080 CG :: 27.8100 CD1 :: 25.7400 CD2 :: 25.7400 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 :: 9.0040 HA :: 5.6940 HB2 :: 1.8230 HB3 :: 1.8230 HG :: 1.7200 HD11 :: 0.9510 HD12 :: 0.9510 HD13 :: 0.9510 HD21 :: 0.9510 HD22 :: 0.9510 HD23 :: 0.9510 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.5330 Ave N Shift Values>> N :: 121.86(3.9) 1.Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.21 G 0.04 C Shift Assignments>> C :: 173.5090 CA :: 56.8410 CB :: 42.6570 CD1 :: 132.9000 CD2 :: 132.9000 CE1 :: 118.1700 CE2 :: 118.1700 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 :: 9.3080 HA :: 5.6470 HB2 :: 2.9100 HB3 :: 2.8300 HD1 :: 6.7810 HD2 :: 6.7810 HE1 :: 6.4600 HE2 :: 6.4600 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 :: 115.0390 Ave N Shift Values>> N :: 120.52(4.2) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 W 0.39 HN Overlap>> 1.Q81 1.Q81 C Shift Assignments>> C :: 174.4030 CA :: 56.6530 CB :: 30.8940 CD1 :: 128.6900 CZ2 :: 115.4600 CZ3 :: 120.2800 CH2 :: 122.1000 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 :: 8.6000 HA :: 5.0700 HB2 :: 3.6500 HB3 :: 3.1300 HD1 :: 7.0670 HE1 :: 10.2890 HE3 :: 7.2030 HZ2 :: 7.2650 HZ3 :: 6.7900 HH2 :: 6.6690 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 :: 115.9370 NE1 :: 130.1400 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.37 M 0.07 K 0.04 I 0.04 Q 0.02 C Shift Assignments>> C :: 178.6670 CA :: 56.5170 CB :: 30.0990 CG :: 36.8200 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 :: 9.0620 HA :: 3.8450 HB2 :: 2.0000 HB3 :: 1.9190 HG2 :: 2.2020 HG3 :: 1.9740 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 :: 121.8040 Ave N Shift Values>> N :: 120.67(3.48) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.3 I 0.06 C 0.03 C Shift Assignments>> C :: 178.2900 CA :: 55.7150 CB :: 18.2290 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5310 HA :: 3.9810 HB1 :: 1.1810 HB2 :: 1.1810 HB3 :: 1.1810 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.4100 Ave N Shift Values>> N :: 123.23(3.54) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1630 CA :: 59.1780 CB :: 63.4580 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3100 HA :: 4.3210 HB2 :: 3.8780 HB3 :: 4.0280 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 :: 108.6020 Ave N Shift Values>> N :: 116.28(3.52) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.2 C 0.07 L 0.04 F 0.03 Y 0.03 C Shift Assignments>> C :: 172.6150 CA :: 51.3730 CB :: 39.3000 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 :: 8.0230 HA :: 5.2190 HB2 :: 2.9870 HB3 :: 2.5870 HD21 :: 7.5200 HD22 :: 6.7100 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 :: 118.2830 ND2 :: 111.0300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 175.9610 CA :: 63.9920 CB :: 31.8300 CG :: 27.0600 CD :: 50.6000 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 :: 4.1350 HB2 :: 1.8960 HB3 :: 1.5920 HG2 :: 1.9480 HG3 :: 1.7830 HD2 :: 3.5570 HD3 :: 3.6480 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.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.42 A 0.09 C Shift Assignments>> C :: 176.8530 CA :: 56.1150 CB :: 31.4240 CG :: 32.8000 CE :: 16.9700 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 :: 7.8730 HA :: 4.2410 HB2 :: 1.9650 HB3 :: 1.9650 HG2 :: 2.5430 HG3 :: 2.3430 HE1 :: 2.0110 HE2 :: 2.0110 HE3 :: 2.0110 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.3090 Ave N Shift Values>> N :: 120.09(3.57) 1.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.28 C 0.27 C Shift Assignments>> C :: 173.0560 CA :: 53.7980 CB :: 28.4100 CD2 :: 119.0300 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.4570 HA :: 4.9690 HB2 :: 3.3500 HB3 :: 3.0300 HD2 :: 7.1570 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 :: 120.1500 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.4060 CA :: 62.4310 CB :: 33.2320 CG1 :: 21.6900 CG2 :: 22.7500 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.8440 HA :: 4.3480 HB :: 1.9140 HG11 :: 0.9140 HG12 :: 0.9140 HG13 :: 0.9140 HG21 :: 0.7200 HG22 :: 0.7200 HG23 :: 0.7200 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 :: 123.2570 Ave N Shift Values>> N :: 121.14(4.54) 1.K53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.58 C 0.39 G 0.02 C Shift Assignments>> C :: 174.4400 CA :: 54.5820 CB :: 34.6400 CG :: 25.0800 CD :: 28.9500 CE :: 42.4200 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 :: 8.9520 