Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.37 W 0.35 C 0.27 C Shift Assignments>> C :: 174.655 CA :: 56.05 CB :: 29.665 CE1 :: 137.304 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.685 HB2 :: 3.228 HB3 :: 3.151 HE1 :: 8.305 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.4 A 0.12 C Shift Assignments>> C :: 175.966 CA :: 55.603 CB :: 32.991 CG :: 31.962 CE :: 16.901 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.36 HA :: 4.435 HB2 :: 2.065 HB3 :: 1.947 HG2 :: 2.528 HG3 :: 2.462 HE1 :: 2.071 HE2 :: 2.071 HE3 :: 2.071 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.781 Ave N Shift Values>> N :: 120.1(3.88) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.09 M 0.09 Q 0.05 I 0.05 C Shift Assignments>> C :: 176.261 CA :: 56.785 CB :: 30.079 CG :: 36.191 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.551 HA :: 4.292 HB2 :: 2.073 HB3 :: 1.951 HG2 :: 2.273 HG3 :: 2.273 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.316 Ave N Shift Values>> N :: 120.68(3.68) 1.C6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.13 R 0.13 Q 0.12 C 0.12 W 0.12 E 0.1 H 0.09 I 0.08 L 0.04 M 0.01 HN Overlap>> 1.M19 1.M19 C Shift Assignments>> C :: 174.053 CA :: 58.287 CB :: 28.2 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.334 HA :: 4.478 HB2 :: 2.924 HB3 :: 2.924 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.969 Ave N Shift Values>> N :: 119.95(4.79) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 L 0.01 C Shift Assignments>> C :: 177.127 CA :: 52.588 CB :: 19.505 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.368 HA :: 4.341 HB1 :: 1.375 HB2 :: 1.375 HB3 :: 1.375 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.345 Ave N Shift Values>> N :: 123.23(3.7) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.2 K 0.13 C 0.12 N 0.1 F 0.09 R 0.03 C Shift Assignments>> C :: 175.694 CA :: 54.392 CB :: 41.133 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.23 HA :: 4.57 HB2 :: 2.668 HB3 :: 2.546 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.495 Ave N Shift Values>> N :: 120.73(4.2) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 HN Overlap>> 1.R37 1.R37 C Shift Assignments>> CA :: 59.972 CB :: 32.82 CG1 :: 21.174 CG2 :: 20.179 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.887 HA :: 4.406 HB :: 2.073 HG11 :: 0.942 HG12 :: 0.942 HG13 :: 0.942 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.031 Ave N Shift Values>> N :: 121.02(4.96) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.452 CA :: 63.02 CB :: 32.144 CG :: 27.351 CD :: 50.909 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.388 HB2 :: 2.257 HB3 :: 1.849 HG2 :: 1.993 HG3 :: 1.993 HD2 :: 3.812 HD3 :: 3.66 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.27 R 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 176.995 CA :: 54.953 CB :: 42.394 CG :: 26.996 CD1 :: 24.96 CD2 :: 23.852 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.251 HA :: 4.335 HB2 :: 1.599 HB3 :: 1.599 HG :: 0.914 HD11 :: 0.91 HD12 :: 0.91 HD13 :: 0.91 HD21 :: 0.873 HD22 :: 0.873 HD23 :: 0.873 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.734 Ave N Shift Values>> N :: 121.98(4.07) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.25 R 0.07 G 0.04 A 0.01 C Shift Assignments>> C :: 176.916 CA :: 54.74 CB :: 42.755 CG :: 27.009 CD1 :: 24.998 CD2 :: 23.705 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.126 HA :: 4.429 HB2 :: 1.587 HB3 :: 1.587 HG :: 0.916 HD11 :: 0.915 HD12 :: 0.915 HD13 :: 0.915 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.659 Ave N Shift Values>> N :: 121.98(4.07) 1.TPO13 Overall Status: Residue type TPO not supported. 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.892 CA :: 63.392 CB :: 32.341 CG :: 27.579 CD :: 51.283 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.442 HB2 :: 2.295 HB3 :: 1.945 HG2 :: 2.062 HG3 :: 1.969 HD2 :: 3.917 HD3 :: 3.746 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.273 CA :: 58.229 CB :: 64.213 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.589 HA :: 4.494 HB2 :: 4.105 HB3 :: 3.903 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.174 Ave N Shift Values>> N :: 116.3(3.95) 1.SEP16 Overall Status: Residue type SEP not supported. 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.2 M 0.02 G 0.01 C Shift Assignments>> C :: 177.615 CA :: 57.607 CB :: 32.737 CG :: 25.043 CD :: 29.036 CE :: 42.193 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.128 HA :: 4.244 HB2 :: 1.832 HB3 :: 1.832 HG2 :: 1.475 HG3 :: 1.475 HD2 :: 1.682 HD3 :: 1.682 HE2 :: 2.983 HE3 :: 2.983 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.35 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.09 K 0.08 M 0.06 Q 0.04 C Shift Assignments>> C :: 177.567 CA :: 57.612 CB :: 29.889 CG :: 36.332 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.013 HA :: 4.223 HB2 :: 2.07 HB3 :: 2.07 HG2 :: 2.286 HG3 :: 2.286 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.914 Ave N Shift Values>> N :: 120.68(3.68) 1.M19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.44 A 0.06 I 0.02 V 0.01 HN Overlap>> 1.C6 1.C6 C Shift Assignments>> C :: 177.528 CA :: 56.811 CB :: 32.464 CE :: 17.129 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.253 HA :: 4.372 HB2 :: 2.66 HB3 :: 2.584 HG2 :: 2.267 HG3 :: 2.074 HE1 :: 2.085 HE2 :: 2.085 HE3 :: 2.085 