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.Y2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 173.0960 CA :: 57.5110 CB :: 39.5670 CD1 :: 133.2300 CD2 :: 133.2300 CE1 :: 118.1000 CE2 :: 118.1000 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>> HA :: 4.7320 HB2 :: 2.7670 HB3 :: 2.6350 HD1 :: 6.8670 HD2 :: 6.8670 HE1 :: 6.7720 HE2 :: 6.7720 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) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 L 0.16 C 0.08 HN Overlap>> 2.R128 2.R128 C Shift Assignments>> C :: 173.7870 CA :: 50.5410 CB :: 21.9240 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.2440 HA :: 4.6830 HB1 :: 0.7150 HB2 :: 0.7150 HB3 :: 0.7150 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.6050 Ave N Shift Values>> N :: 123.23(3.54) 1.Y4 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.71 C 0.22 G 0.06 C Shift Assignments>> C :: 174.6800 CA :: 56.7400 CB :: 42.7800 CD1 :: 132.8400 CD2 :: 132.8400 CE1 :: 117.1300 CE2 :: 117.1300 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 :: 8.3840 HA :: 5.2210 HB2 :: 2.6460 HB3 :: 2.4440 HD1 :: 6.4600 HD2 :: 6.4600 HE1 :: 5.5330(S) HE2 :: 5.5330(S) 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 :: 116.0720 Ave N Shift Values>> N :: 120.52(4.2) 1.V5 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 :: 175.2960 CA :: 60.3540 CB :: 35.5320 CG1 :: 20.5300 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>> H :: 9.2190 HA :: 5.2460 HB :: 1.9020 HG11 :: 0.8540 HG12 :: 0.8540 HG13 :: 0.8540 HG21 :: 0.8370 HG22 :: 0.8370 HG23 :: 0.8370 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 :: 122.2430 Ave N Shift Values>> N :: 121.14(4.54) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.28 R 0.21 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.8770 CA :: 44.2060 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.9810 HA2 :: 4.9990 HA3 :: 3.6960 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.2130 Ave N Shift Values>> N :: 109.67(3.87) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.48 C Shift Assignments>> C :: 174.1220 CA :: 60.3770 CB :: 41.4220 CG1 :: 27.5600 CG2 :: 17.4600 CD1 :: 15.4300 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 :: 8.9210 HA :: 4.8060 HB :: 1.6490 HG12 :: 1.4580 HG13 :: 0.9490 HG21 :: 0.7430 HG22 :: 0.7430 HG23 :: 0.7430 HD11 :: 0.7480 HD12 :: 0.7480 HD13 :: 0.7480 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 :: 121.4390 Ave N Shift Values>> N :: 121.46(4.28) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.25 D 0.13 G 0.12 C 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 173.8610 CA :: 54.0070 CB :: 43.6600 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 :: 9.0340 HA :: 5.4650 HB2 :: 2.5030 HB3 :: 2.5030 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 :: 127.8910 Ave N Shift Values>> N :: 120.65(3.86) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 176.1170 CA :: 59.8240 CB :: 40.9500 CG1 :: 28.0200 CG2 :: 17.1800 CD1 :: 14.3500 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 :: 8.6250 HA :: 4.4560 HB :: 1.5410 HG12 :: 0.9070 HG13 :: 1.5380 HG21 :: 0.8840 HG22 :: 0.8840 HG23 :: 0.8840 HD11 :: 0.7240 HD12 :: 0.7240 HD13 :: 0.7240 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 :: 121.5800 Ave N Shift Values>> N :: 121.46(4.28) 1.N10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.25 L 0.14 F 0.1 Y 0.08 C 0.07 K 0.01 HN Overlap>> 2.L111 2.L111 C Shift Assignments>> C :: 181.8410(S) CA :: 53.9740 CB :: 40.1360 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 :: 9.1580 HA :: 4.8920 HB2 :: 2.5990 HB3 :: 3.5840 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 :: 123.0500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.P1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.6 C 0.39 C Shift Assignments>> C :: 174.2480 CA :: 62.7260 CB :: 33.2660 CG :: 27.0800 CD :: 49.3300 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 :: 4.0280 HB2 :: 1.5250 HB3 :: 1.4710 HG2 :: 0.9180 HG3 :: 1.3900 HD2 :: 3.0180 HD3 :: 2.3330 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) 2.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.6350 CA :: 58.1400 CB :: 65.0050 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8290 HA :: 5.5360 HB2 :: 3.8810 HB3 :: 3.5960 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 :: 119.8950 Ave N Shift Values>> N :: 116.28(3.52) 2.I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 G 0.33 I 0.01 C Shift Assignments>> C :: 174.8290 CA :: 59.5900 CB :: 44.3700 CG1 :: 30.8700 CG2 :: 18.1200 CD1 :: 15.5700 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 :: 9.1870 HA :: 4.8850 HB :: 1.5400 HG12 :: 1.5520 HG13 :: 1.0070 HG21 :: 0.8560 HG22 :: 0.8560 HG23 :: 0.8560 HD11 :: 0.7680 HD12 :: 0.7680 HD13 :: 0.7680 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 :: 127.9540 Ave N Shift Values>> N :: 121.46(4.28) 2.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 M 0.01 HN Overlap>> 2.W6 2.W6 C Shift Assignments>> C :: 173.7630 CA :: 55.4500 CB :: 34.9570 CG :: 38.2500 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 :: 9.4000 HA :: 5.4160 HB2 :: 1.9980 HB3 :: 2.1660 HG2 :: 2.3450 HG3 :: 2.3450 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 :: 127.2940 Ave N Shift Values>> N :: 120.67(3.48) 2.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.18 A 0.12 G 0.08 R 0.04 C Shift Assignments>> C :: 175.4160 CA :: 53.1160 CB :: 43.0460 CG :: 26.4600 CD1 :: 22.7600 CD2 :: 25.5400 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 :: 10.0900 HA :: 5.1070 HB2 :: 1.2780 HB3 :: 2.0990 HG :: 1.6730 HD11 :: 0.7660 HD12 :: 0.7660 HD13 :: 0.7660 HD21 :: 0.7820 HD22 :: 0.7820 HD23 :: 0.7820 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 :: 123.7500 Ave N Shift Values>> N :: 121.86(3.9) 2.W6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 HN Overlap>> 2.E4 2.E4 C Shift Assignments>> C :: 174.5290 CA :: 55.6950 CB :: 29.5530 CD1 :: 123.4900 CE3 :: 121.2000 CZ2 :: 114.3600 CZ3 :: 121.9400 CH2 :: 124.8300 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 :: 9.3560 HA :: 5.0800 HB2 :: 3.0850 HB3 :: 3.3480 HD1 :: 7.0030 HE1 :: 10.9730 HE3 :: 7.4480 HZ2 :: 7.4380 HZ3 :: 7.1870 HH2 :: 7.2740 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 :: 127.2790 NE1 :: 129.5100 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.4 C Shift Assignments>> C :: 175.4890 CA :: 59.0000 CB :: 36.9000 CG1 :: 26.7800 CG2 :: 17.2400 CD1 :: 10.9300 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 :: 8.6630 HA :: 4.4600 HB :: 1.8060 HG12 :: 1.3550 HG13 :: 1.0030 HG21 :: 1.1370 HG22 :: 1.1370 HG23 :: 1.1370 HD11 :: 0.4410 HD12 :: 0.4410 HD13 :: 0.4410 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 :: 125.9930 Ave N Shift Values>> N :: 121.46(4.28) 2.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.3 L 0.09 C 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 176.3100 CA :: 51.7700 CB :: 40.0520 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 :: 8.8460 HA :: 4.9890 HB2 :: 3.3430 HB3 :: 2.9720 HD21 :: 7.6100 HD22 :: 7.0100 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 :: 124.4160 ND2 :: 112.3100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Y9 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 :: 174.9200 CA :: 59.8230 CB :: 37.8450 CD1 :: 133.0000 CD2 :: 133.0000 CE1 :: 118.2800 CE2 :: 118.2800 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 :: 8.0890 HA :: 3.9360 HB2 :: 2.9270 HB3 :: 2.9270 HD1 :: 6.9280 HD2 :: 6.9280 HE1 :: 6.7670 HE2 :: 6.7670 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 :: 116.0600 Ave N Shift Values>> N :: 120.52(4.2) 2.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 C 0.11 D 0.09 Y 0.04 F 0.04 L 0.01 M 0.01 E 0.01 C Shift Assignments>> C :: 174.5700 CA :: 52.3310 CB :: 38.0170 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 :: 7.7100 HA :: 4.6750 HB2 :: 2.8210 HB3 :: 2.7030 HD21 :: 7.4760 HD22 :: 7.0450 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 :: 115.7780 ND2 :: 112.0500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 E 0.21 M 0.18 N 0.11 K 0.06 Q 0.05 Y 0.05 F 0.02 C Shift Assignments>> C :: 173.5450 CA :: 54.5470 CB :: 35.8580 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 :: 8.5950 HA :: 4.4200 HB2 :: 3.0770 HB3 :: 2.9480 HD21 :: 7.5140 HD22 :: 6.9540 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 :: 114.1090 ND2 :: 109.7100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.37 R 0.09 G 0.07 A 0.01 C Shift Assignments>> C :: 176.2020 CA :: 52.7610 CB :: 35.5530 CG :: 24.7800 CD :: 28.1300 CE :: 42.6000 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 :: 7.3260 HA :: 4.8270 HB2 :: 1.6990 HB3 :: 1.3710 HG2 :: 1.1110 HG3 :: 1.3530 HD2 :: 1.3600 HD3 :: 1.5790 HE2 :: 2.9510 HE3 :: 2.9510 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 :: 113.7620 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 HN Overlap>> 2.S55 2.S55 C Shift Assignments>> C :: 176.6820 CA :: 62.7100 CB :: 37.2000 CG1 :: 29.6700 CG2 :: 18.7200 CD1 :: 15.6700 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 :: 8.5690 HA :: 3.8800 HB :: 2.2340 HG12 :: 1.4390 HG13 :: 1.0760 HG21 :: 0.6280 HG22 :: 0.6280 HG23 :: 0.6280 HD11 :: 0.6990 HD12 :: 0.6990 HD13 :: 0.6990 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 :: 119.4050 Ave N Shift Values>> N :: 121.46(4.28) 2.