HA :: 4.5480 HB2 :: 1.3220 HB3 :: 0.6210(S) HG2 :: 1.2400 HG3 :: 1.2400 HD2 :: 1.5900 HD3 :: 1.5900 HE2 :: 2.9910 HE3 :: 2.9910 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.9510 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 HN Overlap>> 1.K98 1.K98 C Shift Assignments>> C :: 176.8660 CA :: 61.7790 CB :: 31.9650 CG1 :: 21.0700 CG2 :: 21.0700 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 :: 8.5160 HA :: 4.4420 HB :: 2.1070 HG11 :: 0.9700 HG12 :: 0.9700 HG13 :: 0.9700 HG21 :: 0.9700 HG22 :: 0.9700 HG23 :: 0.9700 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.4330 Ave N Shift Values>> N :: 121.14(4.54) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 L 0.06 M 0.05 C 0.04 C Shift Assignments>> C :: 177.3360 CA :: 53.4120 CB :: 20.3640 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.4410 HA :: 4.4730 HB1 :: 1.2100 HB2 :: 1.2100 HB3 :: 1.2100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.7150 Ave N Shift Values>> N :: 123.23(3.54) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.5410 CA :: 57.5620 CB :: 64.4980 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3070 HA :: 4.5130 HB2 :: 3.9160 HB3 :: 3.3250 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 :: 107.9830 Ave N Shift Values>> N :: 116.28(3.52) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.4840 CA :: 57.6530 CB :: 64.9010 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1120 HA :: 5.5460 HB2 :: 3.7600 HB3 :: 3.6920 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 :: 121.0050 Ave N Shift Values>> N :: 116.28(3.52) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.38 G 0.05 C Shift Assignments>> C :: 173.7720 CA :: 59.8680 CB :: 42.6680 CG1 :: 26.0300 CG2 :: 17.0700 CD1 :: 13.9600 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.2210 HA :: 4.8670 HB :: 1.9640 HG12 :: 1.2870 HG13 :: 1.2000 HG21 :: 0.9700 HG22 :: 0.9700 HG23 :: 0.9700 HD11 :: 0.8730 HD12 :: 0.8730 HD13 :: 0.8730 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.3900 Ave N Shift Values>> N :: 121.46(4.28) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7320 CA :: 56.6610 CB :: 64.3570 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3280 HA :: 5.5350 HB2 :: 3.6900 HB3 :: 3.7300 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 :: 117.0610 Ave N Shift Values>> N :: 116.28(3.52) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 K 0.17 G 0.04 A 0.01 C Shift Assignments>> C :: 174.9450 CA :: 53.8080 CB :: 37.7000 CG :: 24.8900 CD :: 28.5700 CE :: 42.2300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2200 HA :: 4.7070 HB2 :: 1.5210 HB3 :: 1.3880 HG2 :: 1.2500 HG3 :: 1.2500 HD2 :: 1.8960 HD3 :: 1.7340 HE2 :: 2.9500 HE3 :: 3.0740 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 :: 123.7000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.41 C Shift Assignments>> C :: 173.7900 CA :: 55.5100 CB :: 34.0270 CG :: 24.5700 CD :: 29.3000 CE :: 41.9700 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 :: 8.5530 HA :: 4.5580 HB2 :: 1.7350 HB3 :: 1.7350 HG2 :: 1.3310 HG3 :: 1.3310 HD2 :: 1.6370 HD3 :: 1.6370 HE2 :: 2.9900 HE3 :: 2.9900 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.7940 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.24 D 0.19 C 0.05 F 0.03 K 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 172.5120 CA :: 52.9240 CB :: 43.6450 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 :: 6.7400 HA :: 4.7760 HB2 :: 2.3200 HB3 :: 2.5340 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.0220 Ave N Shift Values>> N :: 120.65(3.86) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 F 0.31 C 0.19 HN Overlap>> 1.Y89 1.Y89 C Shift Assignments>> CA :: 56.3200 CB :: 40.7420 CD1 :: 133.1000 CE2 :: 133.1000 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 :: 8.2260 HA :: 4.4280 HB2 :: 2.6280 HB3 :: 2.6280 HD1 :: 6.6280 HE2 :: 6.6280 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 :: 118.4400 Ave N Shift Values>> N :: 120.45(4.18) 1.P64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.98 P 0.01 C Shift Assignments>> C :: 175.4510 CA :: 62.2640 CB :: 35.7820(S) CG :: 25.4000 CD :: 51.1600 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 :: 5.1240 HB2 :: 2.3660 HB3 :: 2.0710 HG2 :: 2.0340 HG3 :: 1.9900 HD2 :: 3.7070 HD3 :: 3.6450 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.