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.006 Ave N Shift Values>> N :: 120.1(3.88) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.45 A 0.06 HN Overlap>> 1.V96 1.V96 C Shift Assignments>> C :: 177.091 CA :: 56.835 CB :: 32.493 CG :: 32.448 CE :: 17.122 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.233 HA :: 4.385 HB2 :: 2.647 HB3 :: 2.561 HG2 :: 2.109 HG3 :: 2.109 HE1 :: 2.067 HE2 :: 2.067 HE3 :: 2.067 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.448 Ave N Shift Values>> N :: 120.1(3.88) 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 :: 175.863 CA :: 59.881 CB :: 63.386 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.237 HA :: 4.332 HB2 :: 3.983 HB3 :: 3.983 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.295 Ave N Shift Values>> N :: 116.3(3.95) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.24 E 0.12 R 0.06 M 0.03 I 0.01 HN Overlap>> 1.D111 1.D111 C Shift Assignments>> C :: 177.387 CA :: 57.62 CB :: 28.733 CG :: 33.857 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.343 HA :: 4.176 HB2 :: 2.122 HB3 :: 2.122 HG2 :: 2.465 HG3 :: 2.465 HE21 :: 7.55 HE22 :: 6.854 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.467 NE2 :: 112.103 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 179.262 CA :: 54.01 CB :: 18.606 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.107 HA :: 4.226 HB1 :: 1.455 HB2 :: 1.455 HB3 :: 1.455 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.308 Ave N Shift Values>> N :: 123.23(3.7) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.32 R 0.07 G 0.01 C Shift Assignments>> C :: 178.175 CA :: 56.727 CB :: 42.045 CG :: 27.04 CD1 :: 24.968 CD2 :: 23.914 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.005 HA :: 4.15 HB2 :: 1.704 HB3 :: 1.574 HG :: 0.924 HD11 :: 0.91 HD12 :: 0.91 HD13 :: 0.91 HD21 :: 0.877 HD22 :: 0.877 HD23 :: 0.877 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.041 Ave N Shift Values>> N :: 121.98(4.07) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.22 M 0.02 C Shift Assignments>> C :: 178.231 CA :: 58.542 CB :: 32.546 CG :: 25.4 CD :: 29.443 CE :: 42.145 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.012 HA :: 4.109 HB2 :: 1.896 HB3 :: 1.896 HG2 :: 1.58 HG3 :: 1.462 HD2 :: 1.709 HD3 :: 1.709 HE2 :: 3.003 HE3 :: 3.003 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.442 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 179.409 CA :: 54.034 CB :: 18.62 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.052 HA :: 4.29 HB1 :: 1.414 HB2 :: 1.414 HB3 :: 1.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.532 Ave N Shift Values>> N :: 123.23(3.7) 1.T27 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 :: 176.233 CA :: 64.645 CB :: 69.313 CG2 :: 21.9 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.942 HA :: 4.131 HB :: 4.08 HG21 :: 0.944 HG22 :: 0.944 HG23 :: 0.944 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.833 Ave N Shift Values>> N :: 115.7(5.05) 1.F28 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 :: 178.346 CA :: 58.451 CB :: 38.541 CD1 :: 130.978 CD2 :: 130.978 CE1 :: 130.754 CE2 :: 130.754 CZ :: 129.947 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.306 HA :: 4.947 HB2 :: 3.271 HB3 :: 2.994 HD1 :: 7.099 HD2 :: 7.099 HE1 :: 7.145 HE2 :: 7.145 HZ :: 7.268 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.136 Ave N Shift Values>> N :: 120.69(4.18) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.742 CA :: 61.662 CB :: 63.035 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.172 HA :: 4.414 HB2 :: 4.139 HB3 :: 4.139 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.279 Ave N Shift Values>> N :: 116.3(3.95) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 176.014 CA :: 46.779 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.105 HA2 :: 4.175 HA3 :: 4.412 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.672 Ave N Shift Values>> N :: 109.91(4.29) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 C 0.48 C Shift Assignments>> C :: 176.199 CA :: 59.246 CB :: 37.653 CD1 :: 132.629 CD2 :: 132.629 CE1 :: 130.306 CE2 :: 130.306 CZ :: 129.26 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.817 HA :: 3.437 HB2 :: 2.845 HB3 :: 1.801 HD1 :: 6.541 HD2 :: 6.541 HE1 :: 7.085 HE2 :: 7.085 HZ :: 6.913 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.382 Ave N Shift Values>> N :: 120.69(4.18) 1.T32 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 :: 176.274 CA :: 65.856 CB :: 68.437 CG2 :: 22.237 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.588 HA :: 4.056 HB :: 4.158 HG21 :: 1.252 HG22 :: 1.252 HG23 :: 1.252 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.232 Ave N Shift Values>> N :: 115.7(5.05) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.2 M 0.02 G 0.01 HN Overlap>> 1.K109 1.K109 C Shift Assignments>> C :: 178.895 CA :: 59.071 CB :: 32.162 CG :: 25.071 CD :: 29.164 CE :: 42.112 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.384 HA :: 4.038 HB2 :: 1.916 HB3 :: 1.916 HG2 :: 1.518 HG3 :: 1.518 HD2 :: 1.741 HD3 :: 1.741 HE2 :: 3.042 HE3 :: 3.042 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.404 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.22 E 0.2 K 0.19 M 0.07 I 0.02 R 0.02 C Shift Assignments>> C :: 178.04 CA :: 57.749 CB :: 29.583 CG :: 34.502 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.935 HA :: 4.424 HB2 :: 1.668 