Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.T1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.8950 CA :: 63.7900 CB :: 32.1000 CG :: 27.5900 CD :: 51.0800 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 :: 4.4750 HB2 :: 2.3690 HB3 :: 1.9390 HG2 :: 2.0910 HG3 :: 1.9940 HD2 :: 3.8070 HD3 :: 3.7260 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 K 0.07 M 0.06 I 0.04 Q 0.04 C Shift Assignments>> C :: 175.7700 CA :: 57.0600 CB :: 29.9200 CG :: 36.4000 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 :: 8.6290 HA :: 4.2440 HB2 :: 1.9610 HB3 :: 2.0500 HG2 :: 2.2450 HG3 :: 2.3040 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 :: 120.7100 Ave N Shift Values>> N :: 120.67(3.48) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 M 0.09 K 0.05 Q 0.03 I 0.03 C Shift Assignments>> C :: 175.7700 CA :: 56.8600 CB :: 30.3000 CG :: 36.4900 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 :: 8.3370 HA :: 4.3650 HB2 :: 2.0920 HB3 :: 1.9910 HG2 :: 2.2500 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 :: 121.6400 Ave N Shift Values>> N :: 120.67(3.48) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.7400 CA :: 62.2300 CB :: 69.9000 CG2 :: 21.7000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.2590 HA :: 4.4140 HB :: 4.2450 HG21 :: 1.2260 HG22 :: 1.2260 HG23 :: 1.2260 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.6200 Ave N Shift Values>> N :: 115.42(4.75) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 172.7170 CA :: 61.9800 CB :: 69.9000 CG2 :: 21.7000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1860 HA :: 4.3500 HB :: 4.2450 HG21 :: 1.2260 HG22 :: 1.2260 HG23 :: 1.2260 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 :: 116.8500 Ave N Shift Values>> N :: 115.42(4.75) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 174.2670 CA :: 50.6000 CB :: 18.3000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2400 HA :: 4.6500 HB1 :: 1.3980 HB2 :: 1.3980 HB3 :: 1.3980 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.4400 Ave N Shift Values>> N :: 123.23(3.54) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 175.3650 CA :: 62.8900 CB :: 32.7200 CG :: 27.4000 CD :: 50.5000 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 :: 4.5040 HB2 :: 2.2610 HB3 :: 1.7650 HG2 :: 2.0220 HG3 :: 1.8280 HD2 :: 3.8410 HD3 :: 3.6470 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 HN Overlap>> 1.I110 1.I110 C Shift Assignments>> C :: 173.5080 CA :: 61.8600 CB :: 39.2900 CG1 :: 27.1000 CG2 :: 18.1200 CD1 :: 14.3700 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 :: 8.7420 HA :: 3.9560 HB :: 2.0160 HG12 :: 1.2080 HG13 :: 1.4650 HG21 :: 0.6240 HG22 :: 0.6240 HG23 :: 0.6240 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 :: 123.8500 Ave N Shift Values>> N :: 121.46(4.28) 1.M10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 C 0.32 Q 0.07 C Shift Assignments>> C :: 176.2590 CA :: 53.4000 CB :: 32.6000 CG :: 32.6000 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 :: 8.0620 HA :: 5.5200 HB2 :: 1.7800 HB3 :: 1.8300 HG2 :: 2.3700 HG3 :: 2.4500 HE1 :: 1.9390 HE2 :: 1.9390 HE3 :: 1.9390 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 :: 124.7800 Ave N Shift Values>> N :: 120.09(3.57) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 174.8450 CA :: 62.8900 CB :: 69.1200 CG2 :: 22.7000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.3930 HA :: 4.6680 HB :: 4.0410 HG21 :: 1.1170 HG22 :: 1.1170 HG23 :: 1.1170 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.6600 Ave N Shift Values>> N :: 115.42(4.75) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 M 0.24 C 0.24 E 0.13 K 0.09 C Shift Assignments>> C :: 173.2970 CA :: 55.4900 CB :: 30.7400 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 :: 8.4620 HA :: 4.6020 HB2 :: 2.0150 HB3 :: 2.0150 HG2 :: 2.4680 HG3 :: 2.4680 HE21 :: 6.9460 HE22 :: 7.3320 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 :: 118.8100 NE2 :: 112.3530 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.28 G 0.23 F 0.04 D 0.04 C 0.04 Y 0.02 C Shift Assignments>> C :: 170.8230 CA :: 43.9500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.4170 HA2 :: 3.6490 HA3 :: 4.4380 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.7000 Ave N Shift Values>> N :: 109.67(3.87) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.0100 CA :: 59.1900 CB :: 61.9500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5930 HA :: 4.5950 HB2 :: 3.9390 HB3 :: 3.9390 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 :: 119.0800 Ave N Shift Values>> N :: 116.28(3.52) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.42 G 0.34 C 0.14 A 0.06 R 0.01 C Shift Assignments>> C :: 174.3500 CA :: 53.1200 CB :: 44.3200 CG :: 26.5900 CD1 :: 23.0500 CD2 :: 25.1200 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>> HA :: 4.5220 HB2 :: 1.4950 HB3 :: 0.8350 HG :: 0.8470 HD11 :: 0.3220 HD12 :: 0.3220 HD13 :: 0.3220 HD21 :: -0.1500 HD22 :: -0.1500 HD23 :: -0.1500 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) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> C :: 175.5220 CA :: 57.3700 CB :: 41.1400 CD1 :: 133.1800 CD2 :: 133.1800 CE1 :: 118.4500 CE2 :: 118.4500 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.2010 HA :: 4.9870 HB2 :: 2.9980 HB3 :: 2.9480 HD1 :: 6.8600 HD2 :: 6.8600 HE1 :: 6.6580 HE2 :: 6.6580 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 :: 127.9700 Ave N Shift Values>> N :: 120.52(4.2) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 C 0.23 M 0.17 K 0.08 Q 0.07 Y 0.05 N 0.03 F 0.02 I 0.01 H 0.01 C Shift Assignments>> C :: 174.4980 CA :: 55.7800 CB :: 35.7000 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 :: 9.0040 HA :: 3.9860 HB2 :: 2.5900 HB3 :: 3.3950 HD21 :: 7.3980 HD22 :: 8.1930 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.0800 ND2 :: 114.5260 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 D 0.22 F 0.13 Y 0.13 C 0.1 L 0.08 I 0.01 C Shift Assignments>> C :: 176.2490 CA :: 54.5300 CB :: 39.3100 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 :: 7.9300 HA :: 4.6850 HB2 :: 2.6810 HB3 :: 3.0310 