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 L 0.17 C 0.07 M 0.02 C Shift Assignments>> C :: 177.3140 CA :: 53.2900 CB :: 21.1050 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.7920 HA :: 4.6170 HB1 :: 1.5760 HB2 :: 1.5760 HB3 :: 1.5760 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.8600 Ave N Shift Values>> N :: 123.23(3.54) 2.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 M 0.28 E 0.08 Q 0.01 C Shift Assignments>> C :: 172.8960 CA :: 54.8110 CB :: 33.9160 CG :: 35.5600 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 :: 7.5110 HA :: 4.4550 HB2 :: 1.5420 HB3 :: 1.5420 HG2 :: 1.8730 HG3 :: 1.7830 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 :: 112.3950 Ave N Shift Values>> N :: 120.67(3.48) 2.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 L 0.25 C 0.11 HN Overlap>> 2.A18 2.A18 C Shift Assignments>> C :: 174.9900 CA :: 50.5900 CB :: 22.2760 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9200 HA :: 5.0800 HB1 :: 1.1190 HB2 :: 1.1190 HB3 :: 1.1190 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.5730 Ave N Shift Values>> N :: 123.23(3.54) 2.K17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 K 0.44 A 0.06 R 0.04 C Shift Assignments>> C :: 175.0520 CA :: 53.4110 CB :: 34.8800 CG :: 23.5900 CD :: 28.1300 CE :: 41.6500 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 :: 9.1960 HA :: 4.4790 HB2 :: 1.5640 HB3 :: 1.5640 HG2 :: 0.5700 HG3 :: 0.9300 HD2 :: 1.1900 HD3 :: 1.1900 HE2 :: 1.9400(S) HE3 :: 2.1170(S) 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 :: 120.7920 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 C 0.02 M 0.02 L 0.01 HN Overlap>> 2.A16 2.A16 C Shift Assignments>> C :: 177.3430 CA :: 51.0080 CB :: 20.2240 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9460 HA :: 4.3680 HB1 :: 1.4100 HB2 :: 1.4100 HB3 :: 1.4100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.5820 Ave N Shift Values>> N :: 123.23(3.54) 2.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.4 R 0.06 A 0.02 HN Overlap>> 2.K100 2.K100 C Shift Assignments>> C :: 176.1800 CA :: 55.4110 CB :: 41.3090 CG :: 28.7700 CD1 :: 23.4700 CD2 :: 25.2000 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 :: 8.5430 HA :: 4.4540 HB2 :: 1.3890 HB3 :: 1.6990 HG :: 1.4860 HD11 :: 0.7060 HD12 :: 0.7060 HD13 :: 0.7060 HD21 :: 0.7620 HD22 :: 0.7620 HD23 :: 0.7620 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 :: 121.9800 Ave N Shift Values>> N :: 121.86(3.9) 2.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.22 C 0.07 L 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.5530 CA :: 51.0850 CB :: 39.5750 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 :: 7.5710 HA :: 4.7770 HB2 :: 3.3850 HB3 :: 3.2670 HD21 :: 7.6670 HD22 :: 7.0180 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 :: 113.4770 ND2 :: 112.6900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.1 P 0.06 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 177.4130 CA :: 47.6750 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8720 HA2 :: 4.0200 HA3 :: 3.8400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9900 Ave N Shift Values>> N :: 109.67(3.87) 2.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 L 0.14 D 0.13 C 0.1 K 0.06 I 0.04 N 0.02 C Shift Assignments>> C :: 178.4690 CA :: 57.0490 CB :: 40.4920 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 :: 8.6400 HA :: 4.5210 HB2 :: 2.1370 HB3 :: 1.9320 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 :: 120.9630 Ave N Shift Values>> N :: 120.65(3.86) 2.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 L 0.32 C 0.14 V 0.04 M 0.03 T 0.02 C Shift Assignments>> C :: 178.5400 CA :: 55.0000 CB :: 21.2400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6950 HA :: 3.8160 HB1 :: 1.6000 HB2 :: 1.6000 HB3 :: 1.6000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.6830 Ave N Shift Values>> N :: 123.23(3.54) 2.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.32 E 0.25 K 0.04 Q 0.01 HN Overlap>> 2.V81 2.V81 C Shift Assignments>> C :: 179.3400 CA :: 59.9030 CB :: 28.6900 CG :: 36.7000 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 :: 7.8290 HA :: 3.8750 HB2 :: 2.3960 HB3 :: 2.1350 HG2 :: 2.4420 HG3 :: 2.1930 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 :: 120.0570 Ave N Shift Values>> N :: 120.67(3.48) 2.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 176.3350 CA :: 65.6370 CB :: 68.5310 CG2 :: 22.9500 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 :: 7.6400 HA :: 4.0900 HB :: 4.4780 HG21 :: 1.4690 HG22 :: 1.4690 HG23 :: 1.4690 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 :: 113.8980 Ave N Shift Values>> N :: 115.42(4.75) 2.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 176.3820 CA :: 66.3790 CB :: 32.1320 CG1 :: 22.3900 CG2 :: 24.1100 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 :: 7.3940 HA :: 3.5060 HB :: 2.0850 HG11 :: 0.8320 HG12 :: 0.8320 HG13 :: 0.8320 HG21 :: 1.0240 HG22 :: 1.0240 HG23 :: 1.0240 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 :: 119.8970 Ave N Shift Values>> N :: 121.14(4.54) 2.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.36 R 0.03 A 0.01 C Shift Assignments>> C :: 178.1910 CA :: 56.4480 CB :: 41.8600 CG :: 26.6100 CD1 :: 23.0300 CD2 :: 25.4600 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 :: 8.0040 HA :: 3.9440 HB2 :: 1.5700 HB3 :: 1.8000 HG :: 1.7410 HD11 :: 0.7090 HD12 :: 0.7090 HD13 :: 0.7090 HD21 :: 0.6880 HD22 :: 0.6880 HD23 :: 0.6880 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 :: 114.2810 Ave N Shift Values>> N :: 121.86(3.9) 2.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.12 K 0.1 Q 0.06 M 0.01 C Shift Assignments>> C :: 176.7400 CA :: 58.7030 CB :: 29.0780 CG :: 36.0000 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 :: 7.3970 HA :: 4.0250 HB2 :: 2.1790 HB3 :: 2.0730 HG2 :: 2.2860 HG3 :: 2.2860 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 :: 121.0600 Ave N Shift Values>> N :: 120.67(3.48) 2.G29 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 R 0.01 C Shift Assignments>> C :: 174.5380 CA :: 45.3790 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6560 HA2 :: 4.1420 HA3 :: 3.8690 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.3500 Ave N Shift Values>> N :: 109.67(3.87) 2.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.2 R 0.11 G 0.05 A 0.04 C Shift Assignments>> C :: 176.4550 CA :: 54.0350 CB :: 42.9930 CG :: 26.5300 CD1 :: 26.6500 CD2 :: 23.2300 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 :: 7.9210 HA :: 4.6140 HB2 :: 1.7900 HB3 :: 1.2210 HG :: 1.7640 HD11 :: 0.7930 HD12 :: 0.7930 HD13 :: 0.7930 HD21 :: 0.8780 HD22 :: 0.8780 HD23 :: 0.8780 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 :: 120.5270 Ave N Shift Values>> N :: 121.86(3.9) 2.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.3 K 0.1 Q 0.09 M 0.07 I 0.01 C Shift Assignments>> C :: 175.9860 CA :: 55.0920 CB :: 29.7140 CG :: 36.1000 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 :: 9.2590 HA :: 4.6260 HB2 :: 2.0210 HB3 :: 1.9040 HG2 :: 2.1800 HG3 :: 2.1800 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 :: 125.3270 Ave N Shift Values>> N :: 120.67(3.48) 2.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.21 R 0.11 G 0.05 A 0.05 C Shift Assignments>> C :: 176.0870 CA :: 54.4200 CB :: 43.0430 CG :: 26.7100 CD1 :: 26.4000 CD2 :: 22.9800 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 :: 8.6980 HA :: 4.3510 HB2 :: 1.5420 HB3 :: 1.4330 HG :: 1.5230 HD11 :: 0.6960 HD12 :: 0.6960 HD13 :: 0.6960 HD21 :: 0.7430 HD22 :: 0.7430 HD23 :: 0.7430 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 :: 123.2880 Ave N Shift Values>> N :: 121.86(3.9) 2.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.37 R 0.17 C Shift Assignments>> C :: 177.7160 CA :: 59.1810 CB :: 32.1650 CG :: 25.8000 CD :: 29.7100 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 :: 7.8440 HA :: 3.7240 HB2 :: 1.7910 HB3 :: 1.7910 HG2 :: 1.3420 HG3 :: 1.5950 HD2 :: 1.7860 HD3 :: 1.7860 HE2 :: 3.1200 HE3 :: 3.1200 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 :: 117.9250 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 I 0.28 E 0.21 K 0.03 Q 0.02 C Shift Assignments>> C :: 175.3820 CA :: 58.7320 CB :: 27.3340 CG :: 36.5700 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 :: 9.3800 HA :: 3.7770 HB2 :: 2.3570 HB3 :: 2.3570 HG2 :: 2.1920 HG3 :: 2.3520 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 :: 114.0220 Ave N Shift Values>> N :: 120.67(3.48) 2.