HB3 :: 1.668 HG2 :: 2.284 HG3 :: 2.284 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.157 Ave N Shift Values>> N :: 120.68(3.68) 1.Q35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.3 K 0.19 E 0.19 Q 0.18 I 0.07 R 0.03 M 0.01 C Shift Assignments>> C :: 178.559 CA :: 59.148 CB :: 28.624 CG :: 34.643 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.232 HA :: 3.316 HB2 :: 1.808 HB3 :: 1.533 HG2 :: 1.539 HG3 :: 1.361(S) HE21 :: 6.937 HE22 :: 6.379 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.321 NE2 :: 110.927 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.24 E 0.09 R 0.08 M 0.02 I 0.01 C Shift Assignments>> C :: 178.342 CA :: 58.114 CB :: 28.32 CG :: 33.708 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.344 HA :: 3.961 HB2 :: 2.056 HB3 :: 2.056 HG2 :: 2.447 HG3 :: 2.314 HE21 :: 7.354 HE22 :: 6.736 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.092 NE2 :: 111.455 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.37 K 0.17 G 0.07 HN Overlap>> 1.V9 1.V9 C Shift Assignments>> C :: 178.21 CA :: 59.551 CB :: 31.541 CG :: 28.236 CD :: 43.28 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.887 HA :: 3.965 HB2 :: 1.896 HB3 :: 1.896 HG2 :: 1.616 HG3 :: 1.437 HD2 :: 3.372 HD3 :: 3.023 HE :: 8.111 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.934 NE :: 83.188 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.22 R 0.12 A 0.11 G 0.08 C Shift Assignments>> C :: 177.509 CA :: 54.3 CB :: 43.306 CG :: 27.247 CD1 :: 25.855 CD2 :: 22.037 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.005 HA :: 4.371 HB2 :: 1.531 HB3 :: 1.531 HG :: 1.531 HD11 :: 0.837 HD12 :: 0.837 HD13 :: 0.837 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.447 Ave N Shift Values>> N :: 121.98(4.07) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 C Shift Assignments>> C :: 174.942 CA :: 46.859 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.527 HA2 :: 3.825 HA3 :: 3.825 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.578 Ave N Shift Values>> N :: 109.91(4.29) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> CA :: 59.272 CB :: 39.706 CG2 :: 16.156 CD1 :: 13.742 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.806 HA :: 3.479 HB :: 1.216 HG12 :: 1.383 HG13 :: 0.719 HG21 :: 0.303 HG22 :: 0.303 HG23 :: 0.303 HD11 :: 0.626 HD12 :: 0.626 HD13 :: 0.626 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.55 Ave N Shift Values>> N :: 121.6(4.72) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.476 CA :: 62.721 CB :: 32.896 CG :: 27.101 CD :: 50.366 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.28 HB2 :: 2.54 HB3 :: 1.815 HG2 :: 2.002 HG3 :: 2.002 HD2 :: 3.189 HD3 :: 3.189 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.17 M 0.01 HN Overlap>> 1.E62 1.E62 C Shift Assignments>> C :: 175.962 CA :: 58.778 CB :: 32.72 CG :: 24.986 CD :: 29.028 CE :: 42.062 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.395 HA :: 3.887 HB2 :: 1.734 HB3 :: 1.734 HE2 :: 2.973 HE3 :: 2.973 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.331 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.26 D 0.21 C 0.2 L 0.13 N 0.08 R 0.04 K 0.02 F 0.01 C Shift Assignments>> CA :: 49.569 CB :: 42.462 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.474 HA :: 4.691 HB2 :: 2.739 HB3 :: 2.428 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.763 Ave N Shift Values>> N :: 120.73(4.2) 1.P44 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 177.394 CA :: 61.84 CB :: 30.035 CG :: 27.433 CD :: 50.248 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 1.19(A) HB2 :: 0.395(S) HB3 :: -0.304(A) HG2 :: 1.059 HG3 :: 0.762 HD2 :: 3.435 HD3 :: 3.435 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.4 G 0.07 K 0.07 L 0.02 C Shift Assignments>> C :: 178.74 CA :: 58.64 CB :: 28.708 CG :: 28.666 CD :: 43.144 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.941 HA :: 3.431 HB2 :: 1.757 HB3 :: 1.522 HG2 :: 1.587 HG3 :: 1.511 HD2 :: 3.162 HD3 :: 3.071 HE :: 7.844 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.087 NE :: 85.505 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.34 K 0.13 Q 0.05 M 0.04 I 0.03 C Shift Assignments>> C :: 179.589 CA :: 54.854 CB :: 29.071 CG :: 36.284 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.117 HA :: 4.433 HB2 :: 2.482 HB3 :: 2.038 HG2 :: 2.298 HG3 :: 2.298 HE21 :: 7.596 HE22 :: 6.804 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.952 NE2 :: 112.584 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 W 0.21 H 0.01 HN Overlap>> 1.I106 1.I106 C Shift Assignments>> C :: 179.873 CA :: 55.475 CB :: 31.037 CD1 :: 122.846 CE3 :: 119.992 CZ2 :: 112.614 CZ3 :: 122.238 CH2 :: 125.477 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.607 HA :: 5.791 HB2 :: 3.706 HB3 :: 3.428 HD1 :: 6.349 HE1 :: 9.915 HE3 :: 7.252 HZ2 :: 6.985 HZ3 :: 6.127 HH2 :: 5.783 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.756 NE1 :: 127.806 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T48 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 175.302 CA :: 60.615 CB :: 71.69 CG2 :: 21.534 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 11.122(A) HA :: 4.772 HB :: 4.76 HG21 :: 1.434 HG22 :: 1.434 HG23 :: 1.434 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.743 Ave N Shift Values>> N :: 115.7(5.05) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.22 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.476 CA :: 59.665 CB :: 29.366 CG :: 36.259 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.446 HA :: 4.415 HB2 :: 2.013 HB3 :: 2.013 HG2 :: 2.229 HG3 :: 2.229 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.686 Ave N Shift Values>> N :: 120.68(3.68) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 174.998 CA :: 66.477 CB :: 68.371 CG2 :: 22.035 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.759 HA :: 3.891 HB :: 3.725 HG21 :: 1.134 HG22 :: 1.134 HG23 :: 1.134 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.616 Ave N Shift Values>> N :: 115.7(5.05) 1.