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 L 0.26 C 0.11 C Shift Assignments>> C :: 174.7270 CA :: 50.7130 CB :: 22.2850 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8300 HA :: 4.8190 HB1 :: 1.2540 HB2 :: 1.2540 HB3 :: 1.2540 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.7850 Ave N Shift Values>> N :: 123.23(3.54) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 D 0.25 K 0.09 F 0.05 C 0.05 G 0.04 Y 0.03 N 0.02 C Shift Assignments>> C :: 174.5460 CA :: 53.8850 CB :: 42.9770 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 :: 8.5130 HA :: 5.1920 HB2 :: 2.7130 HB3 :: 2.5130 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 :: 123.7780 Ave N Shift Values>> N :: 120.65(3.86) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.41 C Shift Assignments>> C :: 171.8730 CA :: 60.1830 CB :: 41.7600 CG1 :: 28.1000 CG2 :: 18.9080 CD1 :: 14.8700 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 :: 8.6050 HA :: 4.5560 HB :: 1.5010 HG12 :: 1.5690 HG13 :: 0.7820 HG21 :: 0.8270 HG22 :: 0.8270 HG23 :: 0.8270 HD11 :: 0.7030 HD12 :: 0.7030 HD13 :: 0.7030 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 :: 118.4390 Ave N Shift Values>> N :: 121.46(4.28) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.84 T 0.15 C Shift Assignments>> C :: 172.4930 CA :: 57.2310 CB :: 66.5790 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8580 HA :: 4.7760 HB2 :: 3.7420 HB3 :: 3.4820 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 :: 118.1260 Ave N Shift Values>> N :: 116.28(3.52) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 A 0.25 C 0.12 K 0.04 HN Overlap>> 1.S108 1.S108 C Shift Assignments>> C :: 175.3350 CA :: 52.5340 CB :: 22.7520 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1780 HA :: 4.3610 HB1 :: 1.0400 HB2 :: 1.0400 HB3 :: 1.0400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.1290 Ave N Shift Values>> N :: 123.23(3.54) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> 1.S29 1.S104 1.S29 1.S104 C Shift Assignments>> C :: 174.8910 CA :: 62.9150 CB :: 68.7880 CG2 :: 21.0900 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 :: 8.2920 HA :: 4.9340 HB :: 3.9620 HG21 :: 1.0300 HG22 :: 1.0300 HG23 :: 1.0300 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 :: 117.4400 Ave N Shift Values>> N :: 115.42(4.75) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 I 0.32 C Shift Assignments>> C :: 174.1890 CA :: 59.7270 CB :: 38.7850 CG1 :: 24.7600 CG2 :: 19.7800 CD1 :: 12.7300 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 :: 8.7870 HA :: 4.3720 HB :: 1.1950 HG12 :: 1.3080 HG13 :: 0.5150 HG21 :: 0.2770 HG22 :: 0.2770 HG23 :: 0.2770 HD11 :: -0.1920 HD12 :: -0.1920 HD13 :: -0.1920 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 :: 123.6160 Ave N Shift Values>> N :: 121.46(4.28) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.43 G 0.01 HN Overlap>> 1.V121 1.V121 C Shift Assignments>> C :: 174.7610 CA :: 54.7160 CB :: 35.3770 CG :: 24.8500 CD :: 29.4900 CE :: 42.1200 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.1740 HA :: 4.9730 HB2 :: 1.8200 HB3 :: 1.6840 HG2 :: 1.2650 HG3 :: 1.2650 HD2 :: 1.6390 HD3 :: 1.6390 HE2 :: 2.9380 HE3 :: 2.9380 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 :: 120.3940 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 D 0.21 F 0.15 Y 0.15 C 0.1 L 0.09 I 0.01 HN Overlap>> 1.T78 1.T78 C Shift Assignments>> C :: 175.8500 CA :: 54.9700 CB :: 39.3260 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 :: 8.6260 HA :: 4.3980 HB2 :: 2.9040 HB3 :: 2.8320 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.7600 Ave N Shift Values>> N :: 120.65(3.86) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 C 0.18 L 0.05 C Shift Assignments>> C :: 176.0130 CA :: 53.4190 CB :: 40.7960 CG :: 26.2600 CD1 :: 20.0600 CD2 :: 24.6600 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 :: 8.3790 HA :: 4.2620 HB2 :: 1.3530 HB3 :: 1.0450 HG :: 1.1020 HD11 :: 0.1250 HD12 :: 0.1250 HD13 :: 0.1250 HD21 :: 0.1210 HD22 :: 0.1210 HD23 :: 0.1210 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.2960 Ave N Shift Values>> N :: 121.86(3.9) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 C 0.32 G 0.01 HN Overlap>> 1.L94 1.L94 C Shift Assignments>> C :: 175.0770 CA :: 53.8470 CB :: 33.5310 CG :: 24.7600 CD :: 29.2200 CE :: 42.2000 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 :: 8.4160 HA :: 4.6390 HB2 :: 1.7490 HB3 :: 1.7490 HG2 :: 1.2700 HG3 :: 1.2700 HD2 :: 1.6400 HD3 :: 1.6400 HE2 :: 3.0100 HE3 :: 3.0100 