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.39 K 0.13 G 0.01 HN Overlap>> 2.E154 2.E154 C Shift Assignments>> C :: 176.5830 CA :: 56.3190 CB :: 33.9240 CG :: 27.3300 CD :: 29.6700 CE :: 42.5400 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 :: 7.5950 HA :: 4.6680 HB2 :: 2.0480 HB3 :: 2.0480 HG2 :: 1.3620 HG3 :: 1.3620 HD2 :: 1.5810 HD3 :: 1.5810 HE2 :: 3.0300 HE3 :: 3.0300 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 :: 118.9600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 175.9500 CA :: 60.9820 CB :: 70.7850 CG2 :: 22.2100 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 :: 8.4930 HA :: 4.6280 HB :: 5.0910 HG21 :: 1.3730 HG22 :: 1.3730 HG23 :: 1.3730 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 :: 109.1180 Ave N Shift Values>> N :: 115.42(4.75) 2.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.8220 CA :: 67.9060 CB :: 31.3360 CG1 :: 21.7000 CG2 :: 23.9900 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 :: 10.0540 HA :: 3.4070 HB :: 2.0240 HG11 :: 0.7580 HG12 :: 0.7580 HG13 :: 0.7580 HG21 :: 0.9250 HG22 :: 0.9250 HG23 :: 0.9250 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 :: 121.0680 Ave N Shift Values>> N :: 121.14(4.54) 2.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 A 0.16 I 0.09 C 0.02 HN Overlap>> 2.E114 2.E114 C Shift Assignments>> C :: 180.7490 CA :: 56.2250 CB :: 17.6370 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8380 HA :: 3.9070 HB1 :: 1.4890 HB2 :: 1.4890 HB3 :: 1.4890 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.7500 Ave N Shift Values>> N :: 123.23(3.54) 2.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.3 I 0.12 M 0.04 C Shift Assignments>> C :: 179.0610 CA :: 59.1640 CB :: 30.7370 CG :: 37.3800 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 :: 7.6410 HA :: 4.0560 HB2 :: 2.3000 HB3 :: 2.0440 HG2 :: 2.3300 HG3 :: 2.3300 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 :: 117.5470 Ave N Shift Values>> N :: 120.67(3.48) 2.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.19 C 0.08 L 0.06 V 0.03 I 0.01 T 0.01 C Shift Assignments>> C :: 179.5270 CA :: 55.2030 CB :: 19.9740 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4610 HA :: 3.9390 HB1 :: 1.4150 HB2 :: 1.4150 HB3 :: 1.4150 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.6660 Ave N Shift Values>> N :: 123.23(3.54) 2.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.1110 CA :: 67.8940 CB :: 30.9560 CG1 :: 22.0300 CG2 :: 23.7000 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 :: 9.0680 HA :: 3.3120 HB :: 2.0900 HG11 :: 0.8410 HG12 :: 0.8410 HG13 :: 0.8410 HG21 :: 0.9000 HG22 :: 0.9000 HG23 :: 0.9000 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 :: 116.8710 Ave N Shift Values>> N :: 121.14(4.54) 2.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 C 0.17 I 0.1 D 0.05 L 0.03 N 0.02 E 0.01 C Shift Assignments>> C :: 177.6470 CA :: 57.7310 CB :: 38.9750 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 :: 7.6370 HA :: 4.3590 HB2 :: 2.9740 HB3 :: 2.8490 HD21 :: 7.6780 HD22 :: 7.1240 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 :: 117.0390 ND2 :: 113.8400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.26 E 0.23 M 0.01 K 0.01 HN Overlap>> 2.L159 2.L159 C Shift Assignments>> C :: 180.0240 CA :: 60.6770 CB :: 30.2140 CG :: 37.0600 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 :: 7.9730 HA :: 4.0100 HB2 :: 2.1800 HB3 :: 2.0230 HG2 :: 2.5560 HG3 :: 2.2000 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 :: 118.3640 Ave N Shift Values>> N :: 120.67(3.48) 2.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 179.1300 CA :: 65.5910 CB :: 38.3920 CG1 :: 30.6300 CG2 :: 17.4400 CD1 :: 14.5700 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 :: 8.6420 HA :: 3.3930 HB :: 1.9290 HG12 :: 0.6070 HG13 :: 1.8440 HG21 :: 0.6810 HG22 :: 0.6810 HG23 :: 0.6810 HD11 :: 0.6950 HD12 :: 0.6950 HD13 :: 0.6950 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 :: 120.0820 Ave N Shift Values>> N :: 121.46(4.28) 2.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 177.4760 CA :: 67.9440 CB :: 30.8900 CG1 :: 20.9100 CG2 :: 24.1500 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 :: 9.0120 HA :: 3.4010 HB :: 2.2410 HG11 :: 0.8550 HG12 :: 0.8550 HG13 :: 0.8550 HG21 :: 0.9560 HG22 :: 0.9560 HG23 :: 0.9560 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 :: 124.6180 Ave N Shift Values>> N :: 121.14(4.54) 2.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.21 K 0.2 R 0.08 E 0.03 I 0.03 M 0.01 P 0.01 HN Overlap>> 2.K71 2.Q82 2.K71 2.Q82 C Shift Assignments>> C :: 179.4150 CA :: 59.4780 CB :: 27.9970 CG :: 33.7000 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 :: 8.3120 HA :: 4.1000 HB2 :: 2.1800 HB3 :: 2.1800 HG2 :: 2.4900 HG3 :: 2.4900 HE21 :: 7.5780 HE22 :: 6.8100 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 :: 119.8050 NE2 :: 112.5100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.32 R 0.28 G 0.01 HN Overlap>> 2.K148 2.K148 C Shift Assignments>> C :: 178.5650 CA :: 57.9960 CB :: 31.8850 CG :: 24.5900 CD :: 28.0300 CE :: 42.4600 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 :: 8.0520 HA :: 4.3140 HB2 :: 2.0380 HB3 :: 2.0380 HG2 :: 2.1030 HG3 :: 1.5000 HD2 :: 1.9670 HD3 :: 1.9010 HE2 :: 3.0760 HE3 :: 3.0760 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 :: 119.8020 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.85 T 0.14 C Shift Assignments>> C :: 176.4080 CA :: 64.3500 CB :: 63.2120 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4830 HA :: 4.3090 HB2 :: 3.7240 HB3 :: 4.3310 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 :: 115.3640 Ave N Shift Values>> N :: 116.28(3.52) 2.M49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.42 C Shift Assignments>> C :: 179.3860 CA :: 59.1300 CB :: 32.7210 CG :: 32.5500 CE :: 17.1500 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 :: 8.4450 HA :: 4.5840 HB2 :: 2.3920 HB3 :: 2.2600 HG2 :: 2.6840 HG3 :: 2.6840 HE1 :: 2.0240 HE2 :: 2.0240 HE3 :: 2.0240 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 :: 123.0280 Ave N Shift Values>> N :: 120.09(3.57) 2.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 I 0.17 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.0120 CA :: 59.7000 CB :: 29.3700 CG :: 36.1000 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 :: 8.0590 HA :: 4.0310 HB2 :: 2.3380 HB3 :: 2.2310 HG2 :: 2.4990 HG3 :: 2.2660 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 :: 122.7720 Ave N Shift Values>> N :: 120.67(3.48) 2.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 C 0.31 L 0.14 G 0.1 A 0.09 C Shift Assignments>> C :: 177.1050 CA :: 54.9900 CB :: 43.4170 CG :: 27.2500 CD1 :: 22.2750 CD2 :: 27.5500 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 :: 7.8960 HA :: 4.2050 HB2 :: 1.4360 HB3 :: 1.6460 HG :: 1.8860 HD11 :: 0.8950 HD12 :: 0.8950 HD13 :: 0.8950 HD21 :: 0.9740 HD22 :: 0.9740 HD23 :: 0.9740 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 :: 115.2050 Ave N Shift Values>> N :: 121.86(3.9) 2.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.6830 CA :: 45.4710 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5540 HA2 :: 3.7700 HA3 :: 4.0810 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.8260 Ave N Shift Values>> N :: 109.67(3.87) 2.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.35 C 0.25 HN Overlap>> 2.S118 2.S118 C Shift Assignments>> C :: 175.5590 CA :: 59.7890 CB :: 39.5690 CD1 :: 130.6000 CD2 :: 130.6000 CE1 :: 132.1200 CE2 :: 132.1200 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 :: 7.9760 HA :: 4.5720 HB2 :: 3.2440 HB3 :: 2.6460 HD1 :: 7.2160 HD2 :: 7.2160 HE1 :: 7.3180 HE2 :: 7.3180 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 :: 117.4610 Ave N Shift Values>> N :: 120.45(4.18) 2.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 174.2480 CA :: 59.7030 CB :: 40.1790 CG1 :: 27.5200 CG2 :: 17.3400 CD1 :: 14.3800 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 :: 6.9600 HA :: 4.2950 HB :: 1.4370 HG12 :: 0.9090 HG13 :: 1.4090 HG21 :: 0.7470 HG22 :: 0.7470 HG23 :: 0.7470 HD11 :: 0.8950 HD12 :: 0.8950 HD13 :: 0.8950 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 :: 115.0080 Ave N Shift Values>> N :: 121.46(4.28) 2.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.I13 2.I13 C Shift Assignments>> C :: 175.1730 CA :: 56.8970 CB :: 65.0370 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5210 HA :: 4.7220 HB2 :: 3.9660 HB3 :: 3.6780 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 :: 119.3870 Ave N Shift Values>> N :: 116.28(3.52) 2.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.42 K 0.06 G 0.05 C Shift Assignments>> C :: 176.7840 CA :: 57.9420 CB :: 30.1120 CG :: 27.6100 CD :: 43.3200 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 :: 9.0230 HA :: 4.3100 HB2 :: 1.8590 HB3 :: 1.9660 HG2 :: 1.7370 HG3 :: 1.7370 HD2 :: 3.2500 HD3 :: 3.2500 HE :: 7.2820 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 :: 123.7140 NE :: 84.6800 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 M 0.08 K 0.05 Q 0.04 I 0.03 C Shift Assignments>> C :: 175.4010 CA :: 56.9270 CB :: 30.2270 CG :: 36.4800 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 :: 8.4630 HA :: 4.3400 HB2 :: 2.1830 HB3 :: 1.8950 HG2 :: 2.2340 HG3 :: 2.2340 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 :: 116.8970 Ave N Shift Values>> N :: 120.67(3.48) 2.