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.3800 Ave N Shift Values>> N :: 120.65(3.86) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.6320 CA :: 59.0800 CB :: 64.5500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7730 HA :: 4.7170 HB2 :: 4.0500 HB3 :: 4.2640 HG :: 4.4590 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 :: 114.6500 Ave N Shift Values>> N :: 116.28(3.52) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.41 R 0.04 G 0.01 C Shift Assignments>> C :: 178.3280 CA :: 56.6000 CB :: 42.2500 CG :: 28.1600 CD1 :: 24.1500 CD2 :: 24.3100 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 :: 7.3240 HA :: 4.4680 HB2 :: 1.9900 HB3 :: 1.6300 HG :: 1.5980 HD11 :: 0.3320 HD12 :: 0.3320 HD13 :: 0.3320 HD21 :: -0.0010 HD22 :: -0.0010 HD23 :: -0.0010 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 :: 121.3900 Ave N Shift Values>> N :: 121.86(3.9) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.1530 CA :: 57.1400 CB :: 63.9000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9610 HA :: 5.0140 HB2 :: 4.3390 HB3 :: 4.3020 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 :: 119.1400 Ave N Shift Values>> N :: 116.28(3.52) 1.T22 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 :: 174.5970 CA :: 66.4000 CB :: 69.4000 CG2 :: 22.9000 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 :: 7.9500 HA :: 4.5950 HB :: 4.1590 HG21 :: 1.4530 HG22 :: 1.4530 HG23 :: 1.4530 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 :: 110.8500 Ave N Shift Values>> N :: 115.42(4.75) 1.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.27 K 0.12 N 0.07 R 0.06 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 171.7620 CA :: 53.4000 CB :: 42.0000 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 :: 8.3740 HA :: 4.8930 HB2 :: 1.9430 HB3 :: 2.5050 HD21 :: 6.4210 HD22 :: 7.9770 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 :: 112.9500 ND2 :: 110.2030 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.25 R 0.1 D 0.07 C 0.04 F 0.01 HN Overlap>> 1.K93 1.K93 C Shift Assignments>> C :: 173.1950 CA :: 52.8300 CB :: 44.3400 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 :: 7.5050 HA :: 4.7790 HB2 :: 2.2080 HB3 :: 2.5020 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.7100 Ave N Shift Values>> N :: 120.65(3.86) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 F 0.2 G 0.04 C Shift Assignments>> C :: 173.3820 CA :: 56.8300 CB :: 42.1400 CD1 :: 134.0000 CD2 :: 134.0000 CE1 :: 129.7700 CE2 :: 129.7700 CZ :: 130.7800 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 :: 8.2560 HA :: 5.5010 HB2 :: 3.2590 HB3 :: 3.4630 HD1 :: 7.4470 HD2 :: 7.4470 HE1 :: 7.1380 HE2 :: 7.1380 HZ :: 6.9960 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 :: 108.3800 Ave N Shift Values>> N :: 120.45(4.18) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 R 0.34 G 0.04 K 0.02 C Shift Assignments>> C :: 175.1280 CA :: 58.4110 CB :: 33.2100 CG :: 21.7650 CD :: 27.8700 CE :: 43.0000 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 :: 8.8320 HA :: 4.1370 HB2 :: 1.7360 HB3 :: 1.7360 HG2 :: 1.3080 HG3 :: 1.3080 HD2 :: 1.6580 HD3 :: 1.6580 HE2 :: 3.0610 HE3 :: 3.0610 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 :: 121.3000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 177.4330 CA :: 62.0900 CB :: 64.2500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2090 HA :: 4.0590 HB2 :: 2.9860(S) HB3 :: 3.4560 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 :: 117.7900 Ave N Shift Values>> N :: 116.28(3.52) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 177.0200 CA :: 63.3400 CB :: 38.5000 CG1 :: 27.3500 CG2 :: 17.6200 CD1 :: 14.1500 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 :: 8.5980 HA :: 4.4700 HB :: 1.8740 HG12 :: 1.5090 HG13 :: 1.2210 HG21 :: 0.9440 HG22 :: 0.9440 HG23 :: 0.9440 HD11 :: 0.8880 HD12 :: 0.8880 HD13 :: 0.8880 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 :: 114.6800 Ave N Shift Values>> N :: 121.46(4.28) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.36 R 0.08 G 0.01 C Shift Assignments>> C :: 177.2320 CA :: 56.8900 CB :: 42.2600 CG :: 27.0800 CD1 :: 25.5000 CD2 :: 25.5000 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 :: 7.4150 HA :: 4.0550 HB2 :: 1.5970 HB3 :: 1.5970 HG :: 1.3950 HD11 :: 0.8710 HD12 :: 0.8710 HD13 :: 0.8710 HD21 :: 0.8710 HD22 :: 0.8710 HD23 :: 0.8710 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.0700 Ave N Shift Values>> N :: 121.86(3.9) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.4 A 0.12 C Shift Assignments>> C :: 177.3380 CA :: 55.0100 CB :: 40.1500 CG :: 27.5900 CD1 :: 22.3300 CD2 :: 22.3300 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 :: 7.9820 HA :: 4.3740 HB2 :: 1.4170 HB3 :: 2.1960 HG :: 1.8850 HD11 :: 0.7110 HD12 :: 0.7110 HD13 :: 0.7110 HD21 :: 0.7110 HD22 :: 0.7110 HD23 :: 0.7110 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 :: 112.4000 Ave N Shift Values>> N :: 121.86(3.9) 1.G31 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 :: 171.4780 CA :: 47.5100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7340 HA2 :: 3.5560 HA3 :: 3.9050 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.1400 Ave N Shift Values>> N :: 109.67(3.87) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.9040 CA :: 55.4300 CB :: 64.2000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.4160 HA :: 4.8220 HB2 :: 3.3750 HB3 :: 3.6850 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 :: 116.4900 Ave N Shift Values>> N :: 116.28(3.52) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.17 C Shift Assignments>> C :: 172.2460 CA :: 60.2000 CB :: 68.6000 CG2 :: 21.7000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.3300 HA :: 4.2900 HB :: 4.1900 HG21 :: 1.3700 HG22 :: 1.3700 HG23 :: 1.3700 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 :: 128.1700 Ave N Shift Values>> N :: 115.42(4.75) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.8990 CA :: 66.2500 CB :: 31.8000 CG :: 28.0000 CD :: 51.0100 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 :: 4.1110 HB2 :: 2.3000 HB3 :: 1.5290 HG2 :: 2.0840 HG3 :: 1.9420 HD2 :: 3.8040 HD3 :: 3.7280 