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 :: 120.6980 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 177.9430 CA :: 62.9460 CB :: 33.3690 CG :: 27.4800 CD :: 51.0700 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 :: 5.3540 HB2 :: 2.5150 HB3 :: 1.8350 HG2 :: 1.8470 HG3 :: 2.0120 HD2 :: 3.9790 HD3 :: 3.5760 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.H77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 W 0.33 C 0.25 C Shift Assignments>> C :: 173.5130 CA :: 55.2940 CB :: 29.4920 CD2 :: 119.5200 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.9830 HA :: 4.3030 HB2 :: 3.1730 HB3 :: 3.0180 HD2 :: 7.3800 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 :: 124.6550 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.Q81 1.D73 1.Q81 1.D73 C Shift Assignments>> C :: 171.8960 CA :: 63.1510 CB :: 71.7140 CG2 :: 20.2700 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 :: 8.5900 HA :: 4.5430 HB :: 3.9840 HG21 :: 0.7830 HG22 :: 0.7830 HG23 :: 0.7830 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 :: 115.7890 Ave N Shift Values>> N :: 115.42(4.75) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.6430 CA :: 62.9900 CB :: 68.3720 CG2 :: 22.4100 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 :: 8.2630 HA :: 4.7120 HB :: 3.8600 HG21 :: 1.0300 HG22 :: 1.0300 HG23 :: 1.0300 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 :: 122.2290 Ave N Shift Values>> N :: 115.42(4.75) 1.Y80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.34 G 0.26 C 0.12 F 0.12 Y 0.07 D 0.04 K 0.02 C Shift Assignments>> C :: 174.0010 CA :: 57.5970 CB :: 44.0420 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 :: 9.2560 HA :: 4.7880 HB2 :: 1.1910(S) HB3 :: 2.3200 HD1 :: 6.7440 HD2 :: 6.7440 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 :: 129.2800 Ave N Shift Values>> N :: 120.52(4.2) 1.Q81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 M 0.41 E 0.07 Q 0.03 HN Overlap>> 1.T78 1.W44 1.T78 1.W44 C Shift Assignments>> C :: 173.3340 CA :: 53.3430 CB :: 33.3370 CG :: 35.3760 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 :: 8.5450 HA :: 5.4570 HB2 :: 0.9650(S) HB3 :: 1.4880 HG2 :: 2.5030 HG3 :: 1.7920 HE21 :: 7.1220 HE22 :: 6.8770 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 :: 115.8650 NE2 :: 111.7400 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 K 0.19 D 0.14 F 0.11 Y 0.07 C 0.07 G 0.02 HN Overlap>> 1.S93 1.S93 C Shift Assignments>> C :: 171.9210 CA :: 56.2040 CB :: 42.7840 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 :: 8.3050 HA :: 5.1010 HB2 :: 3.3320 HB3 :: 2.9270 HD1 :: 6.8750 HD2 :: 6.8750 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 :: 113.1950 Ave N Shift Values>> N :: 120.45(4.18) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.24 C 0.24 M 0.17 N 0.1 Y 0.06 K 0.06 Q 0.04 F 0.03 C Shift Assignments>> C :: 172.9560 CA :: 54.9170 CB :: 35.9770 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 :: 8.8220 HA :: 4.6490 HB2 :: 1.8890 HB3 :: 1.9610 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 :: 112.1460 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.39 C Shift Assignments>> C :: 175.6880 CA :: 60.3150 CB :: 34.8700 CG1 :: 22.4000 CG2 :: 22.7000 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 :: 8.3880 HA :: 5.1910 HB :: 1.6910 HG11 :: 0.7930 HG12 :: 0.7930 HG13 :: 0.7930 HG21 :: 0.8700 HG22 :: 0.8700 HG23 :: 0.8700 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.4280 Ave N Shift Values>> N :: 121.14(4.54) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.32 C Shift Assignments>> C :: 173.7910 CA :: 59.6990 CB :: 72.1030 CG2 :: 21.6600 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.1440 HA :: 5.5800 HB :: 3.8270 HG21 :: 1.0220 HG22 :: 1.0220 HG23 :: 1.0220 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 :: 117.6420 Ave N Shift Values>> N :: 115.42(4.75) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.37 HN Overlap>> 1.F97 1.F97 C Shift Assignments>> C :: 175.2460 CA :: 60.7720 CB :: 34.6990 CG1 :: 21.9800 CG2 :: 23.5300 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 :: 9.2060 HA :: 4.8400 HB :: 1.9580 HG11 :: 0.7390 HG12 :: 0.7390 HG13 :: 0.7390 HG21 :: 0.8340 HG22 :: 0.8340 HG23 :: 0.8340 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 :: 123.7620 Ave N Shift Values>> N :: 121.14(4.54) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.21 E 0.15 M 0.09 Y 0.08 F 0.05 D 