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 H 0.3 W 0.24 C Shift Assignments>> C :: 177.431 CA :: 58.89 CB :: 31.142 CD2 :: 116.138 CE1 :: 138.21 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.045 HA :: 4.25 HB2 :: 3.482 HB3 :: 2.244 HD2 :: 7.179 HE1 :: 7.913 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 123.042 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.762 CA :: 67.27 CB :: 32.83 CG1 :: 23.682 CG2 :: 23.251 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.281 HA :: 4.075 HB :: 2.683 HG11 :: 1.596 HG12 :: 1.596 HG13 :: 1.596 HG21 :: 1.682 HG22 :: 1.682 HG23 :: 1.682 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.419 Ave N Shift Values>> N :: 121.02(4.96) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.1 K 0.04 L 0.01 C Shift Assignments>> C :: 177.921 CA :: 60.126 CB :: 29.441 CG :: 27.43 CD :: 43.348 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.839 HA :: 3.944 HB2 :: 2.084 HB3 :: 2.084 HG2 :: 1.701 HG3 :: 1.522 HD2 :: 3.151 HD3 :: 3.151 HE :: 6.966 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.347 NE :: 84.558 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 C 0.2 K 0.13 L 0.13 D 0.1 I 0.07 R 0.02 N 0.01 C Shift Assignments>> C :: 179.489 CA :: 57.69 CB :: 40.537 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.457 HA :: 4.419 HB2 :: 2.89 HB3 :: 2.508 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.31 Ave N Shift Values>> N :: 120.73(4.2) 1.W55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.68 C 0.3 C Shift Assignments>> C :: 176.46 CA :: 61.572 CB :: 27.954 CD1 :: 126.285 CE3 :: 121.61 CZ2 :: 114.487 CZ3 :: 120.289 CH2 :: 123.598 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.487 HA :: 4.523 HB2 :: 3.751 HB3 :: 2.75 HD1 :: 6.046 HE1 :: 11.692 HE3 :: 8.064 HZ2 :: 7.784 HZ3 :: 7.083 HH2 :: 7.113 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 124.4 NE1 :: 135.302 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.273 CA :: 66.853 CB :: 31.096 CG1 :: 22.143 CG2 :: 23.125 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.678 HA :: 2.655 HB :: 1.848 HG11 :: 0.356 HG12 :: 0.356 HG13 :: 0.356 HG21 :: 0.356 HG22 :: 0.356 HG23 :: 0.356 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.57 Ave N Shift Values>> N :: 121.02(4.96) 1.M57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.36 I 0.09 V 0.03 HN Overlap>> 1.V60 1.V60 C Shift Assignments>> C :: 178.554 CA :: 59.265 CB :: 32.445 CE :: 16.832 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.836 HA :: 4.054 HB2 :: 2.563 HB3 :: 2.26 HG2 :: 2.075 HG3 :: 2.075 HE1 :: 1.821 HE2 :: 1.821 HE3 :: 1.821 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.626 Ave N Shift Values>> N :: 120.1(3.88) 1.W58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.61 C 0.37 C Shift Assignments>> C :: 177.786 CA :: 62.373 CB :: 27.423 CD1 :: 127.747 CE3 :: 121.64 CZ2 :: 114.539 CH2 :: 123.826 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.155 HA :: 4.127 HB2 :: 4.03 HB3 :: 3.496 HD1 :: 7.344 HE1 :: 10.239 HE3 :: 7.65 HZ2 :: 7.354 HH2 :: 7.199 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.567 NE1 :: 130.407 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 179.576 CA :: 54.942 CB :: 17.957 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.49 HA :: 3.013 HB1 :: 1.174 HB2 :: 1.174 HB3 :: 1.174 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.468 Ave N Shift Values>> N :: 123.23(3.7) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 HN Overlap>> 1.M57 1.M57 C Shift Assignments>> C :: 178.625 CA :: 66.519 CB :: 31.712 CG1 :: 23.539 CG2 :: 20.786 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.817 HA :: 3.364 HB :: 2.315 HG11 :: 1.014 HG12 :: 1.014 HG13 :: 1.014 HG21 :: 1.065 HG22 :: 1.065 HG23 :: 1.065 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.695 Ave N Shift Values>> N :: 121.02(4.96) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 F 0.22 D 0.18 N 0.16 L 0.07 I 0.04 E 0.03 C Shift Assignments>> C :: 177.261 CA :: 55.829 CB :: 39.031 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.488 HA :: 4.424 HB2 :: 2.71 HB3 :: 2.71 HD21 :: 7.692 HD22 :: 6.807 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.941 ND2 :: 114.083 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E62 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.23 E 0.11 R 0.06 M 0.02 I 0.02 HN Overlap>> 1.K42 1.F88 1.K42 1.F88 C Shift Assignments>> C :: 178.255 CA :: 58.492 CB :: 28.557 CG :: 33.894 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.426 HA :: 3.539 HB2 :: 0.524(S) HB3 :: 0.163(S) HG2 :: 1.436(S) HG3 :: 0.952(A) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.355 Ave N Shift Values>> N :: 120.68(3.68) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.44 C Shift