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.71 L 0.16 A 0.11 C Shift Assignments>> C :: 178.3450 CA :: 57.1500 CB :: 39.5800 CG :: 25.8800 CD1 :: 26.3800 CD2 :: 20.6200 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 :: 6.9890 HA :: 3.9530 HB2 :: 1.4260 HB3 :: 2.1630 HG :: 1.4660 HD11 :: 0.5720 HD12 :: 0.5720 HD13 :: 0.5720 HD21 :: -0.2700(S) HD22 :: -0.2700(S) HD23 :: -0.2700(S) 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 :: 114.5700 Ave N Shift Values>> N :: 121.86(3.9) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 C 0.11 L 0.11 D 0.09 I 0.06 K 0.06 N 0.01 C Shift Assignments>> C :: 178.2460 CA :: 57.6900 CB :: 40.4700 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 :: 8.1320 HA :: 4.3140 HB2 :: 2.4640 HB3 :: 3.0200 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 :: 123.4700 Ave N Shift Values>> N :: 120.65(3.86) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 175.0620 CA :: 60.9500 CB :: 37.9900 CG1 :: 25.8800 CG2 :: 17.0500 CD1 :: 13.9400 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 :: 8.0470 HA :: 4.3210 HB :: 2.1000 HG12 :: 1.1790 HG13 :: 1.2270 HG21 :: 0.8730 HG22 :: 0.8730 HG23 :: 0.8730 HD11 :: 0.7800 HD12 :: 0.7800 HD13 :: 0.7800 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 :: 111.2400 Ave N Shift Values>> N :: 121.46(4.28) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 C Shift Assignments>> C :: 173.5860 CA :: 50.8000 CB :: 16.8000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.1660 HA :: 4.4570 HB1 :: 1.5930 HB2 :: 1.5930 HB3 :: 1.5930 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.3800 Ave N Shift Values>> N :: 123.23(3.54) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.93 P 0.06 C Shift Assignments>> C :: 174.3000 CA :: 62.1600 CB :: 32.6600 CG :: 30.5100 CD :: 50.4400 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 :: 4.3550 HB2 :: 2.2580 HB3 :: 1.9410 HG2 :: 2.0760 HG3 :: 1.9920 HD2 :: 3.6450 HD3 :: 3.5400 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.2 K 0.18 D 0.11 F 0.09 Y 0.06 C 0.05 C Shift Assignments>> C :: 175.8930 CA :: 56.3300 CB :: 42.5500 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 :: 8.1960 HA :: 3.7690 HB2 :: 2.4710 HB3 :: 2.5700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.1000 Ave N Shift Values>> N :: 120.65(3.86) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 171.8140 CA :: 45.0400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4980 HA2 :: 3.0530 HA3 :: 4.0980 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.0900 Ave N Shift Values>> N :: 109.67(3.87) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.01 C Shift Assignments>> C :: 174.3990 CA :: 52.7500 CB :: 19.2000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6510 HA :: 4.0580 HB1 :: 1.1390 HB2 :: 1.1390 HB3 :: 1.1390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.3600 Ave N Shift Values>> N :: 123.23(3.54) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.13 C Shift Assignments>> C :: 173.8380 CA :: 60.3900 CB :: 33.0000 CG1 :: 18.0000 CG2 :: 20.7900 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 :: 8.1710 HA :: 4.9120 HB :: 2.0500 HG11 :: 0.5620 HG12 :: 0.5620 HG13 :: 0.5620 HG21 :: 0.6010 HG22 :: 0.6010 HG23 :: 0.6010 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 :: 121.6600 Ave N Shift Values>> N :: 121.14(4.54) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.19 G 0.02 C Shift Assignments>> C :: 173.5110 CA :: 56.5000 CB :: 42.4000 CD1 :: 131.2300 CD2 :: 131.2300 CE1 :: 130.0900 CE2 :: 130.0900 CZ :: 130.1300 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.5320 HA :: 5.1360 HB2 :: 2.5240 HB3 :: 2.5240 HD1 :: 6.8420 HD2 :: 6.8420 HE1 :: 7.1390 HE2 :: 7.1390 HZ :: 7.3020 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.7830 Ave N Shift Values>> N :: 120.45(4.18) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.42 Q 0.07 E 0.03 C Shift Assignments>> C :: 174.0650 CA :: 54.2900 CB :: 33.4000 CG :: 34.2900 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.7930 HA :: 5.2020 HB2 :: 2.1080 HB3 :: 2.1080 HG2 :: 2.2860 HG3 :: 2.2860 HE21 :: 6.9560 HE22 :: 7.3740 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.0970 NE2 :: 112.2250 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.23 C 0.2 C Shift Assignments>> C :: 176.7930 CA :: 53.6600 CB :: 45.8000 CG :: 27.8000 CD1 :: 25.3900 CD2 :: 25.3900 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 :: 9.0340 HA :: 5.3580 HB2 :: 1.7900 HB3 :: 2.0320 HG :: 1.6130 HD11 :: 0.8630 HD12 :: 0.8630 HD13 :: 0.8630 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 :: 127.8800 Ave N Shift Values>> N :: 121.86(3.9) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.2 N 0.16 F 0.08 K 0.07 Y 0.05 C 0.05 C Shift Assignments>> C :: 175.0100 CA :: 53.6000 CB :: 41.0000 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 :: 8.4980 HA :: 4.8000 HB2 :: 2.6660 HB3 :: 3.1600 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.6500 Ave N Shift Values>> N :: 120.65(3.86) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 C 0.26 G 0.1 K 0.03 C Shift Assignments>> C :: 179.6850 CA :: 52.7800 CB :: 30.3900 CG :: 26.9600 CD :: 43.0900 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 :: 7.4970 HA :: 4.3170 HB2 :: 1.8020 HB3 :: 1.8020 HG2 :: 1.3490 HG3 :: 1.3490 HD2 :: 3.0570 HD3 :: 3.0570 HE :: 7.4590 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 :: 120.6500 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.54 P 0.45 C Shift Assignments>> C :: 175.3880 CA :: 61.1300 CB :: 32.6700 CG :: 27.6600 CD :: 50.5600 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 :: 4.4960 HB2 :: 2.1330 HB3 :: 1.9020 HG2 :: 2.0050 HG3 :: 1.8040 HD2 :: 3.8500 HD3 :: 3.6380 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.22 A 0.21 G 0.18 C Shift Assignments>> C :: 173.5080 CA :: 53.3200 CB :: 43.5500 CG :: 27.1300 CD1 :: 22.2200 CD2 :: 22.2200 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 :: 8.6130 HA :: 4.3120 HB2 :: 1.8020 HB3 :: 1.8020 HG :: 1.1790 HD11 :: 0.7610 HD12 :: 0.7610 HD13 :: 0.7610 HD21 :: 0.7610 HD22 :: 0.7610 HD23 :: 0.7610 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.7000 