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.4 R 0.06 G 0.02 A 0.01 C Shift Assignments>> C :: 174.7580 CA :: 54.6350 CB :: 35.0520 CG :: 24.2000 CD :: 29.3700 CE :: 42.3700 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 :: 7.4350 HA :: 4.5760 HB2 :: 1.8600 HB3 :: 1.7570 HG2 :: 1.3470 HG3 :: 1.3470 HD2 :: 1.6900 HD3 :: 1.6900 HE2 :: 3.0150 HE3 :: 3.0150 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 :: 118.4410 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.33 K 0.09 Q 0.05 I 0.05 M 0.03 C Shift Assignments>> C :: 175.6840 CA :: 56.8220 CB :: 29.4570 CG :: 36.3600 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 :: 8.2980 HA :: 4.3030 HB2 :: 1.9670 HB3 :: 1.9670 HG2 :: 2.2620 HG3 :: 2.2620 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 :: 120.0330 Ave N Shift Values>> N :: 120.67(3.48) 2.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.27 R 0.13 K 0.09 N 0.04 C 0.04 F 0.04 G 0.02 Y 0.02 C Shift Assignments>> C :: 172.9780 CA :: 52.9000 CB :: 42.5800 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 :: 8.5000 HA :: 5.1020 HB2 :: 2.6940 HB3 :: 2.5770 HD21 :: 7.6330 HD22 :: 7.5830 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 :: 121.0330 ND2 :: 118.2900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.44 C Shift Assignments>> C :: 172.7580 CA :: 58.6560 CB :: 40.7330 CG1 :: 28.8500 CG2 :: 17.1000 CD1 :: 14.3100 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 :: 8.1340 HA :: 5.1570 HB :: 1.6540 HG12 :: 0.8590 HG13 :: 1.2960 HG21 :: 0.7520 HG22 :: 0.7520 HG23 :: 0.7520 HD11 :: 0.7100 HD12 :: 0.7100 HD13 :: 0.7100 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 :: 118.0760 Ave N Shift Values>> N :: 121.46(4.28) 2.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.49 C Shift Assignments>> C :: 174.0890 CA :: 60.0940 CB :: 40.7920 CG1 :: 28.1500 CG2 :: 16.6000 CD1 :: 15.2500 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 :: 8.4910 HA :: 4.8320 HB :: 1.6490 HG12 :: 1.5450 HG13 :: 1.0260 HG21 :: 0.6880 HG22 :: 0.6880 HG23 :: 0.6880 HD11 :: 0.7670 HD12 :: 0.7670 HD13 :: 0.7670 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 :: 124.6270 Ave N Shift Values>> N :: 121.46(4.28) 2.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 G 0.18 C 0.14 R 0.01 C Shift Assignments>> C :: 176.1510 CA :: 52.8820 CB :: 43.7060 CG :: 27.1800 CD1 :: 24.7000 CD2 :: 24.7000 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 :: 8.7740 HA :: 5.0540 HB2 :: 1.5080 HB3 :: 1.5620 HG :: 1.5580 HD11 :: 0.6580 HD12 :: 0.6580 HD13 :: 0.6580 HD21 :: 0.6580 HD22 :: 0.6580 HD23 :: 0.6580 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 :: 125.1130 Ave N Shift Values>> N :: 121.86(3.9) 2.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 173.4900 CA :: 59.1800 CB :: 38.5700 CG1 :: 27.8700 CG2 :: 17.0900 CD1 :: 12.4500 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 :: 9.0810 HA :: 5.1250 HB :: 1.7510 HG12 :: 1.1000 HG13 :: 1.4110 HG21 :: 0.7930 HG22 :: 0.7930 HG23 :: 0.7930 HD11 :: 0.6740 HD12 :: 0.6740 HD13 :: 0.6740 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 :: 128.7890 Ave N Shift Values>> N :: 121.46(4.28) 2.S65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 174.7640 CA :: 55.2160 CB :: 66.1750 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.3710 HA :: 5.8930(S) HB2 :: 3.5090 HB3 :: 3.5090 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 :: 121.0060 Ave N Shift Values>> N :: 116.28(3.52) 2.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 173.3260 CA :: 60.2760 CB :: 71.8470 CG2 :: 21.1300 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 :: 8.4190 HA :: 5.4630 HB :: 4.0940 HG21 :: 1.0320 HG22 :: 1.0320 HG23 :: 1.0320 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 :: 112.2610 Ave N Shift Values>> N :: 115.42(4.75) 2.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 A 0.23 C 0.14 K 0.05 C Shift Assignments>> C :: 175.6660 CA :: 51.6630 CB :: 23.0720 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9360 HA :: 5.3710 HB1 :: 1.2800 HB2 :: 1.2800 HB3 :: 1.2800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.9890 Ave N Shift Values>> N :: 123.23(3.54) 2.C68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 H 0.14 W 0.14 Q 0.13 R 0.13 C 0.12 K 0.1 M 0.05 I 0.01 HN Overlap>> 2.S97 2.S97 C Shift Assignments>> C :: 172.1780 CA :: 56.9280 CB :: 29.8360 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.2920 HA :: 4.7750 HB2 :: 2.9910 HB3 :: 2.8510 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 :: 116.8710 Ave N Shift Values>> N :: 120.17(4.64) 2.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.22 N 0.13 K 0.09 F 0.07 C 0.05 Y 0.05 R 0.01 C Shift Assignments>> C :: 175.9660 CA :: 53.4110 CB :: 41.2690 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 :: 9.1430 HA :: 4.9990 HB2 :: 3.0280 HB3 :: 2.6360 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 :: 122.4440 Ave N Shift Values>> N :: 120.65(3.86) 2.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.31 R 0.05 G 0.01 C Shift Assignments>> C :: 177.8620 CA :: 55.9840 CB :: 42.3920 CG :: 26.9400 CD1 :: 23.6900 CD2 :: 25.1000 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 :: 8.3350 HA :: 4.3090 HB2 :: 1.7040 HB3 :: 1.7040 HG :: 1.7690 HD11 :: 0.9020 HD12 :: 0.9020 HD13 :: 0.9020 HD21 :: 0.9500 HD22 :: 0.9500 HD23 :: 0.9500 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 :: 124.6920 Ave N Shift Values>> N :: 121.86(3.9) 2.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.37 R 0.17 HN Overlap>> 2.Q46 2.Q46 C Shift Assignments>> C :: 176.8690 CA :: 56.4060 CB :: 32.5370 CG :: 24.8300 CD :: 28.9100 CE :: 42.2500 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 :: 8.3120 HA :: 4.3090 HB2 :: 1.8830 HB3 :: 1.8830 HG2 :: 1.4850 HG3 :: 1.4410 HD2 :: 1.7080 HD3 :: 1.7080 HE2 :: 3.0230 HE3 :: 3.0230 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 :: 119.8030 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.13 C 0.02 C Shift Assignments>> C :: 178.2200 CA :: 53.1790 CB :: 19.2650 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9480 HA :: 4.2550 HB1 :: 1.4430 HB2 :: 1.4430 HB3 :: 1.4430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.0880 Ave N Shift Values>> N :: 123.23(3.54) 2.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.2180 CA :: 45.3460 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3020 HA2 :: 3.8850 HA3 :: 3.9930 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.2940 Ave N Shift Values>> N :: 109.67(3.87) 2.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.09 K 0.05 Q 0.04 I 0.03 C Shift Assignments>> C :: 177.3740 CA :: 56.9360 CB :: 30.3210 CG :: 36.3900 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 :: 8.1510 HA :: 4.3030 HB2 :: 2.0790 HB3 :: 1.9820 HG2 :: 2.2780 HG3 :: 2.2780 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 :: 120.6450 Ave N Shift Values>> N :: 120.67(3.48) 2.G75 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 :: 174.8680 CA :: 45.4300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5940 HA2 :: 3.9760 HA3 :: 4.1060 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.5750 Ave N Shift Values>> N :: 109.67(3.87) 2.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.V96 2.V96 C Shift Assignments>> C :: 175.1430 CA :: 59.2490 CB :: 63.8520 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2700 HA :: 4.3790 HB2 :: 3.9360 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 :: 116.2860 Ave N Shift Values>> N :: 116.28(3.52) 2.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 K 0.08 I 0.06 Q 0.05 M 0.04 HN Overlap>> 2.D151 2.D151 C Shift Assignments>> C :: 176.5650 CA :: 57.4530 CB :: 29.7060 CG :: 36.3300 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 :: 8.7390 HA :: 4.2840 HB2 :: 1.9760 HB3 :: 2.1060 HG2 :: 2.2420 HG3 :: 2.3130 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 :: 121.8310 Ave N Shift Values>> N :: 120.67(3.48) 2.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.18 C 0.09 Y 0.08 F 0.08 L 0.05 HN Overlap>> 2.N83 2.N83 C Shift Assignments>> C :: 175.7430 CA :: 53.4740 CB :: 38.8940 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 :: 8.2080 HA :: 4.7450 HB2 :: 2.9090 HB3 :: 2.7140 HD21 :: 7.6630 HD22 :: 6.9690 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 :: 118.7240 ND2 :: 113.0500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.41 R 0.16 HN Overlap>> 2.D90 2.D90 C Shift Assignments>> C :: 177.2910 CA :: 58.0310 CB :: 32.2670 CG :: 24.5900 CD :: 28.8900 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 :: 8.2750 HA :: 4.1880 HB2 :: 1.8630 HB3 :: 1.8630 HG2 :: 1.4710 HG3 :: 1.4710 HD2 :: 1.6870 HD3 :: 1.6870 HE2 :: 3.0150 HE3 :: 3.0150 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 :: 121.7170 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 D 0.19 L 0.18 Y 0.16 K 0.09 C 0.08 N 0.04 I 0.02 HN Overlap>> 2.V140 2.V140 C Shift Assignments>> C :: 177.8930 CA :: 56.3080 CB :: 40.7430 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 :: 8.3560 HA :: 4.5690 HB2 :: 2.7390 HB3 :: 2.7390 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 :: 119.5460 Ave N Shift Values>> N :: 120.65(3.86) 2.