Assignments>> C :: 174.466 CA :: 56.578 CB :: 38.464 CD1 :: 131.359 CD2 :: 131.359 CE1 :: 129.955 CE2 :: 129.955 CZ :: 129.927 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.773 HA :: 4.648 HB2 :: 3.419 HB3 :: 2.527 HD1 :: 7.154 HD2 :: 7.154 HE1 :: 6.961 HE2 :: 6.961 HZ :: 7.294 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.425 Ave N Shift Values>> N :: 120.69(4.18) 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 :: 177.07 CA :: 58.4 CB :: 61.054 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.38 HA :: 4.108 HB2 :: 3.994 HB3 :: 3.994 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.927 Ave N Shift Values>> N :: 116.3(3.95) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.23 A 0.08 R 0.01 HN Overlap>> 1.C87 1.C87 1.E102 1.E102 C Shift Assignments>> C :: 177.274 CA :: 54.155 CB :: 41.807 CG :: 26.372 CD1 :: 24.759 CD2 :: 22.587 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.961 HA :: 4.392 HB2 :: 1.799 HB3 :: 1.324 HG :: 1.796 HD11 :: 0.715 HD12 :: 0.715 HD13 :: 0.715 HD21 :: 0.89 HD22 :: 0.89 HD23 :: 0.89 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.675 Ave N Shift Values>> N :: 121.98(4.07) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.38 R 0.14 M 0.01 G 0.01 C Shift Assignments>> C :: 176.918 CA :: 55.188 CB :: 34.484 CG :: 24.65 CD :: 28.809 CE :: 42.247 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.543 HA :: 4.612 HB2 :: 1.774 HB3 :: 1.774 HG2 :: 1.447 HG3 :: 1.447 HD2 :: 1.635 HD3 :: 1.635 HE2 :: 2.984 HE3 :: 2.984 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.928 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 174.678 CA :: 45.883 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.468 HA2 :: 3.972 HA3 :: 3.672 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.283 Ave N Shift Values>> N :: 109.91(4.29) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 174.72 CA :: 63.666 CB :: 31.363 CG1 :: 23.544 CG2 :: 20.751 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.101 HA :: 3.613 HB :: 1.721 HG11 :: 0.569 HG12 :: 0.569 HG13 :: 0.569 HG21 :: 0.25 HG22 :: 0.25 HG23 :: 0.25 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.706 Ave N Shift Values>> N :: 121.02(4.96) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.24 L 0.14 C 0.12 K 0.05 F 0.04 R 0.01 C Shift Assignments>> C :: 177.458 CA :: 51.844 CB :: 41.018 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.972 HA :: 4.787 HB2 :: 2.959 HB3 :: 2.564 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.337 Ave N Shift Values>> N :: 120.73(4.2) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 178.638 CA :: 61.659 CB :: 38.383 CD1 :: 131.124 CD2 :: 131.124 CZ :: 129.927 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.502 HA :: 4.153 HB2 :: 3.212 HB3 :: 3.042 HD1 :: 7.292 HD2 :: 7.292 HZ :: 7.294 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.783 Ave N Shift Values>> N :: 120.69(4.18) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.22 E 0.14 R 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 178.776 CA :: 58.304 CB :: 28.271 CG :: 34.291 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.542 HA :: 4.243 HB2 :: 2.216 HB3 :: 2.216 HG2 :: 2.464 HG3 :: 2.464 HE21 :: 7.724 HE22 :: 6.852 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.455 NE2 :: 112.403 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.35 R 0.26 M 0.01 G 0.01 C Shift Assignments>> C :: 175.98 CA :: 57.562 CB :: 32.223 CG :: 25.839 CD :: 28.962 CE :: 42.329 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.526 HA :: 3.974 HB2 :: 1.809 HB3 :: 1.809 HG2 :: 1.318 HG3 :: 1.318 HD2 :: 1.612 HD3 :: 1.612 HE2 :: 2.966 HE3 :: 2.966 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.893 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 C Shift Assignments>> C :: 175.01 CA :: 58.007 CB :: 39.218 CD1 :: 131.386 CD2 :: 131.386 CE1 :: 131.055 CE2 :: 131.055 CZ :: 128.972 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.265 HA :: 4.391 HB2 :: 3.671 HB3 :: 2.749 HD1 :: 7.138 HD2 :: 7.138 HE1 :: 6.976 HE2 :: 6.976 HZ :: 6.625 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.639 Ave N Shift Values>> N :: 120.69(4.18) 1.C74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 I 0.18 C 0.16 R 0.15 L 0.11 Q 0.04 W 0.03 H 0.02 E 0.01 V 0.01 M 0.01 C Shift Assignments>> C :: 172.776 CA :: 59.116 CB :: 25.51 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.188 HA :: 4.72 HB2 :: 3.056 HB3 :: 2.854 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.75 Ave N Shift Values>> N :: 119.95(4.79) 1.M75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 A 0.34 M 0.3 I 0.01 C Shift Assignments>> C :: 172.302 CA :: 54.441 CB :: 35.239 CG :: 30.514 CE :: 17.695 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.434 HA :: 4.758 HB2 :: 2.347 HB3 :: 2.065 HG2 :: 2.8 HG3 :: 2.199 HE1 :: 1.995 HE2 :: 1.995 HE3 :: 1.995 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.62 Ave N Shift Values>> N :: 120.1(3.88) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.994 CA :: 57.856 CB :: 64.81 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.507 HA :: 4.517 HB2 :: 4.194 HB3 :: 4.194 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.777 Ave N Shift Values>> N :: 116.3(3.95) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 C 0.24 P 0.03 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 176.096 CA :: 47.512 