Ave N Shift Values>> N :: 121.86(3.9) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.8580 CA :: 57.4800 CB :: 63.8100 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1670 HA :: 4.9820 HB2 :: 3.4900 HB3 :: 3.4900 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 :: 122.8400 Ave N Shift Values>> N :: 116.28(3.52) 1.I52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.88 A 0.1 C Shift Assignments>> C :: 174.5570 CA :: 57.0000 CB :: 39.2400 CG1 :: 24.7500 CG2 :: 16.5200 CD1 :: 7.9200(S) 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 :: 9.0650 HA :: 4.1400 HB :: 1.9630 HG12 :: -0.0470(S) HG13 :: -0.0470 HG21 :: 0.8780 HG22 :: 0.8780 HG23 :: 0.8780 HD11 :: -0.5800(S) HD12 :: -0.5800(S) HD13 :: -0.5800(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.6600 Ave N Shift Values>> N :: 121.46(4.28) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.26 K 0.16 F 0.08 R 0.05 Y 0.05 N 0.05 C 0.04 C Shift Assignments>> C :: 173.8700 CA :: 54.4800 CB :: 41.8000 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 :: 7.7540 HA :: 5.4380 HB2 :: 2.5720 HB3 :: 2.7170 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 :: 129.2800 Ave N Shift Values>> N :: 120.65(3.86) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.4 G 0.04 C Shift Assignments>> C :: 171.7920 CA :: 56.1100 CB :: 42.3000 CD1 :: 134.3800 CD2 :: 134.3800 CE1 :: 118.2600 CE2 :: 118.2600 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.2180 HA :: 5.3030 HB2 :: 3.2320 HB3 :: 3.1060 HD1 :: 7.1210 HD2 :: 7.1210 HE1 :: 6.6010 HE2 :: 6.6010 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.8200 Ave N Shift Values>> N :: 120.52(4.2) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4170 CA :: 56.8200 CB :: 64.1200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5020 HA :: 4.4650 HB2 :: 3.0930 HB3 :: 3.2200 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.0600 Ave N Shift Values>> N :: 116.28(3.52) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.29 G 0.04 A 0.02 C Shift Assignments>> C :: 177.4280 CA :: 55.0300 CB :: 42.9000 CG :: 27.5400 CD1 :: 23.4600 CD2 :: 23.4600 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 :: 8.5170 HA :: 4.5380 HB2 :: 1.6430 HB3 :: 1.7070 HG :: 1.4660 HD11 :: 0.9240 HD12 :: 0.9240 HD13 :: 0.9240 HD21 :: 0.9240 HD22 :: 0.9240 HD23 :: 0.9240 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 :: 126.2700 Ave N Shift Values>> N :: 121.86(3.9) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.5250 CA :: 46.0400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.8970 HA3 :: 4.0250 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 174.3510 CA :: 61.4440 CB :: 69.8830 CG2 :: 22.3600 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 :: 7.4780 HA :: 4.4140 HB :: 4.2920 HG21 :: 1.1690 HG22 :: 1.1690 HG23 :: 1.1690 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 :: 108.8700 Ave N Shift Values>> N :: 115.42(4.75) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.6680 CA :: 45.1600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2970 HA2 :: 3.6110 HA3 :: 4.3220 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1300 Ave N Shift Values>> N :: 109.67(3.87) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.27 K 0.13 R 0.1 F 0.05 N 0.04 C 0.04 Y 0.03 C Shift Assignments>> C :: 173.7720 CA :: 53.6100 CB :: 42.2600 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 :: 7.5800 HA :: 4.7810 HB2 :: 2.3300 HB3 :: 2.5980 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 :: 119.7400 Ave N Shift Values>> N :: 120.65(3.86) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 173.8750 CA :: 61.1000 CB :: 34.3000 CG1 :: 21.1400 CG2 :: 21.5000 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 :: 8.4180 HA :: 4.4770 HB :: 1.9010 HG11 :: 0.7860 HG12 :: 0.7860 HG13 :: 0.7860 HG21 :: 0.8430 HG22 :: 0.8430 HG23 :: 0.8430 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 :: 120.4600 Ave N Shift Values>> N :: 121.14(4.54) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.17 R 0.06 D 0.05 C 0.03 C Shift Assignments>> C :: 172.1490 CA :: 51.8000 CB :: 44.3000 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 :: 8.4070 HA :: 4.7720 HB2 :: 2.1560 HB3 :: 2.1140 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 :: 126.7500 Ave N Shift Values>> N :: 120.65(3.86) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.39 K 0.11 G 0.05 C Shift Assignments>> C :: 174.3010 CA :: 55.3800 CB :: 33.0000 CG :: 27.0000 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 :: 8.9610 HA :: 5.3800 HB2 :: 1.7020 HB3 :: 1.6510 HG2 :: 1.5450 HG3 :: 1.4500 HD2 :: 3.0540 HD3 :: 3.0540 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 :: 118.8900 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 L 0.28 C 0.12 K 0.01 C Shift Assignments>> C :: 173.9000 CA :: 50.4900 CB :: 22.4400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1570 HA :: 4.7350 HB1 :: 1.3050 HB2 :: 1.3050 HB3 :: 1.3050 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.3400 Ave N Shift Values>> N :: 123.23(3.54) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 173.8230 CA :: 60.9500 CB :: 33.6400 CG1 :: 22.1000 CG2 :: 20.5000 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 :: 7.8090 HA :: 4.4720 HB :: 1.6210 HG11 :: 0.5260 HG12 :: 0.5260 HG13 :: 0.5260 HG21 :: 0.7370 HG22 :: 0.7370 HG23 :: 0.7370 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 :: 117.9500 Ave N Shift Values>> N :: 121.14(4.54) 1.Y66 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.47 Y 0.3 G 0.21 C Shift Assignments>> C :: 172.9630 CA :: 57.5000 CB :: 43.1000 CD1 :: 130.8600 CD2 :: 130.8600 CE1 :: 117.0100 CE2 :: 117.0100 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 :: 8.7580 HA :: 4.9560 HB2 :: 2.8070 HB3 :: 2.8070 HD1 :: 7.3710 HD2 :: 7.3710 HE1 :: 8.0400(A) HE2 :: 8.0400(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 :: 122.5900 Ave N Shift Values>> N :: 120.52(4.2) 1.W67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.44 C Shift Assignments>> C :: 172.6830 CA :: 56.3000 CB :: 30.5700 CD1 :: 126.8900 CE3 :: 121.0300 CZ2 :: 113.7500 CZ3 :: 120.8600 CH2 :: 123.7400 