0.02 K 0.01 C Shift Assignments>> C :: 174.4090 CA :: 54.0490 CB :: 36.8350 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.6910 HA :: 4.2890 HB2 :: 3.3820 HB3 :: 2.9640 HD21 :: 7.7260 HD22 :: 7.0910 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 :: 126.4470 ND2 :: 110.5000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 C 0.33 F 0.32 C Shift Assignments>> C :: 176.3400 CA :: 61.4740 CB :: 37.1750 CD1 :: 131.8000 CD2 :: 131.8000 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 :: 8.4440 HA :: 3.8630 HB2 :: 3.1360 HB3 :: 3.0750 HD1 :: 7.0100 HD2 :: 7.0100 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 :: 110.2780 Ave N Shift Values>> N :: 120.45(4.18) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 HN Overlap>> 1.T114 1.T114 1.F63 1.F63 C Shift Assignments>> C :: 174.9820 CA :: 59.9190 CB :: 41.0850 CD1 :: 133.0300 CD2 :: 133.0300 CE1 :: 118.2000 CE2 :: 118.2000 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 :: 8.2330 HA :: 4.4460 HB2 :: 2.6410 HB3 :: 2.6410 HD1 :: 6.6280 HD2 :: 6.6280 HE1 :: 6.7220 HE2 :: 6.7220 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 :: 118.3960 Ave N Shift Values>> N :: 120.52(4.2) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.39 C 0.18 C Shift Assignments>> C :: 175.3700 CA :: 57.3150 CB :: 39.9490 CD1 :: 132.3500 CD2 :: 132.3500 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 :: 7.8730 HA :: 4.7470 HB2 :: 3.2010 HB3 :: 3.0540 HD1 :: 7.4100 HD2 :: 7.4100 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 :: 119.9990 Ave N Shift Values>> N :: 120.45(4.18) 1.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.69 T 0.3 C Shift Assignments>> C :: 174.6230 CA :: 58.0040 CB :: 66.8080 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7800 HA :: 5.5630 HB2 :: 3.9090 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 :: 118.0240 Ave N Shift Values>> N :: 116.28(3.52) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 173.9590 CA :: 58.5080 CB :: 66.0030 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9760 HA :: 4.5500 HB2 :: 4.3810 HB3 :: 3.7910 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 :: 118.3600 Ave N Shift Values>> N :: 116.28(3.52) 1.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F82 1.F82 C Shift Assignments>> C :: 173.2570 CA :: 59.2180 CB :: 63.6450 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3340 HA :: 4.4580 HB2 :: 4.0150 HB3 :: 3.9240 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 :: 113.1950 Ave N Shift Values>> N :: 116.28(3.52) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.29 G 0.09 HN Overlap>> 1.K75 1.K75 C Shift Assignments>> C :: 177.9160 CA :: 55.1180 CB :: 43.3640 CG :: 27.5500 CD1 :: 25.2600 CD2 :: 25.2600 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 :: 8.3610 HA :: 4.6200 HB2 :: 1.3680 HB3 :: 1.7140 HG :: 1.8190 HD11 :: 1.0190 HD12 :: 1.0190 HD13 :: 1.0190 HD21 :: 1.0190 HD22 :: 1.0190 HD23 :: 1.0190 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 :: 120.7890 Ave N Shift Values>> N :: 121.86(3.9) 1.Q95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.51 C 0.3 Q 0.13 E 0.04 C Shift Assignments>> C :: 174.4020 CA :: 54.0640 CB :: 32.4130 CG :: 34.0500 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 :: 8.1140 HA :: 4.4310 HB2 :: 1.3970 HB3 :: 0.5170(S) HG2 :: 2.1150 HG3 :: 2.0690 HE21 :: 7.0780 HE22 :: 7.0100 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 :: 122.9410 NE2 :: 112.0500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 174.2040 CA :: 61.4010 CB :: 71.6910 CG2 :: 21.3800 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 :: 8.1120 HA :: 5.4140 HB :: 3.8940 HG21 :: 1.1670 HG22 :: 1.1670 HG23 :: 1.1670 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 :: 115.9720 Ave N Shift Values>> N :: 115.42(4.75) 1.F97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.21 HN Overlap>> 1.V86 1.V86 C Shift Assignments>> C :: 170.4770 CA :: 56.7710 CB :: 41.9800 CD1 :: 132.0600 CD2 :: 132.0600 CE1 :: 130.2400 CE2 :: 130.2400 CZ :: 129.2000 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 :: 9.2230 HA :: 5.0430 HB2 :: 3.2770 HB3 :: 3.1170 HD1 :: 6.9280 HD2 :: 6.9280 HE1 :: 6.6700 HE2 :: 6.6700 HZ :: 6.3700 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.7430 Ave N Shift Values>> N :: 120.45(4.18) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.48 G 0.01 A 0.01 HN Overlap>> 1.V54 1.V54 C Shift Assignments>> C :: 176.8390 