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.838 HA2 :: 4.649 HA3 :: 3.701 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.927 Ave N Shift Values>> N :: 109.91(4.29) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.3 I 0.05 C 0.02 C Shift Assignments>> C :: 180.483 CA :: 55.355 CB :: 17.758 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.422 HA :: 3.867 HB1 :: 1.458 HB2 :: 1.458 HB3 :: 1.458 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.989 Ave N Shift Values>> N :: 123.23(3.7) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.45 C 0.03 I 0.02 C Shift Assignments>> C :: 180.24 CA :: 54.704 CB :: 18.515 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.602 HA :: 4.057 HB1 :: 1.485 HB2 :: 1.485 HB3 :: 1.485 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.225 Ave N Shift Values>> N :: 123.23(3.7) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.26 G 0.18 L 0.18 C Shift Assignments>> C :: 179.3 CA :: 58.272 CB :: 43.859 CG :: 26.781 CD1 :: 25.08 CD2 :: 27.648 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.314 HA :: 4.307 HB2 :: 2.094 HB3 :: 1.753 HG :: 1.889 HD11 :: 1.381 HD12 :: 1.381 HD13 :: 1.381 HD21 :: 1.259 HD22 :: 1.259 HD23 :: 1.259 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.827 Ave N Shift Values>> N :: 121.98(4.07) 1.C81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 I 0.4 C 0.07 W 0.02 R 0.02 C Shift Assignments>> C :: 175.325 CA :: 62.927 CB :: 27.251 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.237 HA :: 3.951 HB2 :: 2.664 HB3 :: 2.664 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 112.565 Ave N Shift Values>> N :: 119.95(4.79) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.02 C Shift Assignments>> C :: 178.183 CA :: 52.226 CB :: 19.141 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.346 HA :: 4.361 HB1 :: 1.465 HB2 :: 1.465 HB3 :: 1.465 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.69 Ave N Shift Values>> N :: 123.23(3.7) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 C 0.32 R 0.2 G 0.12 A 0.01 C Shift Assignments>> C :: 179.168 CA :: 56.891 CB :: 43.605 CG :: 26.305 CD1 :: 27.255 CD2 :: 22.899 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.318 HA :: 4.152 HB2 :: 2.208 HB3 :: 1.474 HG :: 2.304 HD11 :: 1.044 HD12 :: 1.044 HD13 :: 1.044 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.25 Ave N Shift Values>> N :: 121.98(4.07) 1.G84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.31 L 0.25 R 0.24 C 0.1 F 0.02 D 0.02 K 0.01 C Shift Assignments>> C :: 172.939 CA :: 44.182 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.929 HA2 :: 2.528(S) HA3 :: 2.528(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.777 Ave N Shift Values>> N :: 109.91(4.29) 1.K85 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 K 0.39 R 0.15 G 0.02 M 0.01 C Shift Assignments>> C :: 177.237 CA :: 60.447 CB :: 33.098 CG :: 24.664 CD :: 29.624 CE :: 42.376 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.115 HA :: 2.17(S) HB2 :: 1.229 HB3 :: 0.976 HG2 :: 0.614 HG3 :: -0.361(S) HD2 :: 1.293 HD3 :: 1.212 HE2 :: 2.632 HE3 :: 2.486 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.337 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 C 0.32 E 0.2 K 0.03 C Shift Assignments>> C :: 179.419 CA :: 60.576 CB :: 28.603 CG :: 36.928 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.403 HA :: 3.721 HB2 :: 1.952 HB3 :: 1.952 HG2 :: 2.308 HG3 :: 2.201 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.971 Ave N Shift Values>> N :: 120.68(3.68) 1.C87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 P 0.34 C 0.09 W 0.04 R 0.04 K 0.01 E 0.01 Q 0.01 HN Overlap>> 1.L65 1.E102 1.L65 1.E102 C Shift Assignments>> C :: 177.188 CA :: 62.206 CB :: 27.203 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.888 HA :: 4.126 HB2 :: 2.902 HB3 :: 2.832 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.735 Ave N Shift Values>> N :: 119.95(4.79) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 HN Overlap>> 1.E62 1.E62 C Shift Assignments>> C :: 177.452 CA :: 61.831 CB :: 39.882 CD1 :: 132.671 CD2 :: 132.671 CE1 :: 131.236 CE2 :: 131.236 CZ :: 128.85 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.44 HA :: 3.947 HB2 :: 3.055 HB3 :: 3.055 HD1 :: 7.268 HD2 :: 7.268 HE1 :: 7.775 HE2 :: 7.775 HZ :: 7.578 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.463 Ave N Shift Values>> N :: 120.69(4.18) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.45 K 0.03 A 0.02 C Shift Assignments>> C :: 179.315 CA :: 57.336 CB :: 41.093 CD1 :: 25.942 CD2 :: 22.037 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.488 HA :: 3.939 HB2 :: 1.817 HB3 :: 1.471 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 HD21 :: 0.822 HD22 :: 0.822 HD23 :: 0.822 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.551 Ave N Shift Values>> N :: 121.98(4.07) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.1 K 0.09 M 0.05 Q 0.03 C Shift Assignments>> C :: 177.769 CA :: 57.68 CB :: 29.697 CG :: 36.369 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.035 HA :: 4.124 HB2 :: 2.047 HB3 :: 2.047 HG2 :: 2.517 HG3 :: 2.251 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.984 Ave N Shift Values>> N :: 120.68(3.68) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.37 A 0.1 C Shift Assignments>> C :: 174.952 CA :: 55.77 CB :: 41.641 CG :: 25.291 CD1 :: 25.225 CD2 :: 21.819 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.68 HA :: 3.776 HB2 :: 1.303 HB3 :: 0.607 HG :: 1.585 HD11 :: 0.271 HD12 :: 0.271 HD13 :: 0.271 HD21 :: 0.487 HD22 :: 0.487 HD23 :: 0.487 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.938 Ave N Shift Values>> N :: 121.98(4.07) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 G 0.08 M 0.04 C 0.04 C Shift Assignments>> CA :: 48.957 CB :: 20.166 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.158 HA :: 4.897 HB1 :: 1.174 HB2 :: 1.174 HB3 :: 1.174 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.411 Ave N Shift Values>> N :: 123.23(3.7) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.803 CA :: 62.441 CB :: 32.541 CG :: 27.627 CD :: 50.385 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.547 HB2 :: 2.485 HB3 :: 1.79 HG2 :: 2.038 HG3 :: 2.038 HD2 :: 3.85 HD3 :: 3.138 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.21 C 0.18 L 0.16 K 0.1 N 0.06 I 0.02 R 0.01 C Shift Assignments>> C :: 177.435 CA :: 56.139 CB :: 40.399 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.593 HA :: 4.271 HB2 :: 2.495 HB3 :: 2.327 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.772 Ave N Shift Values>> N :: 120.73(4.2) 1.F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 177.343 CA :: 61.944 CB :: 37.651 CD1 :: 131.979 CD2 :: 131.979 CE1 :: 131.568 CE2 :: 131.568 CZ :: 129.947 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.605 HA :: 4.368 HB2 :: 3.426 HB3 :: 3.426 HD1 :: 7.284 HD2 :: 7.284 HE1 :: 7.377 HE2 :: 7.377 HZ :: 7.268 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.129 Ave N Shift Values>> N :: 120.69(4.18) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 HN Overlap>> 1.M20 1.M20 C Shift Assignments>> C :: 177.673 CA :: 65.371 CB :: 32.151 CG1 :: 22.64 CG2 :: 22.052 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.181 HA :: 3.663 HB :: 2.005 HG11 :: 1.102 HG12 :: 1.102 HG13 :: 1.102 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.487 Ave N Shift Values>> N :: 121.02(4.96) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 C 0.26 P 0.17 A 0.07 N 0.03 L 0.01 D 0.01 C Shift Assignments>> C :: 174.787 CA :: 47.973 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.935 HA2 :: 3.735 HA3 :: 4.314 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.054 Ave N Shift Values>> N :: 109.91(4.29) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 C 0.19 K 0.17 L 0.13 D 0.08 I 0.07 R 0.03 C Shift Assignments>> C :: 178.771 CA :: 57.986 CB :: 40.833 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.036 HA :: 4.372 HB2 :: 2.693 HB3 :: 2.693 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.204 Ave N Shift Values>> N :: 120.73(4.2) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 176.992 CA :: 64.419 CB :: 38.212 CG1 :: 28.811 CG2 :: 17.041 CD1 :: 13.246 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.421 HA :: 3.944 HB :: 1.816 HG12 :: 0.901 HG13 :: 0.901 HG21 :: 0.599 HG22 :: 0.599 HG23 :: 0.599 HD11 :: 0.561 HD12 :: 0.561 HD13 :: 0.561 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.558 Ave N Shift Values>> N :: 121.6(4.72) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.36 I 0.03 A 0.02 K 0.02 C Shift Assignments>> C :: 178.522 CA :: 57.913 CB :: 41.323 CD1 :: 26.068 CD2 :: 21.4 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.568 HA :: 4.339 HB2 :: 2.127 HB3 :: 2.344 HG :: 1.781 HD11 :: 0.547 HD12 :: 0.547 HD13 :: 0.547 HD21 :: 0.295 HD22 :: 0.295 HD23 :: 0.295 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.633 Ave N Shift Values>> N :: 121.98(4.07) 1.W101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.62 C 0.36 H 0.01 C Shift Assignments>> C :: 174.574 CA :: 60.132 CB :: 29.383 CD1 :: 126.485 CE3 :: 120.576 CZ2 :: 114.163 CZ3 :: 121.917 CH2 :: 123.919 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.898 HA :: 3.741 HB2 :: 3.242 HB3 :: 3.242 HD1 :: 7.077 HE1 :: 9.759 HE3 :: 6.238 HZ2 :: 7.337 HZ3 :: 6.795 HH2 :: 7.101 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.855 NE1 :: 128.019 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.29 K 0.13 I 0.12 Q 0.09 M 0.02 HN Overlap>> 1.C87 1.L65 1.C87 1.L65 C Shift Assignments>> C :: 179.13 CA :: 58.933 CB :: 28.998 CG :: 35.618 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.957 HA :: 3.877 HB2 :: 2.338 HB3 :: 2.28 HG2 :: 2.548 HG3 :: 2.548 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.652 Ave N Shift Values>> N :: 120.68(3.68) 1.H103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 H 0.31 W 0.13 C Shift Assignments>> C :: 177.19 CA :: 57.362 CB :: 32.729 CD2 :: 116.373 CE1 :: 136.889 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.84 HA :: 3.744 HB2 :: 3.419 HB3 :: 2.751 HD2 :: 6.359 HE1 :: 6.776 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.331 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.42 C Shift Assignments>> C :: 179.798 CA :: 57.721 CB :: 40.861 CG :: 26.242 CD1 :: 23.87 CD2 :: 23.34 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.089 HA :: 3.234 HB2 :: 1.238 HB3 :: 0.883 HG :: 1.158 HD11 :: 0.011 HD12 :: 0.011 HD13 :: 0.011 HD21 :: 0.077 HD22 :: 0.077 HD23 :: 0.077 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.911 Ave N Shift Values>> N :: 121.98(4.07) 1.E105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.3 Q 0.21 K 0.2 E 0.14 M 0.05 I 0.04 R 0.03 C Shift Assignments>> C :: 