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 2.E24 2.E24 C Shift Assignments>> C :: 177.2810 CA :: 65.1210 CB :: 32.0480 CG1 :: 21.4200 CG2 :: 21.9900 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 :: 7.8290 HA :: 3.8640 HB :: 2.1800 HG11 :: 1.0110 HG12 :: 1.0110 HG13 :: 1.0110 HG21 :: 1.0490 HG22 :: 1.0490 HG23 :: 1.0490 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 :: 120.0570 Ave N Shift Values>> N :: 121.14(4.54) 2.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.25 K 0.24 E 0.08 R 0.05 I 0.02 M 0.01 HN Overlap>> 2.Q46 2.Q46 C Shift Assignments>> C :: 178.2650 CA :: 58.4860 CB :: 28.5260 CG :: 34.0700 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 :: 8.2600 HA :: 4.0890 HB2 :: 2.1350 HB3 :: 2.1350 HG2 :: 2.4720 HG3 :: 2.4170 HE21 :: 7.5370 HE22 :: 6.8560 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 :: 119.9050 NE2 :: 112.0800 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 Y 0.17 C 0.15 F 0.15 D 0.11 L 0.04 E 0.03 I 0.02 M 0.01 HN Overlap>> 2.N78 2.N78 C Shift Assignments>> C :: 177.3510 CA :: 55.1460 CB :: 38.3890 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 :: 8.2690 HA :: 4.5830 HB2 :: 2.9250 HB3 :: 2.9250 HD21 :: 7.7660 HD22 :: 6.9020 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 :: 118.6940 ND2 :: 112.4000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.39 R 0.19 C Shift Assignments>> C :: 179.1490 CA :: 58.8420 CB :: 31.6670 CG :: 24.7400 CD :: 28.5500 CE :: 42.1400 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 :: 8.1080 HA :: 4.0920 HB2 :: 1.9370 HB3 :: 1.9370 HG2 :: 1.3950 HG3 :: 1.3950 HD2 :: 1.5180 HD3 :: 1.5180 HE2 :: 2.7430 HE3 :: 2.8210 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 :: 122.3240 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 HN Overlap>> 2.D90 2.D90 C Shift Assignments>> C :: 177.8140 CA :: 63.7940 CB :: 37.8370 CG1 :: 29.4700 CG2 :: 18.1800 CD1 :: 13.6300 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 :: 8.4310 HA :: 3.9970 HB :: 1.8990 HG12 :: 1.2370 HG13 :: 1.6840 HG21 :: 0.8070 HG22 :: 0.8070 HG23 :: 0.8070 HD11 :: 0.8380 HD12 :: 0.8380 HD13 :: 0.8380 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 :: 121.6750 Ave N Shift Values>> N :: 121.46(4.28) 2.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.09 L 0.04 P 0.03 A 0.03 C Shift Assignments>> C :: 176.6410 CA :: 47.5050 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1160 HA2 :: 3.9870 HA3 :: 3.8900 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.9010 Ave N Shift Values>> N :: 109.67(3.87) 2.Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.24 K 0.23 E 0.11 I 0.03 R 0.03 M 0.01 C Shift Assignments>> C :: 178.6200 CA :: 58.6810 CB :: 28.5750 CG :: 34.3500 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 :: 7.7970 HA :: 4.2010 HB2 :: 2.1430 HB3 :: 2.1430 HG2 :: 2.5870 HG3 :: 2.4530 HE21 :: 7.5800 HE22 :: 6.8650 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 :: 120.5720 NE2 :: 112.3400 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.36 C Shift Assignments>> C :: 179.0250 CA :: 58.5430 CB :: 40.4700 CG :: 27.7000 CD1 :: 23.6400 CD2 :: 25.7300 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 :: 8.0060 HA :: 4.2020 HB2 :: 2.0710 HB3 :: 1.6980 HG :: 1.2290 HD11 :: 0.8130 HD12 :: 0.8130 HD13 :: 0.8130 HD21 :: 0.5840 HD22 :: 0.5840 HD23 :: 0.5840 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 :: 123.6050 Ave N Shift Values>> N :: 121.86(3.9) 2.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 F 0.32 Y 0.21 C Shift Assignments>> C :: 178.7670 CA :: 61.1790 CB :: 37.2570 CD1 :: 130.4300 CD2 :: 130.4300 CE1 :: 131.4400 CE2 :: 131.4400 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 :: 8.4880 HA :: 4.1970 HB2 :: 3.1880 HB3 :: 3.1880 HD1 :: 7.2930 HD2 :: 7.2930 HE1 :: 7.2730 HE2 :: 7.2730 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 :: 117.3850 Ave N Shift Values>> N :: 120.45(4.18) 2.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.13 I 0.08 L 0.08 D 0.07 K 0.03 N 0.01 HN Overlap>> 2.K79 2.I85 2.K79 2.I85 C Shift Assignments>> C :: 178.8000 CA :: 58.0040 CB :: 40.2070 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 :: 8.3530 HA :: 4.5740 HB2 :: 2.9770 HB3 :: 2.7660 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 :: 121.6530 Ave N Shift Values>> N :: 120.65(3.86) 2.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.2 Y 0.17 L 0.14 C 0.09 D 0.08 I 0.03 R 0.03 C Shift Assignments>> C :: 178.6110 CA :: 57.7120 CB :: 41.3570 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 :: 7.9870 HA :: 4.5700 HB2 :: 2.8940 HB3 :: 3.0300 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 :: 123.4510 Ave N Shift Values>> N :: 120.65(3.86) 2.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.5270 CA :: 67.4280 CB :: 31.5290 CG1 :: 22.9000 CG2 :: 21.7900 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 :: 8.4970 HA :: 3.3490 HB :: 2.1780 HG11 :: 0.8800 HG12 :: 0.8800 HG13 :: 0.8800 HG21 :: 0.8260 HG22 :: 0.8260 HG23 :: 0.8260 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 :: 119.6220 Ave N Shift Values>> N :: 121.14(4.54) 2.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.21 F 0.17 E 0.11 N 0.1 I 0.05 D 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 178.6420 CA :: 56.3550 CB :: 37.8520 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 :: 8.6550 HA :: 4.4150 HB2 :: 3.0320 HB3 :: 2.7720 HD21 :: 7.7580 HD22 :: 6.8120 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 :: 117.1600 ND2 :: 112.1000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.38 R 0.14 G 0.01 C Shift Assignments>> C :: 178.0890 CA :: 59.7650 CB :: 31.9720 CG :: 25.1600 CD :: 29.0000 CE :: 42.5000 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 :: 8.2520 HA :: 4.1260 HB2 :: 2.1800 HB3 :: 2.0460 HG2 :: 1.4720 HG3 :: 1.5420 HD2 :: 1.6870 HD3 :: 1.7600 HE2 :: 3.0180 HE3 :: 3.0180 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 :: 124.4070 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.31 I 0.03 C 0.01 C Shift Assignments>> C :: 180.0520 CA :: 54.9330 CB :: 17.3300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0090 HA :: 4.3040 HB1 :: 1.4390 HB2 :: 1.4390 HB3 :: 1.4390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.0090 Ave N Shift Values>> N :: 123.23(3.54) 2.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 HN Overlap>> 2.S76 2.S76 C Shift Assignments>> C :: 178.1230 CA :: 67.0460 CB :: 31.5030 CG1 :: 21.1900 CG2 :: 23.4400 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 :: 8.3480 HA :: 3.5530 HB :: 2.2800 HG11 :: 0.9360 HG12 :: 0.9360 HG13 :: 0.9360 HG21 :: 1.0380 HG22 :: 1.0380 HG23 :: 1.0380 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 :: 116.3100 Ave N Shift Values>> N :: 121.14(4.54) 2.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.C68 2.C68 C Shift Assignments>> C :: 177.0040 CA :: 62.0500 CB :: 62.6600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3120 HA :: 4.1710 HB2 :: 4.0710 HB3 :: 4.0710 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 :: 116.9740 Ave N Shift Values>> N :: 116.28(3.52) 2.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 C 0.12 D 0.09 L 0.09 I 0.07 K 0.02 N 0.02 C Shift Assignments>> C :: 179.6090 CA :: 57.5140 CB :: 40.0850 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 :: 4.4680 HB2 :: 2.9310 HB3 :: 2.7120 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 :: 122.3860 Ave N Shift Values>> N :: 120.65(3.86) 2.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.43 R 0.02 C Shift Assignments>> C :: 179.9040 CA :: 58.0000 CB :: 41.3500 CG :: 26.8900 CD1 :: 24.2400 CD2 :: 25.5700 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 :: 8.0870 HA :: 4.0630 HB2 :: 2.0780 HB3 :: 1.3650 HG :: 1.9540 HD11 :: 0.8150 HD12 :: 0.8150 HD13 :: 0.8150 HD21 :: 0.7660 HD22 :: 0.7660 HD23 :: 0.7660 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 :: 121.5730 Ave N Shift Values>> N :: 121.86(3.9) 2.