Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.39 L 0.29 G 0.09 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> CA :: 43.5129 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.9855 HA3 :: 3.9855 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.P2 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 :: 176.7773 CA :: 62.9618 CB :: 32.4029 CG :: 27.0937 CD :: 49.6986 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 :: 4.5328 HB2 :: 2.3229 HB3 :: 1.9433 HG2 :: 2.0237 HG3 :: 2.0237 HD2 :: 3.5881 HD3 :: 3.5881 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.V3 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 :: 175.8869 CA :: 62.4835 CB :: 32.8644 CG1 :: 20.9128 CG2 :: 21.2366 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 :: 8.2896 HA :: 4.1020 HB :: 2.0403 HG11 :: 0.9746 HG12 :: 0.9746 HG13 :: 0.9746 HG21 :: 0.9362 HG22 :: 0.9362 HG23 :: 0.9362 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 :: 120.7335 Ave N Shift Values>> N :: 121.14(4.54) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.51 C 0.36 E 0.11 C Shift Assignments>> C :: 175.2066 CA :: 55.4759 CB :: 29.9180 CG :: 33.8764 CD :: 180.2809 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 :: 8.4503 HA :: 4.4299 HB2 :: 2.0610 HB3 :: 1.9731 HG2 :: 2.3412 HG3 :: 2.3412 HE21 :: 7.5506 HE22 :: 6.8861 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 :: 125.0689 NE2 :: 112.5973 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.6074 CA :: 60.3459 CB :: 39.0458 CG1 :: 27.3258 CG2 :: 17.5484 CD1 :: 12.7992 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 :: 8.2586 HA :: 4.3034 HB :: 1.8335 HG12 :: 1.4546 HG13 :: 1.2039 HG21 :: 0.8561 HG22 :: 0.8561 HG23 :: 0.8561 HD11 :: 0.8219 HD12 :: 0.8219 HD13 :: 0.8219 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 :: 123.1205 Ave N Shift Values>> N :: 121.46(4.28) 1.D6 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>> CA :: 51.9293 CB :: 41.7116 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 :: 8.4194 HA :: 4.9092 HB2 :: 2.7417 HB3 :: 2.5287 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 :: 126.2582 Ave N Shift Values>> N :: 120.65(3.86) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.24 C Shift Assignments>> C :: 176.5392 CA :: 63.2710 CB :: 32.1174 CG :: 26.8027 CD :: 50.7779 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 :: 4.3043 HB2 :: 2.0530 HB3 :: 1.5474 HG2 :: 1.8527 HG3 :: 1.6238 HD2 :: 3.8273 HD3 :: 3.7185 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.Y8 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 :: 175.8139 CA :: 57.9447 CB :: 37.7230 CD1 :: 133.0883 CE1 :: 118.2298 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 :: 8.2177 HA :: 4.4860 HB2 :: 3.0867 HB3 :: 2.8802 HD1 :: 7.1112 HE1 :: 6.8026 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 :: 119.2783 Ave N Shift Values>> N :: 120.52(4.2) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.25 R 0.05 G 0.02 C Shift Assignments>> C :: 176.6886 CA :: 54.9340 CB :: 42.6466 CG :: 26.6300 CD1 :: 25.3772 CD2 :: 23.1935 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 :: 7.6547 HA :: 4.2537 HB2 :: 1.5820 HB3 :: 1.5072 HG :: 1.5669 HD11 :: 0.8565 HD12 :: 0.8565 HD13 :: 0.8565 HD21 :: 0.6703 HD22 :: 0.6703 HD23 :: 0.6703 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 :: 122.8272 Ave N Shift Values>> N :: 121.86(3.9) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 M 0.23 Q 0.04 K 0.01 C Shift Assignments>> CA :: 55.9117 CB :: 31.3976 CG :: 36.1984 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 :: 8.2230 HA :: 4.2344 HB2 :: 1.9619 HB3 :: 1.8191 HG2 :: 2.1939 HG3 :: 2.1939 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 :: 120.1100 Ave N Shift Values>> N :: 120.67(3.48) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.11 