176.447 CA :: 59.612 CB :: 29.49 CG :: 33.945 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.936 HA :: 3.451 HB2 :: 1.715 HB3 :: 1.715 HG2 :: 1.412(S) HG3 :: 1.412(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.399 Ave N Shift Values>> N :: 120.68(3.68) 1.I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 HN Overlap>> 1.W47 1.W47 C Shift Assignments>> C :: 179.292 CA :: 64.872 CB :: 38.295 CG1 :: 29.708 CG2 :: 17.257 CD1 :: 14.592 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.601 HA :: 3.616 HB :: 2.062 HG12 :: 1.785 HG13 :: 1.205 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 HD11 :: 0.959 HD12 :: 0.959 HD13 :: 0.959 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.719 Ave N Shift Values>> N :: 121.6(4.72) 1.L107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.58 C 0.32 R 0.05 G 0.02 A 0.01 C Shift Assignments>> C :: 178.888 CA :: 57.138 CB :: 42.328 CG :: 26.29 CD1 :: 25.207 CD2 :: 22.572 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.344 HA :: 3.914 HB2 :: 1.397 HB3 :: 0.947 HG :: 1.282 HD11 :: -0.125(S) HD12 :: -0.125(S) HD13 :: -0.125(S) HD21 :: 0.869 HD22 :: 0.869 HD23 :: 0.869 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.281 Ave N Shift Values>> N :: 121.98(4.07) 1.Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 M 0.17 I 0.03 Q 0.03 K 0.03 C Shift Assignments>> C :: 176.632 CA :: 57.434 CB :: 31.414 CG :: 36.168 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.316 HA :: 3.897 HB2 :: 1.76 HB3 :: 1.76 HG2 :: 2.141 HG3 :: 1.756 HE21 :: 6.663 HE22 :: 5.981 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.148 NE2 :: 109.697 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.19 M 0.02 HN Overlap>> 1.K33 1.K33 C Shift Assignments>> C :: 176.727 CA :: 56.933 CB :: 33.107 CG :: 25.024 CD :: 29.182 CE :: 42.145 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.383 HA :: 4.173 HB2 :: 1.827 HB3 :: 1.827 HG2 :: 1.438 HG3 :: 1.438 HD2 :: 1.611 HD3 :: 1.611 HE2 :: 2.921 HE3 :: 2.921 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.405 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.1 K 0.07 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.151 CA :: 56.898 CB :: 30.351 CG :: 36.262 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.965 HA :: 4.181 HB2 :: 1.971 HB3 :: 1.971 HG2 :: 2.264 HG3 :: 2.264 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.275 Ave N Shift Values>> N :: 120.68(3.68) 1.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.21 K 0.13 C 0.11 N 0.1 F 0.08 R 0.03 HN Overlap>> 1.Q22 1.Q22 C Shift Assignments>> C :: 175.769 CA :: 54.23 CB :: 41.197 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.303 HA :: 4.593 HB2 :: 2.6 HB3 :: 2.6 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.511 Ave N Shift Values>> N :: 120.73(4.2) 1.V112 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 :: 175.238 CA :: 62.349 CB :: 32.629 CG1 :: 21.305 CG2 :: 20.449 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.935 HA :: 4.074 HB :: 2.076 HG11 :: 0.901 HG12 :: 0.901 HG13 :: 0.901 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.435 Ave N Shift Values>> N :: 121.02(4.96) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 Q 0.19 K 0.17 M 0.16 E 0.06 W 0.05 V 0.04 R 0.04 H 0.03 C Shift Assignments>> CA :: 57.555 CB :: 33.724 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.876 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 130.276 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 103 #Clerical: 0 #Suspicious: 5 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 109 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 1 C Shift Results: #Consistent: 497 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 769 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 4 N Shift Results: #Consistent: 117 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q35 HG3 = 1.361(S), Expected = 2.32, Std = 0.2900, ChiSquare = 9.4336e-04 1.P44 HA = 1.19(A), Expected = 4.41, Std = 0.3600, ChiSquare = 3.7383e-19 1.P44 HB2 = 0.395(S), Expected = 2.05, Std = 0.3900, ChiSquare = 2.1997e-05 1.P44 HB3 = -0.304(A), Expected = 2.05, Std = 0.3900, ChiSquare = 1.5808e-09 1.T48 H = 11.122(A), Expected = 8.27, Std = 0.6200, ChiSquare = 4.2249e-06 1.E62 HB2 = 0.524(S), Expected = 2.04, Std = 0.2200, ChiSquare = 5.5437e-12 1.E62 HB3 = 0.163(S), Expected = 2.04, Std = 0.2300, ChiSquare = 3.3262e-16 1.E62 HG2 = 1.436(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.1560e-05 1.E62 HG3 = 0.952(A), Expected = 2.31, Std = 0.2100, ChiSquare = 1.0019e-10 1.G84 HA2 = 2.528(S), Expected = 3.95, Std = 0.4000, ChiSquare = 3.7798e-04 1.G84 HA3 = 2.528(S), Expected = 3.93, Std = 0.4000, ChiSquare = 4.5661e-04 1.K85 HA = 2.17(S), Expected = 4.28, Std = 0.4500, ChiSquare = 2.7469e-06 1.K85 HG3 = -0.361(S), Expected = 1.37, Std = 0.2900, ChiSquare = 2.3876e-09 1.K85 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K85 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.E105 HG2 = 1.412(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.9012e-05 1.E105 HG3 = 1.412(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.9012e-05 1.L107 HD11 = -0.125(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.1704e-04 1.L107 HD12 = -0.125(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.1704e-04 1.L107 HD13 = -0.125(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.1704e-04