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.38 R 0.13 G 0.01 HN Overlap>> 2.L19 2.L19 C Shift Assignments>> C :: 181.1010 CA :: 59.8880 CB :: 32.0820 CG :: 25.4600 CD :: 29.7400 CE :: 42.2100 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 :: 8.5430 HA :: 4.2600 HB2 :: 1.9950 HB3 :: 1.9950 HG2 :: 1.6990 HG3 :: 1.5270 HD2 :: 1.7340 HD3 :: 1.7340 HE2 :: 3.0020 HE3 :: 3.0020 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 :: 121.9800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 Y 0.18 C 0.18 F 0.14 D 0.08 E 0.07 M 0.03 L 0.03 I 0.02 C Shift Assignments>> C :: 176.6010 CA :: 55.3410 CB :: 38.0320 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 :: 8.4120 HA :: 4.6250 HB2 :: 2.9810 HB3 :: 2.9810 HD21 :: 7.7860 HD22 :: 6.9390 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 :: 118.8870 ND2 :: 113.2100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1880 CA :: 59.0800 CB :: 64.2420 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7770 HA :: 4.5950 HB2 :: 4.0450 HB3 :: 4.0450 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 :: 114.8190 Ave N Shift Values>> N :: 116.28(3.52) 2.G103 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 :: 174.2210 CA :: 45.6900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0040 HA2 :: 4.2230 HA3 :: 3.8210 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7670 Ave N Shift Values>> N :: 109.67(3.87) 2.I104 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 :: 175.9570 CA :: 60.4870 CB :: 38.8150 CG1 :: 28.0600 CG2 :: 17.1600 CD1 :: 13.0400 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 :: 7.7390 HA :: 4.1500 HB :: 1.5970 HG12 :: 1.4040 HG13 :: 0.9050 HG21 :: 0.7080 HG22 :: 0.7080 HG23 :: 0.7080 HD11 :: 0.7490 HD12 :: 0.7490 HD13 :: 0.7490 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 :: 122.2790 Ave N Shift Values>> N :: 121.46(4.28) 2.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 172.8180 CA :: 64.2650 CB :: 68.5610 CG2 :: 21.7300 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 :: 8.4630 HA :: 4.1900 HB :: 4.3620 HG21 :: 1.1960 HG22 :: 1.1960 HG23 :: 1.1960 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 :: 127.2750 Ave N Shift Values>> N :: 115.42(4.75) 2.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.29 C Shift Assignments>> C :: 175.2230 CA :: 60.6900 CB :: 71.8520 CG2 :: 22.4300 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 :: 8.3270 HA :: 5.6350 HB :: 3.7950 HG21 :: 1.1190 HG22 :: 1.1190 HG23 :: 1.1190 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 :: 120.3890 Ave N Shift Values>> N :: 115.42(4.75) 2.R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 Q 0.21 C 0.2 K 0.14 H 0.05 R 0.04 W 0.02 E 0.02 N 0.01 C Shift Assignments>> C :: 173.6530 CA :: 53.4650 CB :: 33.9460 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 :: 8.1680 HA :: 4.7410 HB2 :: 1.7050 HB3 :: 1.5950 HE :: 8.7470 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 :: 122.1400 NE :: 84.9400 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 175.7580 CA :: 59.3080 CB :: 40.1530 CG1 :: 28.0600 CG2 :: 17.2900 CD1 :: 14.6000 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 :: 8.3630 HA :: 5.4150 HB :: 1.6130 HG12 :: 1.4910 HG13 :: 0.8430 HG21 :: 0.8480 HG22 :: 0.8480 HG23 :: 0.8480 HD11 :: 0.8790 HD12 :: 0.8790 HD13 :: 0.8790 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 :: 121.4480 Ave N Shift Values>> N :: 121.46(4.28) 2.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.18 L 0.14 R 0.01 A 0.01 C Shift Assignments>> C :: 174.6400 CA :: 53.9130 CB :: 45.3310 CG :: 27.3500 CD1 :: 24.1600 CD2 :: 27.1800 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 :: 8.8590 HA :: 4.7360 HB2 :: 1.4060 HB3 :: 1.5010 HG :: 1.4880 HD11 :: 0.8850 HD12 :: 0.8850 HD13 :: 0.8850 HD21 :: 0.8120 HD22 :: 0.8120 HD23 :: 0.8120 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 :: 128.6600 Ave N Shift Values>> N :: 121.86(3.9) 2.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.24 N 0.11 K 0.1 F 0.06 C 0.04 Y 0.04 R 0.03 C Shift Assignments>> C :: 173.8560 CA :: 53.1540 CB :: 41.6020 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 :: 8.6570 HA :: 5.3960 HB2 :: 2.9380 HB3 :: 2.6470 HD21 :: 7.6610 HD22 :: 6.5440 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 :: 119.2930 ND2 :: 111.5700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.34 L 0.15 HN Overlap>> 1.N10 1.N10 C Shift Assignments>> C :: 177.9270 CA :: 54.7510 CB :: 46.0490 CG :: 28.0500 CD1 :: 24.9000 CD2 :: 26.4200 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 :: 9.2220 HA :: 5.2050 HB2 :: 2.1810 HB3 :: 1.9140 HG :: 1.7730 HD11 :: 1.0050 HD12 :: 1.0050 HD13 :: 1.0050 HD21 :: 0.9960 HD22 :: 0.9960 HD23 :: 0.9960 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 :: 123.0490 Ave N Shift Values>> N :: 121.86(3.9) 2.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 176.6070 CA :: 60.7120 CB :: 71.1050 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 :: 9.0870 HA :: 4.9820 HB :: 4.9470 HG21 :: 1.4240 HG22 :: 1.4240 HG23 :: 1.4240 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 :: 111.7140 Ave N Shift Values>> N :: 115.42(4.75) 2.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 L 0.34 C Shift Assignments>> C :: 180.2340 CA :: 58.5840 CB :: 40.2140 CG :: 27.2200 CD1 :: 22.7100 CD2 :: 25.3700 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 :: 8.7310 HA :: 3.9770 HB2 :: 1.5460 HB3 :: 1.8990 HG :: 1.5800 HD11 :: 0.8810 HD12 :: 0.8810 HD13 :: 0.8810 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 :: 120.2090 Ave N Shift Values>> N :: 121.86(3.9) 2.E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 C 0.37 E 0.18 K 0.01 HN Overlap>> 2.A38 2.A38 C Shift Assignments>> C :: 179.7280 CA :: 60.4690 CB :: 28.9310 CG :: 37.1700 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 :: 8.8380 HA :: 4.0000 HB2 :: 2.1190 HB3 :: 1.9590 HG2 :: 2.4220 HG3 :: 2.3020 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 :: 120.7500 Ave N Shift Values>> N :: 120.67(3.48) 2.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.37 I 0.1 M 0.04 K 0.04 Q 0.03 C Shift Assignments>> C :: 179.1960 CA :: 59.1340 CB :: 30.2010 CG :: 36.3200 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 :: 7.9910 HA :: 4.2020 HB2 :: 1.9920 HB3 :: 1.9920 HG2 :: 2.2660 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 :: 121.6790 Ave N Shift Values>> N :: 120.67(3.48) 2.R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.3 K 0.24 G 0.01 R 0.01 C Shift Assignments>> C :: 179.6350 CA :: 59.3500 CB :: 27.4340 CG :: 24.0600 CD :: 42.3800 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 :: 8.3700 HA :: 3.7360 HB2 :: 1.9400 HB3 :: 1.4310 HE :: 6.5400 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 :: 119.3130 NE :: 84.6800 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.24 E 0.21 K 0.08 Q 0.05 C Shift Assignments>> C :: 179.4390 CA :: 59.9010 CB :: 28.1120 CG :: 35.7300 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 :: 8.2460 HA :: 3.8510 HB2 :: 2.0860 HB3 :: 2.1760 HG2 :: 2.3120 HG3 :: 2.3120 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 :: 122.3120 Ave N Shift Values>> N :: 120.67(3.48) 2.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.F53 2.F53 C Shift Assignments>> C :: 175.9030 CA :: 62.7670 CB :: 63.3850 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0400 HA :: 3.8440 HB2 :: 3.9340 HB3 :: 3.9340 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 :: 117.4930 Ave N Shift Values>> N :: 116.28(3.52) 2.S119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.8140 CA :: 62.0730 CB :: 62.0730 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7280 HA :: 2.9840(S) HB2 :: 3.5290 HB3 :: 3.3990 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 :: 119.2030 Ave N Shift Values>> N :: 116.28(3.52) 2.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.37 R 0.18 C Shift Assignments>> C :: 180.9640 CA :: 58.1140 CB :: 31.0300 CG :: 24.1400 CD :: 28.4000 CE :: 41.7500 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 :: 7.2730 HA :: 4.0590 HB2 :: 1.9160 HB3 :: 1.8080 HG2 :: 1.3920 HG3 :: 1.3920 HD2 :: 1.5050 HD3 :: 1.5050 HE2 :: 2.8770 HE3 :: 2.8770 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 :: 121.3150 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.13 K 0.08 Q 0.04 M 0.01 C Shift Assignments>> C :: 178.1970 CA :: 58.7760 CB :: 29.2570 CG :: 36.1900 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 :: 7.6600 HA :: 3.9890 HB2 :: 2.1280 HB3 :: 2.1280 HG2 :: 2.2620 HG3 :: 2.3550 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 :: 120.9450 Ave N Shift Values>> N :: 120.67(3.48) 2.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.23 C 0.22 E 0.13 M 0.07 R 0.01 C Shift Assignments>> C :: 175.4740 CA :: 55.2090 CB :: 29.5240 CG :: 34.3800 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 :: 7.3110 HA :: 4.4040 HB2 :: 2.1840 HB3 :: 1.4880 HG2 :: 2.2790 HG3 :: 2.0740 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 :: 114.7970 Ave N Shift Values>> N :: 120.67(3.48) 2.N123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.18 E 0.1 Y 0.09 F 0.07 M 0.06 D 0.04 L 0.01 K 0.01 HN Overlap>> 2.N139 2.N139 C Shift Assignments>> C :: 173.4350 CA :: 54.0610 CB :: 37.2600 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 :: 7.7910 HA :: 4.2640 HB2 :: 3.1180 HB3 :: 2.6180 HD21 :: 7.5150 HD22 :: 6.7870 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 :: 115.9570 ND2 :: 112.3900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.I124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.32 G 0.04 A 0.01 C Shift Assignments>> C :: 174.0390 CA :: 58.8180 CB :: 42.6090 CG1 :: 26.6500 CG2 :: 17.5550 CD1 :: 14.5560 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 :: 7.7210 HA :: 4.6750 HB :: 1.5840 HG12 :: 1.2060 HG13 :: 1.5790 HG21 :: 0.9230 HG22 :: 0.9230 HG23 :: 0.9230 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 :: 114.5800 Ave N Shift Values>> N :: 121.46(4.28) 2.