F 0.1 K 0.08 Y 0.08 C 0.06 C Shift Assignments>> C :: 175.7422 CA :: 54.4054 CB :: 40.9765 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 :: 8.2582 HA :: 4.4385 HB2 :: 2.5709 HB3 :: 2.5162 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 :: 120.4295 Ave N Shift Values>> N :: 120.65(3.86) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6281 CA :: 57.7827 CB :: 64.4812 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0040 HA :: 4.2819 HB2 :: 3.0676 HB3 :: 3.0207 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 :: 116.7119 Ave N Shift Values>> N :: 116.28(3.52) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.23 G 0.13 R 0.04 C Shift Assignments>> C :: 176.4215 CA :: 54.8956 CB :: 43.7107 CG :: 26.9000 CD1 :: 25.1148 CD2 :: 22.7734 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 :: 8.2481 HA :: 4.3600 HB2 :: 1.6638 HB3 :: 1.2128 HG :: 1.6100 HD11 :: 0.7693 HD12 :: 0.7693 HD13 :: 0.7693 HD21 :: 0.5867 HD22 :: 0.5867 HD23 :: 0.5867 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 :: 124.2911 Ave N Shift Values>> N :: 121.86(3.9) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.23 W 0.11 K 0.07 R 0.07 P 0.06 E 0.05 H 0.05 M 0.04 Q 0.01 I 0.01 C Shift Assignments>> C :: 177.4176 CA :: 60.5417 CB :: 31.8594 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4175 HA :: 3.8178 HB2 :: 3.4604 HB3 :: 2.8368 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 :: 121.8018 Ave N Shift Values>> N :: 120.17(4.64) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 W 0.33 H 0.29 C Shift Assignments>> C :: 175.8449 CA :: 58.6719 CB :: 31.9100 CD2 :: 120.3116 CE1 :: 138.6110 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 :: 9.1488 HA :: 4.4971 HB2 :: 3.2500 HB3 :: 3.1000 HD2 :: 7.0955 HE1 :: 7.7661 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 :: 129.6714 ND1 :: 223.2412 NE2 :: 184.2948 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.74 I 0.24 C Shift Assignments>> C :: 177.4484 CA :: 61.9000 CB :: 35.2560 CG1 :: 28.4749 CG2 :: 18.2719 CD1 :: 9.8824 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 :: 9.3474 HA :: 4.1704 HB :: 2.9220(S) HG12 :: 1.5693 HG13 :: 1.5693 HG21 :: 0.9062 HG22 :: 0.9062 HG23 :: 0.9062 HD11 :: 0.8407 HD12 :: 0.8407 HD13 :: 0.8407 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 :: 121.7662 Ave N Shift Values>> N :: 121.46(4.28) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 K 0.12 W 0.12 V 0.12 R 0.1 M 0.08 H 0.08 E 0.07 Q 0.03 C Shift Assignments>> C :: 176.8826 CA :: 59.3092 CB :: 31.9941 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.5637 HA :: 4.7721 HB2 :: 3.2139 HB3 :: 2.8107 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.7737 Ave N Shift Values>> N :: 120.17(4.64) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2580 CA :: 60.2364 CB :: 62.7268 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6186 HA :: 4.4028 HB2 :: 4.0949 HB3 :: 3.9684 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 :: 116.3618 Ave N Shift Values>> N :: 116.28(3.52) 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 :: 172.9526 CA :: 58.8492 CB :: 65.7011 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3283 HA :: 4.8318 HB2 :: 4.0076 HB3 :: 3.9205 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 :: 113.5060 Ave N Shift Values>> N :: 116.28(3.52) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.54 C 0.41 E 0.03 C Shift Assignments>> CA :: 52.8453 CB :: 30.6058 CG :: 33.2984 CD :: 180.7422 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 :: 7.4164 HA :: 4.9319 HB2 :: 2.3700 HB3 :: 1.9250 HG2 :: 2.5566 HG3 :: 2.4724 HE21 :: 7.8156 HE22 :: 6.9869 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 :: 118.6521 NE2 :: 114.1771 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P21 