CA :: 54.2730 CB :: 35.8230 CG :: 24.4500 CD :: 29.5900 CE :: 42.1300 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 :: 8.5310 HA :: 5.3540 HB2 :: 1.7010 HB3 :: 1.5170 HG2 :: 1.1150 HG3 :: 1.6080 HD2 :: 1.4870 HD3 :: 1.4870 HE2 :: 2.7350 HE3 :: 2.7350 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 :: 121.4350 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 T 0.01 C Shift Assignments>> C :: 176.2360 CA :: 61.2630 CB :: 70.0490 CG2 :: 25.6000(S) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.6820 HA :: 4.3870 HB :: 4.9290 HG21 :: 1.2770 HG22 :: 1.2770 HG23 :: 1.2770 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 :: 114.4130 Ave N Shift Values>> N :: 115.42(4.75) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 A 0.34 L 0.28 G 0.01 C Shift Assignments>> C :: 177.2070 CA :: 54.5070 CB :: 42.2010 CG :: 27.1600 CD1 :: 21.3800 CD2 :: 26.0700 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 :: 7.1890 HA :: 4.3370 HB2 :: 1.3500 HB3 :: 1.8300 HG :: 1.4540 HD11 :: 0.9200 HD12 :: 0.9200 HD13 :: 0.9200 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 :: 117.6570 Ave N Shift Values>> N :: 121.86(3.9) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.05 C 0.01 C Shift Assignments>> C :: 177.5480 CA :: 51.8880 CB :: 19.5650 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1360 HA :: 4.4560 HB1 :: 1.3720 HB2 :: 1.3720 HB3 :: 1.3720 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.9330 Ave N Shift Values>> N :: 123.23(3.54) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.3 G 0.03 A 0.01 C Shift Assignments>> C :: 177.2560 CA :: 55.4890 CB :: 42.7630 CG :: 27.0000 CD1 :: 24.5500 CD2 :: 23.6000 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 :: 8.5660 HA :: 4.2720 HB2 :: 1.5940 HB3 :: 1.5940 HG :: 1.5760 HD11 :: 0.9510 HD12 :: 0.9510 HD13 :: 0.9510 HD21 :: 0.8870 HD22 :: 0.8870 HD23 :: 0.8870 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 :: 121.0430 Ave N Shift Values>> N :: 121.86(3.9) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.31 M 0.1 Q 0.08 K 0.07 I 0.02 C Shift Assignments>> C :: 176.2910 CA :: 56.3790 CB :: 30.1890 CG :: 36.0500 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 :: 8.4430 HA :: 4.3440 HB2 :: 2.0600 HB3 :: 1.9600 HG2 :: 2.2800 HG3 :: 2.2800 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 :: 122.0160 Ave N Shift Values>> N :: 120.67(3.48) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T70 1.S29 1.T70 1.S29 C Shift Assignments>> C :: 174.5170 CA :: 58.3210 CB :: 63.9300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3000 HA :: 4.4520 HB2 :: 3.8740 HB3 :: 3.8740 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 :: 117.4520 Ave N Shift Values>> N :: 116.28(3.52) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.45 C Shift Assignments>> C :: 176.6320 CA :: 56.3200 CB :: 33.0440 CG :: 24.7300 CD :: 29.2900 CE :: 42.1000 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 :: 8.3680 HA :: 4.4200 HB2 :: 1.8890 HB3 :: 1.7900 HG2 :: 1.4630 HG3 :: 1.4630 HD2 :: 1.6900 HD3 :: 1.6900 HE2 :: 2.9980 HE3 :: 2.9980 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.3070 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.8440 CA :: 58.4930 CB :: 63.9480 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3290 HA :: 4.5060 HB2 :: 3.8970 HB3 :: 3.8970 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 :: 116.8100 Ave N Shift Values>> N :: 116.28(3.52) 1.T107 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 :: 174.5020 CA :: 61.8850 CB :: 69.7910 CG2 :: 21.4500 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 :: 8.1430 HA :: 4.4140 HB :: 4.3050 HG21 :: 1.2150 HG22 :: 1.2150 HG23 :: 1.2150 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 :: 115.5770 Ave N Shift Values>> N :: 115.42(4.75) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.A69 1.A69 C Shift Assignments>> C :: 174.2190 CA :: 58.2160 CB :: 63.9490 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2230 HA :: 4.5020 HB2 :: 3.8520 HB3 :: 3.8520 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 :: 118.0820 Ave N Shift Values>> N :: 116.28(3.52) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> 1.Q28 1.Q28 C Shift Assignments>> C :: 176.1720 CA :: 61.2130 CB :: 38.7050 CG1 :: 27.2300 CG2 :: 17.3900 CD1 :: 12.9300 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 :: 8.0950 HA :: 4.2260 HB :: 1.8810 HG12 :: 1.4680 HG13 :: 1.1920 HG21 :: 