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5110 CA :: 58.1360 CB :: 64.8410 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4320 HA :: 4.1460 HB2 :: 3.9070 HB3 :: 4.4090 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 :: 120.0060 Ave N Shift Values>> N :: 116.28(3.52) 2.M126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 M 0.19 I 0.01 C Shift Assignments>> C :: 178.3060 CA :: 60.6020 CB :: 33.8490 CG :: 31.8000 CE :: 14.9100 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 :: 9.5750 HA :: 3.8470 HB2 :: 1.9720 HB3 :: 2.4170 HG2 :: 2.8660 HG3 :: 2.1450 HE1 :: 1.9110 HE2 :: 1.9110 HE3 :: 1.9110 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 :: 120.5790 Ave N Shift Values>> N :: 120.09(3.57) 2.G127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.1 P 0.07 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 175.1470 CA :: 47.7120 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6870 HA2 :: 3.7510 HA3 :: 3.5670 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.3680 Ave N Shift Values>> N :: 109.67(3.87) 2.R128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 K 0.19 G 0.08 HN Overlap>> 1.A3 1.A3 C Shift Assignments>> C :: 177.8570 CA :: 60.4440 CB :: 29.1630 CG :: 31.0100 CD :: 43.1000 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 :: 7.2550 HA :: 3.6590 HB2 :: 1.7870 HB3 :: 1.5270 HG2 :: 1.2480 HG3 :: 1.5280 HD2 :: 3.2420 HD3 :: 3.2420 HE :: 7.5960 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 :: 118.6820 NE :: 85.0500 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.Y129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 176.6830 CA :: 62.2540 CB :: 39.0380 CD1 :: 131.9600 CD2 :: 131.9600 CE1 :: 118.5800 CE2 :: 118.5800 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 :: 8.6230 HA :: 4.0270 HB2 :: 2.8700 HB3 :: 2.8700 HD1 :: 6.6980 HD2 :: 6.6980 HE1 :: 6.7070 HE2 :: 6.7070 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 :: 120.4470 Ave N Shift Values>> N :: 120.52(4.2) 2.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.42 C 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 180.7090 CA :: 55.2240 CB :: 18.8340 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6930 HA :: 3.9810 HB1 :: 1.5600 HB2 :: 1.5600 HB3 :: 1.5600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.9750 Ave N Shift Values>> N :: 123.23(3.54) 2.V131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 176.7070 CA :: 67.2570 CB :: 30.8150 CG1 :: 21.8700 CG2 :: 23.3600 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 :: 7.6760 HA :: 3.3870 HB :: 2.2350 HG11 :: 0.7820 HG12 :: 0.7820 HG13 :: 0.7820 HG21 :: 0.9000 HG22 :: 0.9000 HG23 :: 0.9000 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 :: 118.8110 Ave N Shift Values>> N :: 121.14(4.54) 2.Y132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 176.5150 CA :: 61.2600 CB :: 37.0000 CD1 :: 133.0900 CD2 :: 133.0900 CE1 :: 118.0600 CE2 :: 118.0600 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 :: 7.8120 HA :: 3.9030 HB2 :: 3.3200 HB3 :: 2.8450 HD1 :: 6.5490 HD2 :: 6.5490 HE1 :: 6.7270 HE2 :: 6.7270 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 :: 121.2820 Ave N Shift Values>> N :: 120.52(4.2) 2.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 L 0.25 A 0.03 R 0.01 HN Overlap>> 2.I156 2.I156 C Shift Assignments>> C :: 180.5290 CA :: 57.7400 CB :: 41.3800 CG :: 25.7500 CD1 :: 21.5600 CD2 :: 25.8900 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 :: 8.1610 HA :: 3.4890 HB2 :: 1.7960 HB3 :: 1.3310 HG :: 1.3190 HD11 :: 0.6870 HD12 :: 0.6870 HD13 :: 0.6870 HD21 :: 0.8400 HD22 :: 0.8400 HD23 :: 0.8400 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 :: 117.6980 Ave N Shift Values>> N :: 121.86(3.9) 2.K134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.22 C Shift Assignments>> C :: 178.6800 CA :: 58.0000 CB :: 31.5780 CG :: 24.4300 CD :: 28.4200 CE :: 42.1400 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 :: 7.8830 HA :: 4.0540 HB2 :: 1.8330 HB3 :: 1.9190 HG2 :: 1.5190 HG3 :: 1.5190 HD2 :: 1.6710 HD3 :: 1.6710 HE2 :: 2.9560 HE3 :: 2.9560 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 :: 120.2040 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.3 I 0.04 C 0.02 C Shift Assignments>> C :: 179.9180 CA :: 55.2210 CB :: 17.6060 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6670 HA :: 3.8120 HB1 :: 1.4110 HB2 :: 1.4110 HB3 :: 1.4110 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.6570 Ave N Shift Values>> N :: 123.23(3.54) 2.K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.42 R 0.12 C Shift Assignments>> C :: 180.0750 CA :: 58.6400 CB :: 31.7200 CG :: 24.1300 CD :: 28.9900 CE :: 41.9300 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 :: 8.0220 HA :: 3.9900 HB2 :: 1.5550 HB3 :: 1.5550 HG2 :: 1.2030 HG3 :: 1.2030 HD2 :: 1.4470 HD3 :: 1.4470 HE2 :: 2.8850 HE3 :: 2.8050 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 :: 119.0260 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.37 I 0.11 K 0.06 Q 0.04 M 0.03 C Shift Assignments>> C :: 177.9110 CA :: 58.9750 CB :: 29.7940 CG :: 36.2200 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 :: 7.6520 HA :: 3.9950 HB2 :: 2.1920 HB3 :: 2.1920 HG2 :: 2.2510 HG3 :: 2.2510 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 :: 119.8690 Ave N Shift Values>> N :: 120.67(3.48) 2.Q138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.25 C 0.22 E 0.11 M 0.05 R 0.02 C Shift Assignments>> C :: 174.9400 CA :: 55.2150 CB :: 29.3290 CG :: 34.3100 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 :: 7.5270 HA :: 4.3320 HB2 :: 1.8600 HB3 :: 2.3580 HG2 :: 2.3880 HG3 :: 2.4680 HE21 :: 7.4630 HE22 :: 7.0120 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 :: 114.5840 NE2 :: 111.3620 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.18 E 0.1 Y 0.09 F 0.07 M 0.05 D 0.04 L 0.01 HN Overlap>> 2.N123 2.N123 C Shift Assignments>> C :: 174.2600 CA :: 54.0380 CB :: 37.3160 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 :: 7.8360 HA :: 4.4080 HB2 :: 2.7850 HB3 :: 3.0570 HD21 :: 7.5310 HD22 :: 6.8880 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 :: 115.8690 ND2 :: 112.3850 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 HN Overlap>> 2.D80 2.D80 C Shift Assignments>> C :: 175.9550 CA :: 62.6970 CB :: 32.7800 CG1 :: 20.9400 CG2 :: 20.9400 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 :: 8.2980 HA :: 4.0980 HB :: 2.1180 HG11 :: 0.9530 HG12 :: 0.9530 HG13 :: 0.9530 HG21 :: 0.9530 HG22 :: 0.9530 HG23 :: 0.9530 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 :: 119.4940 Ave N Shift Values>> N :: 121.14(4.54) 2.N141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.14 Y 0.08 D 0.08 F 0.07 E 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 174.3590 CA :: 53.4910 CB :: 37.8270 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>> HA :: 4.5740 HB2 :: 2.8430 HB3 :: 2.7110 HD21 :: 7.5710 HD22 :: 6.8730 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>> ND2 :: 112.8500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.L142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.38 C 0.18 R 0.01 C Shift Assignments>> C :: 176.4800 CA :: 54.5640 CB :: 44.8400 CG :: 26.8000 CD1 :: 25.3000 CD2 :: 25.3000 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 :: 7.5310 HA :: 4.6550 HB2 :: 1.4530 HB3 :: 1.4530 HG :: 1.5290 HD11 :: 0.7630 HD12 :: 0.7630 HD13 :: 0.7630 HD21 :: 0.7630 HD22 :: 0.7630 HD23 :: 0.7630 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 :: 125.1440 Ave N Shift Values>> N :: 121.86(3.9) 2.T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 175.6230 CA :: 60.2970 CB :: 71.8240 CG2 :: 21.9100 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 :: 8.7990 HA :: 4.7710 HB :: 4.6750 HG21 :: 1.3400 HG22 :: 1.3400 HG23 :: 1.3400 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 :: 114.6870 Ave N Shift Values>> N :: 115.42(4.75) 2.I144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 177.3870 CA :: 62.9250 CB :: 36.6960 CG1 :: 28.3500 CG2 :: 17.5200 CD1 :: 11.3200 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 :: 8.7040 HA :: 3.5000 HB :: 1.6410 HG12 :: 0.8450 HG13 :: 1.0760 HG21 :: 0.8000 HG22 :: 0.8000 HG23 :: 0.8000 HD11 :: 0.3100 HD12 :: 0.3100 HD13 :: 0.3100 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 :: 121.4860 Ave N Shift Values>> N :: 121.46(4.28) 2.D145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.22 L 0.12 C 0.1 D 0.1 K 0.08 I 0.05 N 0.01 C Shift Assignments>> C :: 178.4310 CA :: 57.5280 CB :: 40.6570 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 :: 7.9590 HA :: 4.2550 HB2 :: 2.6110 HB3 :: 2.4860 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 :: 118.2190 Ave N Shift Values>> N :: 120.65(3.86) 2.E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.32 I 0.14 M 0.03 K 0.01 C Shift Assignments>> C :: 178.6150 CA :: 58.6620 CB :: 30.2640 CG :: 37.4800 