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 :: 175.0864 CA :: 63.7817 CB :: 32.5356 CG :: 27.9408 CD :: 50.8677 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 :: 4.4145 HB2 :: 2.4078 HB3 :: 1.7724 HG2 :: 2.1637 HG3 :: 1.9743 HD2 :: 3.8974 HD3 :: 3.7200 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.0948 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9093 HA2 :: 4.8200 HA3 :: 2.7924 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.2167 Ave N Shift Values>> N :: 109.67(3.87) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 176.0401 CA :: 63.1146 CB :: 32.8300 CG :: 26.5128 CD :: 51.2732 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 :: 4.4565 HB2 :: 2.1645 HB3 :: 1.3191 HG2 :: 1.7356 HG3 :: 1.3497 HD2 :: 3.8628 HD3 :: 3.5740 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.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 F 0.3 C 0.24 C Shift Assignments>> C :: 174.4366 CA :: 56.0800 CB :: 39.7800 CD2 :: 130.5049 CE2 :: 129.5035 CZ :: 131.1656 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 :: 8.1479 HA :: 5.0392 HB2 :: 3.5400 HB3 :: 2.5977 HD2 :: 6.9853 HE2 :: 7.2819 HZ :: 6.9824 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 :: 116.2226 Ave N Shift Values>> N :: 120.45(4.18) 1.F25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.67 C 0.21 Y 0.1 C Shift Assignments>> C :: 175.2215 CA :: 56.8647 CB :: 41.6607 CD1 :: 131.1583 CE1 :: 129.8601 CZ :: 128.5164 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 :: 9.5224 HA :: 5.1018 HB2 :: 2.7830 HB3 :: 2.7830 HD1 :: 5.7905(S) HE1 :: 6.3744 HZ :: 5.4172(S) 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 :: 125.8605 Ave N Shift Values>> N :: 120.45(4.18) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.14 R 0.13 E 0.12 H 0.12 K 0.09 M 0.08 Q 0.07 V 0.03 I 0.01 C Shift Assignments>> C :: 174.0523 CA :: 58.2674 CB :: 31.0754 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.7227 HA :: 4.9309 HB2 :: 3.1737 HB3 :: 3.0197 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 :: 128.6630 Ave N Shift Values>> N :: 120.17(4.64) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.38 G 0.18 K 0.01 C Shift Assignments>> C :: 175.4057 CA :: 55.9712 CB :: 31.1647 CG :: 27.0981 CD :: 44.1514 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 :: 8.8656 HA :: 4.1477 HB2 :: 2.1052 HB3 :: 1.8983 HG2 :: 2.0853 HG3 :: 1.7682 HD2 :: 3.3076 HD3 :: 3.3076 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 :: 125.3543 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.D28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.34 L 0.29 G 0.07 D 0.07 F 0.06 C 0.05 K 0.04 Y 0.04 C Shift Assignments>> C :: 178.1045 CA :: 56.2881 CB :: 43.5744 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 :: 8.1976 HA :: 4.2031 HB2 :: 1.9885 HB3 :: 1.5259(S) 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 :: 124.0012 Ave N Shift Values>> N :: 120.65(3.86) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 Q 0.42 E 0.07 C Shift Assignments>> C :: 177.4713 CA :: 59.1588 CB :: 28.7308 CG :: 33.7682 CD :: 180.1019 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 :: 8.7462 HA :: 3.8943 HB2 :: 2.1089 HB3 :: 2.0576 HG2 :: 2.3792 HG3 :: 2.3792 HE21 :: 7.5150 HE22 :: 6.6967 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 :: 125.3722 NE2 :: 112.2291 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.2950 CA :: 63.3239 CB :: 31.4567 CG1 :: 20.5869 CG2 :: 21.4519 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 :: 8.6587 HA :: 4.2821 HB :: 2.4026 HG11 :: 1.2093 HG12 :: 1.2093 HG13 :: 1.2093 HG21 :: 1.0565 HG22 :: 1.0565 HG23 :: 1.0565 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 :: 113.1368 Ave N Shift Values>> N :: 121.14(4.54) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.21 