0.8980 HG22 :: 0.8980 HG23 :: 0.8980 HD11 :: 0.8650 HD12 :: 0.8650 HD13 :: 0.8650 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 :: 122.7000 Ave N Shift Values>> N :: 121.46(4.28) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 176.0980 CA :: 62.2170 CB :: 32.7780 CG1 :: 20.9000 CG2 :: 20.9000 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 :: 8.1480 HA :: 4.1800 HB :: 2.0660 HG11 :: 0.9400 HG12 :: 0.9400 HG13 :: 0.9400 HG21 :: 0.9400 HG22 :: 0.9400 HG23 :: 0.9400 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 :: 124.2060 Ave N Shift Values>> N :: 121.14(4.54) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7700 CA :: 58.1740 CB :: 64.0300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3730 HA :: 4.5590 HB2 :: 3.8740 HB3 :: 3.8740 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 :: 119.8220 Ave N Shift Values>> N :: 116.28(3.52) 1.T112 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 :: 174.5240 CA :: 61.6650 CB :: 69.7920 CG2 :: 21.2900 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 :: 8.1660 HA :: 4.4380 HB :: 4.2900 HG21 :: 1.2130 HG22 :: 1.2130 HG23 :: 1.2130 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 :: 115.6920 Ave N Shift Values>> N :: 115.42(4.75) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1810 CA :: 58.2840 CB :: 63.9990 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2600 HA :: 4.5420 HB2 :: 3.8630 HB3 :: 3.8630 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 :: 117.8760 Ave N Shift Values>> N :: 116.28(3.52) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 HN Overlap>> 1.Y89 1.Y89 C Shift Assignments>> C :: 172.7360 CA :: 59.7740 CB :: 69.8620 CG2 :: 21.5500 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 :: 8.1340 HA :: 4.6130 HB :: 4.1630 HG21 :: 1.2570 HG22 :: 1.2570 HG23 :: 1.2570 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 :: 118.3460 Ave N Shift Values>> N :: 115.42(4.75) 1.P115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.7740 CA :: 63.1390 CB :: 32.0480 CG :: 27.3040 CD :: 50.9800 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 :: 4.4900 HB2 :: 2.3000 HB3 :: 1.9060 HG2 :: 2.0290 HG3 :: 2.0290 HD2 :: 3.8430 HD3 :: 3.7200 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.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 173.0290 CA :: 59.8500 CB :: 69.8320 CG2 :: 21.3800 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 :: 8.2320 HA :: 4.5820 HB :: 4.1610 HG21 :: 1.2610 HG22 :: 1.2610 HG23 :: 1.2610 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 :: 117.1210 Ave N Shift Values>> N :: 115.42(4.75) 1.P117 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 :: 176.8110 CA :: 63.3550 CB :: 32.0630 CG :: 27.4000 CD :: 51.2000 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 :: 4.4460 HB2 :: 1.9410 HB3 :: 2.3190 HG2 :: 2.0260 HG3 :: 2.0260 HD2 :: 3.8400 HD3 :: 3.7260 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.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1370 CA :: 58.2970 CB :: 63.9190 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2980 HA :: 4.4250 HB2 :: 3.8570 HB3 :: 3.8570 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 :: 115.9970 Ave N Shift Values>> N :: 116.28(3.52) 1.M119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.31 C 0.2 C Shift Assignments>> C :: 173.6520 CA :: 53.3810 CB :: 32.7590 CG :: 32.3000 CE :: 16.9200 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 :: 8.2000 HA :: 4.8190 HB2 :: 1.9540 HB3 :: 2.0600 HG2 :: 2.6340 HG3 :: 2.5690 HE1 :: 2.0150 HE2 :: 2.0150 HE3 :: 2.0150 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 :: 123.0990 Ave N Shift Values>> N :: 120.09(3.57) 1.P120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.7210 CA :: 63.0640 CB :: 32.0000 CG :: 27.3300 CD :: 50.8400 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 :: 4.4520 HB2 :: 2.2800 HB3 :: 1.8730 HG2 :: 2.0160 HG3 :: 2.0160 HD2 :: 3.6890 HD3 :: 3.8400 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.V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 HN Overlap>> 1.K72 1.K72 C Shift Assignments>> C :: 176.1140 CA :: 62.5130 CB :: 32.7130 CG1 :: 20.9000 CG2 :: 20.9000 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 :: 8.1220 HA :: 4.0690 HB :: 2.0390 HG11 :: 0.9400 HG12 :: 0.9400 HG13 :: 0.9400 HG21 :: 0.9400 HG22 :: 0.9400 HG23 :: 0.9400 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.4760 Ave N Shift Values>> N :: 121.14(4.54) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.44 G 0.01 C Shift Assignments>> C :: 176.3010 CA :: 56.3110 CB :: 33.0690 CG :: 24.7600 CD :: 29.0800 CE :: 42.3200 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 :: 4.3550 HB2 :: 1.7690 HB3 :: 1.7690 HG2 :: 1.4400 HG3 :: 1.4400 HD2 :: 1.6900 HD3 :: 1.6900 HE2 :: 2.9900 HE3 :: 2.9900 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 :: 125.2240 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.1560 CA :: 62.4040 CB :: 32.9720 CG1 :: 20.9000 CG2 :: 20.9000 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 :: 8.1330 HA :: 4.1710 HB :: 2.0530 HG11 :: 0.9400 HG12 :: 0.9400 HG13 :: 0.9400 HG21 :: 0.9400 HG22 :: 0.9400 HG23 :: 0.9400 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 :: 122.0810 Ave N Shift Values>> N :: 121.14(4.54) 1.T124 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 :: 174.2470 CA :: 61.8810 CB :: 69.8080 CG2 :: 21.2800 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 :: 8.1930 HA :: 4.3370 HB :: 4.1710 HG21 :: 1.1730 HG22 :: 1.1730 HG23 :: 1.1730 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 :: 118.6860 Ave N Shift Values>> N :: 115.42(4.75) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.28 G 0.01 A 0.01 C Shift Assignments>> C :: 176.9710 CA :: 55.2010 CB :: 42.4180 CG :: 26.8500 CD1 :: 24.6900 CD2 :: 23.5500 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 :: 8.2190 HA :: 4.3300 HB2 :: 1.5200 HB3 :: 1.5800 HG :: 1.5720 HD11 :: 0.8880 HD12 :: 0.8880 HD13 :: 0.8880 HD21 :: 0.8330 HD22 :: 0.8330 HD23 :: 0.8330 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 :: 124.9320 Ave N Shift Values>> N :: 121.86(3.9) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.32 M 0.11 Q 0.08 K 0.07 I 0.02 C Shift Assignments>> C :: 176.1800 CA :: 56.4540 CB :: 30.3060 CG :: 36.0300 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 :: 8.2130 HA :: 4.1780 HB2 :: 1.8730 HB3 :: 1.8730 HG2 :: 2.1940 HG3 :: 2.1520 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 :: 121.3950 Ave N Shift Values>> N :: 120.67(3.48) 1.H127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.17 K 0.16 W 0.13 C 0.12 E 0.12 M 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 174.4080 CA :: 55.4010 CB :: 29.2070 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 :: 8.4100 HA :: 4.6150 HB2 :: 3.0700 HB3 :: 3.1300 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 :: 119.4220 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H130 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.17 H 0.17 W 0.14 K 0.14 E 0.14 C 0.13 M 0.06 C Shift Assignments>> C :: 173.5780 CA :: 55.6340 CB :: 29.5980 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>> HA :: 4.6470 HB2 :: 3.2140 HB3 :: 3.2140 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) 1.H132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 W 0.16 Q 0.15 H 0.15 C 0.14 K 0.13 M 0.04 I 0.02 C Shift Assignments>> C :: 178.8240 CA :: 57.2080 CB :: 29.6300 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 :: 8.2690 HA :: 4.4450 HB2 :: 3.1300 HB3 :: 3.2370 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 :: 125.3870 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 124 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 128 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 132 #Suspicious: 0 C Shift Results: #Consistent: 552 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 860 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 126 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.T15 N = 96.6220(S), Expected = 115.42, Std = 4.7500, ChiSquare = 7.5747e-05 1.I19 HB = 0.3240(S), Expected = 1.78, Std = 0.2900, ChiSquare = 5.1486e-07 1.I19 HG21 = -0.4880(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.1735e-06 1.I19 HG22 = -0.4880(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.1735e-06 1.I19 HG23 = -0.4880(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.1735e-06 1.K53 HB3 = 0.6210(S), Expected = 1.74, Std = 0.2700, ChiSquare = 3.4064e-05 1.P64 CB = 35.7820(S), Expected = 31.85, Std = 1.1800, ChiSquare = 8.6161e-04 1.Y80 HB2 = 1.1910(S), Expected = 2.91, Std = 0.3700, ChiSquare = 3.3852e-06 1.Q81 HB2 = 0.9650(S), Expected = 2.05, Std = 0.2500, ChiSquare = 1.4248e-05 1.Q95 HB3 = 0.5170(S), Expected = 2.02, Std = 0.2800, ChiSquare = 7.9678e-08 1.T99 CG2 = 25.6000(S), Expected = 21.55, Std = 1.1100, ChiSquare = 2.6362e-04