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 :: 7.6340 HA :: 4.0970 HB2 :: 2.2890 HB3 :: 1.9320 HG2 :: 2.2630 HG3 :: 2.2630 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 :: 118.4580 Ave N Shift Values>> N :: 120.67(3.48) 2.I147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 HN Overlap>> 2.H161 2.H161 C Shift Assignments>> C :: 177.4030 CA :: 62.1660 CB :: 37.2900 CG1 :: 28.9700 CG2 :: 18.9000 CD1 :: 13.2000 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 :: 7.8010 HA :: 3.8910 HB :: 2.0700 HG12 :: 1.3860 HG13 :: 1.5920 HG21 :: 0.8980 HG22 :: 0.8980 HG23 :: 0.8980 HD11 :: 0.7820 HD12 :: 0.7820 HD13 :: 0.7820 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 :: 117.5250 Ave N Shift Values>> N :: 121.46(4.28) 2.K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.26 R 0.19 G 0.02 HN Overlap>> 2.K47 2.K47 C Shift Assignments>> C :: 176.7840 CA :: 60.9300 CB :: 32.7760 CG :: 25.9700 CD :: 29.7700 CE :: 42.4900 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 :: 7.9630 HA :: 3.8220 HB2 :: 1.8790 HB3 :: 1.8790 HG2 :: 1.6560 HG3 :: 1.3930 HD2 :: 1.7330 HD3 :: 1.7330 HE2 :: 2.8820 HE3 :: 2.8820 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 :: 119.7900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.D149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.22 R 0.15 K 0.13 F 0.05 C 0.04 Y 0.03 N 0.02 G 0.01 C Shift Assignments>> C :: 176.4040 CA :: 54.1730 CB :: 42.4790 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 :: 7.5510 HA :: 4.8300 HB2 :: 2.7540 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 :: 114.3710 Ave N Shift Values>> N :: 120.65(3.86) 2.A150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.05 C 0.02 L 0.02 C Shift Assignments>> C :: 177.7600 CA :: 52.6240 CB :: 20.0060 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3380 HA :: 4.2470 HB1 :: 1.4230 HB2 :: 1.4230 HB3 :: 1.4230 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2970 Ave N Shift Values>> N :: 123.23(3.54) 2.D151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.21 K 0.15 R 0.13 F 0.06 Y 0.04 C 0.04 N 0.02 HN Overlap>> 2.E77 2.E77 C Shift Assignments>> C :: 177.4250 CA :: 54.6080 CB :: 42.3260 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 :: 8.7390 HA :: 4.5600 HB2 :: 2.7140 HB3 :: 2.7140 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 :: 121.8310 Ave N Shift Values>> N :: 120.65(3.86) 2.L152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.4 R 0.04 G 0.03 C Shift Assignments>> C :: 178.1780 CA :: 58.2090 CB :: 42.7220 CG :: 26.6800 CD1 :: 23.6800 CD2 :: 24.9700 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 :: 8.4530 HA :: 3.8850 HB2 :: 1.6460 HB3 :: 1.2810 HG :: 1.7810 HD11 :: 0.7650 HD12 :: 0.7650 HD13 :: 0.7650 HD21 :: 0.7850 HD22 :: 0.7850 HD23 :: 0.7850 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 :: 125.9200 Ave N Shift Values>> N :: 121.86(3.9) 2.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.47 R 0.01 HN Overlap>> 2.H162 2.H162 C Shift Assignments>> C :: 179.5950 CA :: 58.6350 CB :: 41.5250 CG :: 27.3800 CD1 :: 24.9900 CD2 :: 24.9900 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 :: 8.2430 HA :: 3.8850 HB2 :: 1.6650 HB3 :: 1.6650 HG :: 1.5730 HD11 :: 0.8640 HD12 :: 0.8640 HD13 :: 0.8640 HD21 :: 0.8640 HD22 :: 0.8640 HD23 :: 0.8640 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 :: 118.8870 Ave N Shift Values>> N :: 121.86(3.9) 2.E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.12 K 0.07 Q 0.03 M 0.02 HN Overlap>> 2.K35 2.K35 C Shift Assignments>> C :: 179.1310 CA :: 58.7030 CB :: 29.5720 CG :: 36.3700 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 :: 7.6170 HA :: 4.0300 HB2 :: 2.1250 HB3 :: 2.1250 HG2 :: 2.3530 HG3 :: 2.3530 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 :: 118.9670 Ave N Shift Values>> N :: 120.67(3.48) 2.L155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.39 R 0.02 C Shift Assignments>> C :: 178.4350 CA :: 58.0550 CB :: 42.1040 CG :: 26.5100 CD1 :: 24.5600 CD2 :: 24.9400 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 :: 7.9070 HA :: 3.9620 HB2 :: 1.8640 HB3 :: 1.4850 HG :: 1.6630 HD11 :: 0.7840 HD12 :: 0.7840 HD13 :: 0.7840 HD21 :: 0.8800 HD22 :: 0.8800 HD23 :: 0.8800 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 :: 119.0140 Ave N Shift Values>> N :: 121.86(3.9) 2.I156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 HN Overlap>> 2.L133 2.L133 C Shift Assignments>> C :: 177.8550 CA :: 63.3410 CB :: 36.1170 CG1 :: 28.7500 CG2 :: 17.4300 CD1 :: 11.2200 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 :: 8.1610 HA :: 3.6280 HB :: 1.9650 HG12 :: 1.3620 HG13 :: 1.4760 HG21 :: 0.7960 HG22 :: 0.7960 HG23 :: 0.7960 HD11 :: 0.6640 HD12 :: 0.6640 HD13 :: 0.6640 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 :: 117.6980 Ave N Shift Values>> N :: 121.46(4.28) 2.A157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 180.5610 CA :: 55.2070 CB :: 17.8250 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8080 HA :: 3.9980 HB1 :: 1.4400 HB2 :: 1.4400 HB3 :: 1.4400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.8440 Ave N Shift Values>> N :: 123.23(3.54) 2.K158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.38 R 0.16 C Shift Assignments>> C :: 178.9900 CA :: 59.2120 CB :: 32.6140 CG :: 25.7000 CD :: 29.6500 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 :: 7.7580 HA :: 4.0370 HB2 :: 1.9650 HB3 :: 1.8140 HG2 :: 1.6390 HG3 :: 1.3920 HD2 :: 1.6240 HD3 :: 1.5530 HE2 :: 3.1150 HE3 :: 2.8800 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 :: 117.3880 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.35 R 0.02 G 0.01 HN Overlap>> 2.E43 2.E43 C Shift Assignments>> C :: 178.2550 CA :: 56.9300 CB :: 42.3030 CG :: 26.4700 CD1 :: 23.4700 CD2 :: 24.7600 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 :: 7.8780 HA :: 4.0930 HB2 :: 1.7580 HB3 :: 1.6520 HG :: 1.7760 HD11 :: 0.7650 HD12 :: 0.7650 HD13 :: 0.7650 HD21 :: 0.7880 HD22 :: 0.7880 HD23 :: 0.7880 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 :: 118.3140 Ave N Shift Values>> N :: 121.86(3.9) 2.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.37 I 0.06 K 0.05 M 0.04 Q 0.02 C Shift Assignments>> C :: 176.6330 CA :: 56.8460 CB :: 29.7710 CG :: 36.8000 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 :: 7.9640 HA :: 4.1640 HB2 :: 1.9860 HB3 :: 1.8630 HG2 :: 2.4460 HG3 :: 2.1150 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 :: 116.0650 Ave N Shift Values>> N :: 120.67(3.48) 2.H161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.36 C 0.26 HN Overlap>> 2.I147 2.I147 C Shift Assignments>> C :: 174.8080 CA :: 56.4330 CB :: 28.5570 CD2 :: 119.7600 CE1 :: 137.4500 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 :: 7.8120 HA :: 4.4990 HB2 :: 3.2110 HB3 :: 3.2110 HD2 :: 7.0280 HE1 :: 8.1520 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 :: 117.6190 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.H162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.35 C 0.27 HN Overlap>> 2.L153 2.L153 C Shift Assignments>> C :: 174.7830 CA :: 56.2400 CB :: 29.9800 CD2 :: 119.7600 CE1 :: 137.4600 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 :: 8.2800 HA :: 4.5860 HB2 :: 3.0890 HB3 :: 3.0890 HD2 :: 7.0280 HE1 :: 8.1670 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 :: 118.8900 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.H163 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H164 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.15 Q 0.14 R 0.13 W 0.12 E 0.12 C 0.11 K 0.1 M 0.06 C Shift Assignments>> C :: 173.8600 CA :: 55.8000 CB :: 29.7850 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 :: 4.6290 HB2 :: 3.1390 HB3 :: 3.1390 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) 2.H166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 H 0.13 C 0.13 R 0.12 Q 0.12 K 0.09 M 0.04 I 0.01 C Shift Assignments>> C :: 179.0790 CA :: 57.4780 CB :: 29.8970 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 :: 8.2170 HA :: 4.4260 HB2 :: 3.2250 HB3 :: 3.0890 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 :: 125.4100 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 171 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 173 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 176 #Suspicious: 0 C Shift Results: #Consistent: 767 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1250 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 192 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y4 HE1 = 5.5330(S), Expected = 6.70, Std = 0.2300, ChiSquare = 3.8972e-07 1.Y4 HE2 = 5.5330(S), Expected = 6.71, Std = 0.2300, ChiSquare = 3.0979e-07 1.N10 C = 181.8410(S), Expected = 175.27, Std = 1.7900, ChiSquare = 2.4165e-04 2.K17 HE2 = 1.9400(S), Expected = 2.92, Std = 0.1900, ChiSquare = 2.4974e-07 2.K17 HE3 = 2.1170(S), Expected = 2.91, Std = 0.2000, ChiSquare = 7.3396e-05 2.S65 HA = 5.8930(S), Expected = 4.48, Std = 0.4000, ChiSquare = 4.1165e-04 2.S119 HA = 2.9840(S), Expected = 4.48, Std = 0.4000, ChiSquare = 1.8402e-04