W 0.11 K 0.07 R 0.07 E 0.05 H 0.05 P 0.05 M 0.04 Q 0.02 I 0.01 C Shift Assignments>> C :: 172.9939 CA :: 60.4367 CB :: 31.8558 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.0225 HA :: 4.5682 HB2 :: 3.4273 HB3 :: 3.1544 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 :: 121.0340 Ave N Shift Values>> N :: 120.17(4.64) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.32 C 0.27 C Shift Assignments>> C :: 174.8303 CA :: 59.7544 CB :: 38.2598 CD2 :: 132.3386 CE2 :: 131.2132 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 :: 7.9285 HA :: 4.1969 HB2 :: 3.7049 HB3 :: 2.6019 HD2 :: 7.3358 HE2 :: 7.4647 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 :: 129.3891 Ave N Shift Values>> N :: 120.45(4.18) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 R 0.15 K 0.13 G 0.03 C Shift Assignments>> C :: 173.0547 CA :: 54.0681 CB :: 37.7996 CG :: 24.5174 CD :: 29.2600 CE :: 42.2562 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 :: 6.4304 HA :: 4.4662 HB2 :: 1.5555 HB3 :: 1.1050 HG2 :: 1.1486 HG3 :: 1.1486 HD2 :: 1.3388 HD3 :: 1.3388 HE2 :: 2.9216 HE3 :: 2.9216 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 :: 113.6763 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 175.8880 CA :: 58.5934 CB :: 40.0200 CD1 :: 133.7124 CE1 :: 118.6852 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 :: 7.1454 HA :: 5.1655 HB2 :: 3.3457 HB3 :: 2.3675 HD1 :: 7.2054 HE1 :: 6.7181 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.6857 Ave N Shift Values>> N :: 120.52(4.2) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.08 Y 0.08 F 0.05 C Shift Assignments>> C :: 177.1275 CA :: 57.0563 CB :: 45.2173 CD2 :: 133.3363 CE2 :: 130.8285 CZ :: 128.4825 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 :: 9.6077 HA :: 6.3987 HB2 :: 3.9504 HB3 :: 3.5162 HD2 :: 7.5215 HE2 :: 7.0655 HZ :: 7.1160 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 :: 117.4970 Ave N Shift Values>> N :: 120.45(4.18) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.16 M 0.12 R 0.11 W 0.1 H 0.09 E 0.07 Q 0.06 V 0.05 C Shift Assignments>> C :: 176.1283 CA :: 58.0967 CB :: 32.3065 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.7765 HA :: 5.4989 HB2 :: 3.6148 HB3 :: 3.3458 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.6238 Ave N Shift Values>> N :: 120.17(4.64) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.37 G 0.09 K 0.02 C Shift Assignments>> C :: 178.4034 CA :: 60.9372 CB :: 30.3923 CG :: 27.3437 CD :: 43.3099 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 :: 9.3748 HA :: 3.7906 HB2 :: 2.0673 HB3 :: 2.0673 HG2 :: 1.6442 HG3 :: 1.6442 HD2 :: 3.2467 HD3 :: 3.2467 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 :: 120.5726 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.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.6097 CA :: 62.1589 CB :: 62.9341 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5489 HA :: 4.4907 HB2 :: 4.1470 HB3 :: 4.1470 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 :: 114.5619 Ave N Shift Values>> N :: 116.28(3.52) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.38 P 0.36 C 0.13 I 0.09 W 0.01 C Shift Assignments>> C :: 178.5463 CA :: 65.0242 CB :: 30.7475 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.5338 HA :: 4.4543 HB2 :: 3.5296 HB3 :: 3.2944 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 :: 126.9896 Ave N Shift Values>> N :: 120.17(4.64) 1.W40 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.43 C Shift Assignments>> C :: 179.6707 CA :: 62.7833 CB :: 27.7471 CD1 :: 127.1650 CE3 :: 118.6360 CZ2 :: 113.2232 CZ3 :: 121.0820 CH2 :: 124.3790 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 :: 9.6323 HA :: 3.3193 HB2 :: 3.4785 HB3 :: 3.3076 HD1 :: 6.3944 HE1 :: 10.3925 HE3 :: 7.2981 