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 :: 9.8090 HA :: 4.7150 HB2 :: 2.6690 HB3 :: 3.6040 HD1 :: 7.2730 HE1 :: 10.0890 HE3 :: 7.3590 HZ2 :: 7.3610 HZ3 :: 6.9430 HH2 :: 7.0450 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 :: 118.5900 NE1 :: 129.3600 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.H68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.81 Y 0.1 H 0.06 W 0.01 C Shift Assignments>> C :: 172.7440 CA :: 56.6000 CB :: 35.8000 CD2 :: 116.6300 CE1 :: 139.1900 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 :: 7.6460 HA :: 6.3470(S) HB2 :: 3.1870 HB3 :: 3.3640 HD2 :: 6.6640 HE1 :: 8.1900 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 :: 114.6500 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 G 0.18 L 0.11 C Shift Assignments>> C :: 174.3020 CA :: 52.4300 CB :: 48.1500 CG :: 27.0500 CD1 :: 25.6000 CD2 :: 25.6000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0510 HA :: 5.7610 HB2 :: 1.5590 HB3 :: 1.5020 HG :: 1.1780 HD11 :: 0.4070 HD12 :: 0.4070 HD13 :: 0.4070 HD21 :: 0.4070 HD22 :: 0.4070 HD23 :: 0.4070 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 :: 117.9500 Ave N Shift Values>> N :: 121.86(3.9) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 A 0.39 R 0.07 L 0.01 C Shift Assignments>> C :: 174.2180 CA :: 54.0300 CB :: 30.1100 CG :: 21.6800 CD :: 27.5400 CE :: 40.7500 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 :: 9.0140 HA :: 5.3550 HB2 :: 2.0360 HB3 :: 2.0360 HG2 :: 1.3350 HG3 :: 1.3350 HD2 :: 1.7930 HD3 :: 1.7930 HE2 :: 3.0590 HE3 :: 2.8600 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 :: 122.2900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 G 0.31 R 0.22 K 0.04 C Shift Assignments>> C :: 174.3180 CA :: 54.5800 CB :: 33.3800 CG :: 24.2400 CD :: 28.0500 CE :: 44.2300 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 :: 9.3770 HA :: 4.2490 HB2 :: 2.1870 HB3 :: 1.4200 HG2 :: 1.3860 HG3 :: 1.3860 HD2 :: 1.4940 HD3 :: 1.4540 HE2 :: 2.7970 HE3 :: 2.6590 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 :: 128.6900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> C :: 173.8090 CA :: 56.8600 CB :: 40.8500 CD1 :: 131.8400 CD2 :: 131.8400 CE1 :: 130.2100 CE2 :: 130.2100 CZ :: 130.2900 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.4290 HA :: 4.7080 HB2 :: 2.8550 HB3 :: 3.2100 HD1 :: 7.2940 HD2 :: 7.2940 HE1 :: 7.3560 HE2 :: 7.3560 HZ :: 7.3980 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 130.1800 Ave N Shift Values>> N :: 120.45(4.18) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.05 C 0.03 L 0.02 C Shift Assignments>> C :: 176.8950 CA :: 52.7200 CB :: 20.1000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9850 HA :: 4.0620 HB1 :: 1.4930 HB2 :: 1.4930 HB3 :: 1.4930 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.9200 Ave N Shift Values>> N :: 123.23(3.54) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.28 R 0.25 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.1390 CA :: 44.0600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4590 HA2 :: 3.7270 HA3 :: 4.1680 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.7600 Ave N Shift Values>> N :: 109.67(3.87) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.2 C 0.07 L 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.6900 CA :: 51.0400 CB :: 39.3600 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 :: 7.1490 HA :: 4.7570 HB2 :: 3.1420 HB3 :: 3.2860 HD21 :: 7.0220 HD22 :: 7.8930 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 :: 116.3800 ND2 :: 111.9170 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.34 I 0.04 C 0.03 C Shift Assignments>> C :: 178.6710 CA :: 55.5000 CB :: 18.2400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3060 HA :: 3.9950 HB1 :: 1.3990 HB2 :: 1.3990 HB3 :: 1.3990 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.8400 Ave N Shift Values>> N :: 123.23(3.54) 1.G77 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 :: 173.8950 CA :: 45.8000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0100 HA2 :: 3.8980 HA3 :: 4.0170 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.9900 Ave N Shift Values>> N :: 109.67(3.87) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 172.7100 CA :: 59.3000 CB :: 70.5000 CG2 :: 21.6000 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 :: 7.4490 HA :: 4.4300 HB :: 3.7200 HG1 :: 1.2330 HG21 :: 0.5000 HG22 :: 0.5000 HG23 :: 0.5000 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 :: 116.4200 Ave N Shift Values>> N :: 115.42(4.75) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 177.2900 CA :: 65.8600 CB :: 32.0000 CG :: 27.4900 CD :: 50.2900 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 :: 4.3590 HB2 :: 2.2150 HB3 :: 1.8780 HG2 :: 2.0080 HG3 :: 2.0080 HD2 :: 3.3950 HD3 :: 3.6050 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> C :: 175.7420 CA :: 52.1700 CB :: 18.4000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8050 HA :: 4.3570 HB1 :: 1.3470 HB2 :: 1.3470 HB3 :: 1.3470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.6000 Ave N Shift Values>> N :: 123.23(3.54) 1.G81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.2740 CA :: 44.9100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.0750 HA2 :: 2.4890(S) HA3 :: 4.0120 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.6250 Ave N Shift Values>> N :: 109.67(3.87) 1.W82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 W 0.25 C Shift Assignments>> C :: 172.9470 CA :: 58.6500 CB :: 35.2200 CD1 :: 126.8900 CE3 :: 121.2400 CZ2 :: 114.7300 CZ3 :: 121.0300 CH2 :: 124.1700 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.6700 HA :: 5.2350 HB2 :: 2.7350 HB3 :: 2.9590 HD1 :: 6.7290 HE1 :: 10.1410 HE3 :: 7.3940 HZ2 :: 7.4980 HZ3 :: 7.3310 HH2 :: 7.1710 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 :: 118.2600 NE1 :: 129.8600 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.68 C 0.16 G 0.15 C Shift Assignments>> C :: 174.2570 CA :: 57.4100 CB :: 43.5000 CD1 :: 131.4300 CD2 :: 131.4300 CE1 :: 129.8500 CE2 :: 129.8500 CZ :: 128.8300 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 :: 8.7590 HA :: 5.5520 HB2 :: 1.5780(S) HB3 :: 2.5200 HD1 :: 6.8010 HD2 :: 6.8010 HE1 :: 7.1660 HE2 :: 7.1660 HZ :: 7.3230 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 :: 115.5300 Ave N Shift Values>> N :: 120.45(4.18) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 G 0.09 K 0.08 C Shift Assignments>> C :: 174.9610 CA :: 55.5000 CB :: 32.8000 CG :: 27.3000 CD :: 43.5000 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 :: 8.6670 HA :: 4.4000 HB2 :: 1.7540 HB3 :: 1.8040 HG2 :: 1.4710 HG3 :: 1.4710 HD2 :: 3.0610 HD3 :: 3.0610 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 :: 114.9800 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.W85 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.79 W 0.2 C Shift Assignments>> C :: 174.7790 CA :: 55.5000 CB :: 30.2400 CD1 :: 127.2910 CZ2 :: 117.4400 CZ3 :: 121.0300 CH2 :: 123.3600 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 :: 6.4070 HA :: 5.7900 HB2 :: 2.8600 HB3 :: 3.3000 HD1 :: 5.7640(S) HE1 :: 11.4620 HZ2 :: 7.3980 HZ3 :: 7.3120 HH2 :: 7.1460 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 :: 118.1200 NE1 :: 133.3200 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HD1 > HA : 1.0000) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 170.2450 CA :: 47.0000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2570 HA2 :: 3.5540 HA3 :: 3.9040 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.8000 Ave N Shift Values>> N :: 109.67(3.87) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 I 0.14 V 0.01 C Shift Assignments>> C :: 173.8730 CA :: 61.0300 CB :: 34.0900 CG1 :: 24.6000 CG2 :: 17.1600 CD1 :: 14.0100 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 :: 8.4250 HA :: 4.5800 HB :: 2.1380 HG12 :: 1.1410 HG13 :: 1.2900 HG21 :: 0.8420 HG22 :: 0.8420 HG23 :: 0.8420 HD11 :: 0.7830 HD12 :: 0.7830 HD13 :: 0.7830 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 :: 120.8200 Ave N Shift Values>> N :: 121.46(4.28) 1.W88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.61 C 0.38 C Shift Assignments>> C :: 172.4410 CA :: 54.5200 CB :: 30.4000 CD1 :: 127.3800 CE3 :: 121.0800 CZ2 :: 114.1900 CZ3 :: 123.0300 CH2 :: 124.2300 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.2950 HA :: 5.3650 HB2 :: 1.3390(S) HB3 :: 2.4820 HD1 :: 6.8650 HE1 :: 10.1390 HE3 :: 7.6270 HZ2 :: 7.3960 HZ3 :: 7.3730 HH2 :: 7.1810 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 :: 129.1600 NE1 :: 128.7350 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.22 N 0.15 K 0.07 C 0.05 F 0.04 R 0.03 Y 0.02 C Shift Assignments>> C :: 174.6620 CA :: 51.6700 CB :: 41.7400 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 :: 8.1870 HA :: 4.5370 HB2 :: 2.3190 HB3 :: 2.8400 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 :: 128.5500 Ave N Shift Values>> N :: 120.65(3.86) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.18 F 0.14 Y 0.12 N 0.11 C 0.07 K 0.05 I 0.01 C Shift Assignments>> C :: 174.3490 CA :: 55.1100 CB :: 40.5000 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 :: 8.5700 HA :: 4.0240 HB2 :: 2.6530 HB3 :: 2.7820 HD21 :: 7.0600 HD22 :: 7.6190 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 :: 121.9300 ND2 :: 114.7940 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 175.7860 CA :: 60.2900 CB :: 39.0500 CD1 :: 131.7200 CD2 :: 131.7200 CE1 :: 131.6400 CE2 :: 131.6400 CZ :: 131.7200 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 :: 8.3970 HA :: 4.3950 HB2 :: 3.0820 HB3 :: 3.1360 HD1 :: 7.2400 HD2 :: 7.2400 HE1 :: 7.3540 HE2 :: 7.3540 HZ :: 7.4220 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.0000 Ave N Shift Values>> N :: 120.45(4.18) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.23 F 0.08 C 0.08 Y 0.07 L 0.07 C Shift Assignments>> C :: 173.2430 CA :: 53.4200 CB :: 39.3000 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.7770 HA :: 4.4320 HB2 :: 2.3260 HB3 :: 2.6000 HD21 :: 6.9780 HD22 :: 8.2950 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 :: 115.4200 ND2 :: 115.7950 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.39 K 0.07 G 0.03 HN Overlap>> 1.D24 1.D24 C Shift Assignments>> C :: 174.0780 CA :: 55.7000 CB :: 35.9700 CG :: 27.0200 CD :: 27.6400 CE :: 42.6700 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 :: 7.5430 HA :: 3.9900 HB2 :: 2.5880 HB3 :: 2.5880 HG2 :: 1.3970 HG3 :: 1.3970 HD2 :: 1.9650 HD3 :: 1.9650 HE2 :: 3.0610 HE3 :: 3.0610 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.7400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 171.0020 CA :: 61.0900 CB :: 72.3000 CG2 :: 21.1000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.5890 HA :: 4.6000 HB :: 3.9400 HG21 :: 0.9800 HG22 :: 0.9800 HG23 :: 0.9800 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 :: 107.5950 Ave N Shift Values>> N :: 115.42(4.75) 1.F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.22 C 0.16 G 0.07 C Shift Assignments>> C :: 173.9370 CA :: 57.0200 CB :: 43.1000 CD1 :: 131.1900 CD2 :: 131.1900 CE1 :: 129.5200 CE2 :: 129.5200 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.0420 HA :: 5.5700 HB2 :: 3.1370 HB3 :: 3.2490 HD1 :: 7.1230 HD2 :: 7.1230 HE1 :: 6.8260 HE2 :: 6.8260 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 :: 125.3700 Ave N Shift Values>> N :: 120.45(4.18) 1.T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 171.5800 CA :: 60.9200 CB :: 70.8000 CG2 :: 20.8000 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 :: 8.3070 HA :: 4.4900 HB :: 3.7600 HG21 :: 1.2500 HG22 :: 1.2500 HG23 :: 1.2500 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 :: 126.1600 Ave N Shift Values>> N :: 115.42(4.75) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.18 F 0.17 Y 0.14 K 0.08 C 0.08 N 0.06 I 0.01 C Shift Assignments>> C :: 176.7070 CA :: 55.8500 CB :: 40.7000 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 :: 8.7590 HA :: 4.3410 HB2 :: 2.5140 HB3 :: 2.8310 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 :: 129.1400 Ave N Shift Values>> N :: 120.65(3.86) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.3 G 0.21 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.0140 CA :: 43.9100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4010 HA2 :: 4.0420 HA3 :: 4.2750 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.0600 Ave N Shift Values>> N :: 109.67(3.87) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.36 C Shift Assignments>> C :: 173.4840 CA :: 61.5600 CB :: 32.6000 CG1 :: 20.5300 CG2 :: 18.2300 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 :: 7.9880 HA :: 4.0740 HB :: 2.0400 HG11 :: 0.5510 HG12 :: 0.5510 HG13 :: 0.5510 HG21 :: 0.8720 HG22 :: 0.8720 HG23 :: 0.8720 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 :: 113.1400 Ave N Shift Values>> N :: 121.14(4.54) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.06 C 0.01 C Shift Assignments>> C :: 177.1230 CA :: 51.7000 CB :: 19.3000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0410 HA :: 4.8570 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 :: 122.3200 Ave N Shift Values>> N :: 123.23(3.54) 1.Y101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 174.9630 CA :: 57.2400 CB :: 39.3800 CD1 :: 133.4000 CD2 :: 133.4000 CE1 :: 117.9300 CE2 :: 117.9300 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.8350 HA :: 5.0640 HB2 :: 3.3220 HB3 :: 3.2010 HD1 :: 7.1950 HD2 :: 7.1950 HE1 :: 6.8680 HE2 :: 6.8680 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 :: 123.9240 Ave N Shift Values>> N :: 120.52(4.2) 1.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.27 C Shift Assignments>> C :: 170.9830 CA :: 56.3000 CB :: 40.3000 CD1 :: 133.1800 CD2 :: 133.1800 CE1 :: 118.3100 CE2 :: 118.3100 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 :: 8.3320 HA :: 4.4000 HB2 :: 2.4980 HB3 :: 2.9170 HD1 :: 6.9480 HD2 :: 6.9480 HE1 :: 6.7220 HE2 :: 6.7220 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 132.8800 Ave N Shift Values>> N :: 120.52(4.2) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.1720 CA :: 57.2800 CB :: 63.9500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5210 HA :: 3.9880 HB2 :: 3.7380 HB3 :: 3.6530 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.8400 Ave N Shift Values>> N :: 116.28(3.52) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.25 K 0.13 N 0.08 F 0.07 Y 0.05 C 0.04 R 0.03 C Shift Assignments>> C :: 174.2840 CA :: 53.9000 CB :: 41.6000 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 :: 8.5540 HA :: 4.5440 HB2 :: 2.2100 HB3 :: 2.4180 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 :: 126.8100 Ave N Shift Values>> N :: 120.65(3.86) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.13 K 0.07 Q 0.03 C Shift Assignments>> C :: 175.0400 CA :: 56.9200 CB :: 28.1800 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 :: 8.5040 HA :: 4.0540 HB2 :: 1.9590 HB3 :: 1.9590 HG2 :: 2.1620 HG3 :: 2.1620 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 :: 117.2900 Ave N Shift Values>> N :: 120.67(3.48) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 M 0.1 K 0.04 Q 0.04 I 0.03 C Shift Assignments>> C :: 173.6090 CA :: 56.9600 CB :: 30.4500 CG :: 36.4100 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 :: 8.6550 HA :: 4.3620 HB2 :: 2.0900 HB3 :: 1.9800 HG2 :: 2.2980 HG3 :: 2.2470 HE21 :: 6.9960 HE22 :: 7.3470 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 :: 121.0500 NE2 :: 111.4540 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 175.5050 CA :: 62.5700 CB :: 32.3800 CG :: 27.3300 CD :: 51.0700 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4150 HB2 :: 2.3280 HB3 :: 1.8270 HG2 :: 2.0010 HG3 :: 1.9400 HD2 :: 3.8040 HD3 :: 3.7300 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.33 K 0.2 HN Overlap>> 1.Q109 1.Q109 C Shift Assignments>> C :: 175.9760 CA :: 57.5100 CB :: 30.3800 CG :: 26.5000 CD :: 42.0000 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 :: 8.5660 HA :: 4.7270 HB2 :: 1.8230 HB3 :: 1.8230 HG2 :: 1.6740 HG3 :: 1.6740 HD2 :: 3.1390 HD3 :: 3.1390 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.0600 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.25 C 0.23 M 0.18 R 0.02 E 0.01 HN Overlap>> 1.R108 1.R108 C Shift Assignments>> C :: 173.3060 CA :: 54.3500 CB :: 29.9100 CG :: 32.8700 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 :: 8.6390 HA :: 4.6900 HB2 :: 1.8170 HB3 :: 2.2580 HG2 :: 2.0150 HG3 :: 2.2920 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 :: 124.0300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> 1.I9 1.I9 C Shift Assignments>> C :: 174.6850 CA :: 62.5000 CB :: 38.3400 CG1 :: 29.6000 CG2 :: 16.6000 CD1 :: 13.4000 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 :: 8.7100 HA :: 3.3220 HB :: 1.4860 HG12 :: 1.2930 HG13 :: -0.0040 HG21 :: 0.4020 HG22 :: 0.4020 HG23 :: 0.4020 HD11 :: 0.7540 HD12 :: 0.7540 HD13 :: 0.7540 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.8500 Ave N Shift Values>> N :: 121.46(4.28) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 R 0.34 C 0.15 K 0.06 G 0.03 C Shift Assignments>> C :: 176.0560 CA :: 54.9800 CB :: 43.0780 CG :: 26.5990 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 :: 9.1080 HA :: 4.4320 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.1800 Ave N Shift Values>> N :: 121.86(3.9) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.17 C 0.05 A 0.01 C Shift Assignments>> C :: 173.0030 CA :: 51.1300 CB :: 45.2000 CG :: 27.1300 CD1 :: 24.0000 CD2 :: 24.0000 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 :: 6.9300 HA :: 4.8700 HB2 :: 1.5840 HB3 :: 1.5840 HG :: 1.4090 HD11 :: 0.7550 HD12 :: 0.7550 HD13 :: 0.7550 HD21 :: 0.7550 HD22 :: 0.7550 HD23 :: 0.7550 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 :: 117.0800 Ave N Shift Values>> N :: 121.86(3.9) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 174.8870 CA :: 62.2800 CB :: 32.3000 CG :: 27.3000 CD :: 50.1900 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 :: 4.3560 HB2 :: 2.2570 HB3 :: 1.8020 HG2 :: 1.8690 HG3 :: 1.4200 HD2 :: 3.3960 HD3 :: 3.3960 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 174.5320 CA :: 64.2000 CB :: 31.7500 CG1 :: 21.3000 CG2 :: 21.3000 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 :: 7.9830 HA :: 3.2180 HB :: 1.7400 HG11 :: 0.7890 HG12 :: 0.7890 HG13 :: 0.7890 HG21 :: 0.7890 HG22 :: 0.7890 HG23 :: 0.7890 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 :: 120.8900 Ave N Shift Values>> N :: 121.14(4.54) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.5390 CA :: 44.7900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0100 HA2 :: 3.5420 HA3 :: 4.2380 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.1800 Ave N Shift Values>> N :: 109.67(3.87) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 172.5180 CA :: 66.2000 CB :: 68.8800 CG2 :: 21.4000 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 :: 7.8040 HA :: 4.0430 HB :: 4.1100 HG21 :: 1.3230 HG22 :: 1.3230 HG23 :: 1.3230 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.2800 Ave N Shift Values>> N :: 115.42(4.75) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 175.1420 CA :: 62.8000 CB :: 32.5400 CG1 :: 22.3600 CG2 :: 22.6000 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 :: 9.0450 HA :: 4.5360 HB :: 1.8320 HG11 :: 0.9130 HG12 :: 0.9130 HG13 :: 0.9130 HG21 :: 0.9900 HG22 :: 0.9900 HG23 :: 0.9900 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 :: 130.5400 Ave N Shift Values>> N :: 121.14(4.54) 1.C118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 E 0.14 Q 0.13 R 0.13 W 0.13 C 0.12 K 0.09 M 0.05 I 0.01 C Shift Assignments>> C :: 173.7890 CA :: 56.5500 CB :: 29.9400 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.8010 HA :: 5.3050 HB2 :: 2.6810 HB3 :: 2.7270 HG :: 3.2140 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 :: 125.7300 Ave N Shift Values>> N :: 120.17(4.64) 1.T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 172.7650 CA :: 61.3000 CB :: 71.2000 CG2 :: 21.3800 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.4390 HA :: 4.6500 HB :: 3.9700 HG21 :: 1.2000 HG22 :: 1.2000 HG23 :: 1.2000 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 :: 120.0200 Ave N Shift Values>> N :: 115.42(4.75) 1.R120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.39 K 0.06 G 0.05 L 0.01 C Shift Assignments>> C :: 176.4690 CA :: 57.0100 CB :: 29.9000 CG :: 27.0000 CD :: 43.2300 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 :: 9.4400 HA :: 4.0480 HB2 :: 1.9610 HB3 :: 1.9610 HG2 :: 1.4240 HG3 :: 1.4240 HD2 :: 3.0650 HD3 :: 3.0650 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 :: 131.1500 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.9 V 0.09 C Shift Assignments>> C :: 175.1220 CA :: 61.0200 CB :: 33.8200 CG1 :: 17.7000 CG2 :: 22.0400 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 :: 8.5720 HA :: 4.5640 HB :: 2.1340 HG11 :: -0.1040(S) HG12 :: -0.1040(S) HG13 :: -0.1040(S) HG21 :: 0.8420 HG22 :: 0.8420 HG23 :: 0.8420 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 :: 117.0200 Ave N Shift Values>> N :: 121.14(4.54) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.18 N 0.13 F 0.13 Y 0.11 C 0.07 K 0.04 C Shift Assignments>> C :: 174.0400 CA :: 54.8000 CB :: 40.5200 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 :: 8.4080 HA :: 4.4540 HB2 :: 2.7710 HB3 :: 2.6420 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 :: 119.8500 Ave N Shift Values>> N :: 120.65(3.86) 1.S123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.0450 CA :: 57.4700 CB :: 64.2300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7050 HA :: 4.4690 HB2 :: 3.6240 HB3 :: 3.8070 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.0800 Ave N Shift Values>> N :: 116.28(3.52) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.1 K 0.05 Q 0.04 I 0.03 C Shift Assignments>> C :: 174.5350 CA :: 56.8900 CB :: 30.3600 CG :: 36.3800 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 :: 8.3860 HA :: 4.3090 HB2 :: 1.9630 HB3 :: 2.0880 HG2 :: 2.2480 HG3 :: 2.3010 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 :: 122.6100 Ave N Shift Values>> N :: 120.67(3.48) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.18 F 0.14 N 0.12 Y 0.12 C 0.07 K 0.04 C Shift Assignments>> C :: 178.5750 CA :: 55.0400 CB :: 40.5000 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 :: 8.0820 HA :: 4.4550 HB2 :: 2.6410 HB3 :: 2.7720 HD21 :: 6.8330 HD22 :: 7.5410 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 :: 124.3500 ND2 :: 113.1850 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 115 #Clerical: 0 #Suspicious: 9 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 124 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 124 #Suspicious: 1 C Shift Results: #Consistent: 551 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 825 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 1 N Shift Results: #Consistent: 127 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S27 HB2 = 2.9860(S), Expected = 3.88, Std = 0.2500, ChiSquare = 3.4889e-04 1.L35 HD21 = -0.2700(S), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6418e-04 1.L35 HD22 = -0.2700(S), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6418e-04 1.L35 HD23 = -0.2700(S), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6418e-04 1.I52 CD1 = 7.9200(S), Expected = 13.43, Std = 1.6700, ChiSquare = 9.6891e-04 1.I52 HG12 = -0.0470(S), Expected = 1.28, Std = 0.4000, ChiSquare = 9.0827e-04 1.I52 HD11 = -0.5800(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.3939e-05 1.I52 HD12 = -0.5800(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.3939e-05 1.I52 HD13 = -0.5800(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.3939e-05 1.Y66 HE1 = 8.0400(A), Expected = 6.70, Std = 0.2300, ChiSquare = 5.6742e-09 1.Y66 HE2 = 8.0400(S), Expected = 6.71, Std = 0.2300, ChiSquare = 7.3551e-09 1.H68 HA = 6.3470(S), Expected = 4.61, Std = 0.4300, ChiSquare = 5.3557e-05 1.G81 HA2 = 2.4890(S), Expected = 3.97, Std = 0.3700, ChiSquare = 6.2623e-05 1.F83 HB2 = 1.5780(S), Expected = 3.00, Std = 0.3700, ChiSquare = 1.2142e-04 1.W85 HD1 = 5.7640(S), Expected = 7.14, Std = 0.3600, ChiSquare = 1.3225e-04 1.W85 SRO Rule Break>> HD1 > HA : 1 1.W88 HB2 = 1.3390(S), Expected = 3.19, Std = 0.3500, ChiSquare = 1.2328e-07 1.V121 HG11 = -0.1040(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.2776e-04 1.V121 HG12 = -0.1040(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.2776e-04 1.V121 HG13 = -0.1040(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.2776e-04