HZ2 :: 6.3324 HZ3 :: 6.6883 HH2 :: 6.6631 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 :: 121.0367 NE1 :: 132.0997 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HA > HB2 : 0.9942) 1.H41 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> W 0.38 C 0.34 H 0.26 C Shift Assignments>> C :: 177.2912 CA :: 59.9087 CB :: 30.5938 CD2 :: 120.0432 CE1 :: 138.7623 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 :: 8.0735 HA :: 4.3305 HB2 :: 3.3614 HB3 :: 3.3382 HD2 :: 7.2741 HE1 :: 7.9880 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.2506 ND1 :: 240.1526(A) NE2 :: 176.9073 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.41 HN Overlap>> 1.Q59 1.Q59 C Shift Assignments>> C :: 178.2558 CA :: 60.9590 CB :: 28.5933 CD1 :: 127.5691 CE3 :: 120.1712 CZ2 :: 114.8442 CZ3 :: 121.7463 CH2 :: 124.2932 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 :: 8.1997 HA :: 4.2309 HB2 :: 3.4633 HB3 :: 3.4391 HD1 :: 7.2954 HE1 :: 10.1390 HE3 :: 7.6660 HZ2 :: 7.4868 HZ3 :: 7.1012 HH2 :: 7.2274 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 :: 121.2118 NE1 :: 130.3442 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 K 0.37 R 0.16 L 0.03 G 0.01 C Shift Assignments>> C :: 176.0930 CA :: 57.1486 CB :: 29.9425 CG :: 24.8749 CD :: 42.6173 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 :: 8.1943 HA :: 3.1992 HB2 :: 1.6371 HB3 :: 1.0248 HG2 :: 0.9059 HG3 :: 0.0742(S) HD2 :: 2.9178 HD3 :: 2.7188 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 :: 118.0442 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.H44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 W 0.29 H 0.04 C Shift Assignments>> C :: 173.2471 CA :: 58.8483 CB :: 25.3136 CD2 :: 125.9995 CE1 :: 139.7806 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 :: 7.4105 HA :: 3.7815 HB2 :: 3.2985 HB3 :: 2.1441 HD1 :: 8.8447 HD2 :: 6.7752 HE1 :: 7.7347 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 :: 109.0488 ND1 :: 168.9887 NE2 :: 217.5811 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7142 CA :: 59.0418 CB :: 63.4641 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.9481 HA :: 4.3356 HB2 :: 3.7971 HB3 :: 3.7971 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 :: 112.3533 Ave N Shift Values>> N :: 116.28(3.52) 1.M46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.33 Q 0.17 E 0.02 K 0.01 C Shift Assignments>> C :: 175.4211 CA :: 55.5042 CB :: 33.3184 CG :: 32.2266 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 6.8208 HA :: 4.1880 HB2 :: 1.8088 HB3 :: 1.8088 HG2 :: 2.4252 HG3 :: 2.2917 HE1 :: 1.7209 HE2 :: 1.7209 HE3 :: 1.7209 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.3664 Ave N Shift Values>> N :: 120.09(3.57) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.1 I 0.09 Q 0.07 M 0.02 C Shift Assignments>> C :: 176.9177 CA :: 58.7463 CB :: 29.5047 CG :: 35.8726 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 :: 8.5151 HA :: 3.8070 HB2 :: 1.9953 HB3 :: 1.9214 HG2 :: 2.2756 HG3 :: 2.2756 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 :: 122.8982 Ave N Shift Values>> N :: 120.67(3.48) 1.G48 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 :: 174.6455 CA :: 45.4115 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9498 HA2 :: 4.2679 HA3 :: 3.8243 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.8979 Ave N Shift Values>> N :: 109.67(3.87) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.23 R 0.11 G 0.05 C Shift Assignments>> C :: 177.0300 CA :: 54.2909 CB :: 42.9680 CG :: 27.5119 CD1 :: 24.6732 CD2 :: 25.4162 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 :: 7.7022 HA :: 3.9276 HB2 :: 1.2180 HB3 :: 0.8858 HG :: 1.1226 HD11 :: 0.4596 HD12 :: 0.4596 HD13 :: 0.4596 HD21 :: 0.4542 HD22 :: 0.4542 HD23 :: 0.4542 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 :: 118.1638 Ave N Shift Values>> N :: 121.86(3.9) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.41 G 0.1 K 0.03 C Shift Assignments>> C :: 177.2058 CA :: 58.4060 CB :: 30.3601 CG :: 27.7084 CD :: 43.7289 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 :: 7.2986 HA :: 4.4046 HB2 :: 1.9279 HB3 :: 1.7916 HG2 :: 1.6894 HG3 :: 1.6894 HD2 :: 3.1623 HD3 :: 3.1623 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 :: 115.9144 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.H51 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.34 H 0.33 W 0.32 C Shift Assignments>> C :: 175.9589 CA :: 56.2226 CB :: 30.2281 CD2 :: 118.1093 CE1 :: 140.1783 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 :: 8.4805 HA :: 4.6919 HB2 :: 3.3389 HB3 :: 2.9810 HD2 :: 7.1398 HE1 :: 8.0896 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 :: 113.7657 ND1 :: 242.4434(A) NE2 :: 169.9914 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 H 0.38 W 0.17 C Shift Assignments>> C :: 174.8203 CA :: 55.5528 CB :: 31.3200 CD2 :: 116.5161 CE1 :: 139.8261 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 :: 6.9542 HA :: 4.4586 HB2 :: 3.3706 HB3 :: 2.6965 HD2 :: 5.3679(S) HE1 :: 7.7290 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 :: 122.5020 ND1 :: 217.4398 NE2 :: 168.4932 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.1986 CB :: 64.8326 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6678 HA :: 5.1279 HB2 :: 3.8561 HB3 :: 3.7917 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 :: 117.5861 Ave N Shift Values>> N :: 116.28(3.52) 1.P54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 176.4475 CA :: 63.0292 CB :: 31.7786 CG :: 25.8094 CD :: 50.3782 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 :: 4.2957 HB2 :: 1.1767 HB3 :: 0.1890(S) HG2 :: 1.4801 HG3 :: 0.6601(S) HD2 :: 3.5294 HD3 :: 3.1658 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.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.24 C 0.19 R 0.04 HN Overlap>> 1.R57 1.R57 C Shift Assignments>> C :: 176.1756 CA :: 54.2474 CB :: 44.2369 CG :: 27.3233 CD1 :: 25.3311 CD2 :: 24.8433 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 :: 8.8020 HA :: 4.7877 HB2 :: 1.8002 HB3 :: 1.8002 HG :: 1.7718 HD11 :: 1.0441 HD12 :: 1.0441 HD13 :: 1.0441 HD21 :: 0.9494 HD22 :: 0.9494 HD23 :: 0.9494 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 :: 123.4686 Ave N Shift Values>> N :: 121.86(3.9) 1.M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 C 0.36 C Shift Assignments>> C :: 175.9829 CA :: 54.6405 CB :: 34.1814 CG :: 32.0453 CE :: 16.9309 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 :: 8.6245 HA :: 4.9832 HB2 :: 2.0824 HB3 :: 1.9400 HG2 :: 2.4535 HG3 :: 2.4535 HE1 :: 1.8567 HE2 :: 1.8567 HE3 :: 1.8567 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 :: 122.3619 Ave N Shift Values>> N :: 120.09(3.57) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.39 G 0.07 K 0.06 HN Overlap>> 1.L55 1.L55 C Shift Assignments>> CA :: 56.5453 CB :: 31.1388 CG :: 27.3165 CD :: 43.5041 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 :: 8.9013 HA :: 4.3023 HB2 :: 1.7863 HB3 :: 1.7863 HG2 :: 1.5873 HG3 :: 1.5873 HD2 :: 3.0249 HD3 :: 3.0249 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 :: 123.4496 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.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.2 C 0.12 C Shift Assignments>> CA :: 53.2856 CB :: 38.8767 CG :: 176.8562 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 :: 4.6422 HB2 :: 2.8598 HB3 :: 2.7852 HD21 :: 7.5888 HD22 :: 6.8831 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 :: 112.6437 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.48 C 0.38 E 0.13 HN Overlap>> 1.W42 1.D63 1.W42 1.D63 C Shift Assignments>> C :: 175.8831 CA :: 56.0227 CB :: 29.7018 CG :: 33.8691 CD :: 180.4703 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 :: 8.2839 HA :: 4.3080 HB2 :: 2.1155 HB3 :: 1.9831 HG2 :: 2.3420 HG3 :: 2.3420 HE21 :: 7.5659 HE22 :: 6.8700 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 :: 121.1730 NE2 :: 112.5091 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.11 C Shift Assignments>> C :: 176.3487 CA :: 56.6588 CB :: 32.9657 CG :: 24.7615 CD :: 29.0929 CE :: 42.1536 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 :: 8.3502 HA :: 4.2671 HB2 :: 1.8144 HB3 :: 1.7579 HG2 :: 1.4124 HG3 :: 1.4124 HD2 :: 1.6618 HD3 :: 1.6618 HE2 :: 2.9697 HE3 :: 2.9697 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 :: 122.2230 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.21 C 0.12 C Shift Assignments>> C :: 175.2976 CA :: 53.3746 CB :: 38.9202 CG :: 176.9256 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 :: 8.4403 HA :: 4.6806 HB2 :: 2.8401 HB3 :: 2.7824 HD21 :: 7.6236 HD22 :: 6.9542 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 :: 119.6830 ND2 :: 112.9393 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.4 G 0.07 K 0.04 C Shift Assignments>> C :: 176.0876 CA :: 56.4894 CB :: 30.7748 CG :: 27.0005 CD :: 43.4108 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 :: 8.3327 HA :: 4.3146 HB2 :: 1.8960 HB3 :: 1.7845 HG2 :: 1.6386 HG3 :: 1.6386 HD2 :: 3.1973 HD3 :: 3.1973 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 :: 121.4054 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.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.12 F 0.1 N 0.08 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.Q59 1.Q59 C Shift Assignments>> C :: 176.1476 CA :: 54.5969 CB :: 41.2486 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 :: 8.3866 HA :: 4.6672 HB2 :: 2.7627 HB3 :: 2.6768 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 :: 121.2025 Ave N Shift Values>> N :: 120.65(3.86) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.7550 CA :: 58.2657 CB :: 64.0769 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1862 HA :: 4.5282 HB2 :: 3.9386 HB3 :: 3.8957 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 :: 116.0584 Ave N Shift Values>> N :: 116.28(3.52) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.3066 CB :: 64.8257 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0484 HA :: 4.2808 HB2 :: 3.8802 HB3 :: 3.8802 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 :: 123.3152 Ave N Shift Values>> N :: 116.28(3.52) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 56 #Clerical: 0 #Suspicious: 7 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 65 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 64 #Suspicious: 1 C Shift Results: #Consistent: 283 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 422 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 74 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 Error Summary: 1.I16 HB = 2.9220(S), Expected = 1.78, Std = 0.2900, ChiSquare = 8.2187e-05 1.F25 HD1 = 5.7905(S), Expected = 7.06, Std = 0.3100, ChiSquare = 4.2187e-05 1.F25 HZ = 5.4172(S), Expected = 7.00, Std = 0.4200, ChiSquare = 1.6418e-04 1.D28 HB3 = 1.5259(S), Expected = 2.66, Std = 0.2800, ChiSquare = 5.1140e-05 1.W40 SRO Rule Break>> HA > HB2 : 0.994219653179191 1.H41 ND1 = 240.1526(A), Expected = 195.02, Std = 18.5100, ChiSquare = 1.4757e-02 1.R43 HG3 = 0.0742(S), Expected = 1.54, Std = 0.2900, ChiSquare = 4.3156e-07 1.H51 ND1 = 242.4434(A), Expected = 195.02, Std = 18.5100, ChiSquare = 1.0406e-02 1.H52 HD2 = 5.3679(S), Expected = 7.00, Std = 0.4300, ChiSquare = 1.4730e-04 1.P54 HB3 = 0.1890(S), Expected = 2.00, Std = 0.3600, ChiSquare = 4.8906e-07 1.P54 HG3 = 0.6601(S), Expected = 1.90, Std = 0.3300, ChiSquare = 1.7178e-04