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.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.1 H 0.09 K 0.09 R 0.09 M 0.09 C 0.08 E 0.07 L 0.07 W 0.06 Y 0.06 F 0.05 S 0.03 D 0.03 N 0.01 A 0.01 HN Overlap>> 1.H7 1.H7 1.D16 1.D16 C Shift Assignments>> CA :: 56.570 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 :: 8.395 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 :: 122.668 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> Q 0.1 H 0.09 K 0.09 R 0.09 M 0.09 C 0.08 E 0.07 L 0.07 W 0.06 Y 0.06 F 0.05 S 0.03 D 0.03 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.568 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) 1.H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 R 0.14 E 0.13 W 0.13 Q 0.12 C 0.12 K 0.08 M 0.06 I 0.01 HN Overlap>> 1.H5 1.D16 1.H5 1.D16 C Shift Assignments>> C :: 174.875 CA :: 56.573 CB :: 30.183 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 :: 8.394 HA :: 4.644 HB3 :: 3.168 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 :: 122.718 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.29 R 0.09 G 0.02 A 0.01 C Shift Assignments>> C :: 177.316 CA :: 55.557 CB :: 42.411 CG :: 27.106 CD1 :: 25.035 CD2 :: 23.670 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 :: 8.330 HA :: 4.343 HB3 :: 1.596 HG :: 1.482 HD11 :: 0.903 HD12 :: 0.903 HD13 :: 0.903 HD21 :: 0.856 HD22 :: 0.856 HD23 :: 0.856 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 :: 123.671 Ave N Shift Values>> N :: 121.98(4.07) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.11 I 0.05 K 0.05 Q 0.02 C Shift Assignments>> C :: 176.475 CA :: 56.888 CB :: 30.583 CG :: 36.524 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 :: 8.432 HA :: 4.291 HB2 :: 1.966 HB3 :: 2.070 HG3 :: 2.321 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 :: 121.694 Ave N Shift Values>> N :: 120.68(3.68) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.27 C 0.03 L 0.01 C Shift Assignments>> C :: 177.970 CA :: 53.344 CB :: 19.603 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.342 HA :: 4.345 HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.056 Ave N Shift Values>> N :: 123.23(3.7) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.933 CA :: 58.884 CB :: 64.502 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.281 HA :: 4.480 HB3 :: 3.922 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 :: 114.689 Ave N Shift Values>> N :: 116.3(3.95) 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 :: 174.595 CA :: 58.847 CB :: 64.502 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.305 HA :: 4.519 HB3 :: 3.928 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 :: 117.711 Ave N Shift Values>> N :: 116.3(3.95) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.3 R 0.09 G 0.02 C Shift Assignments>> C :: 177.156 CA :: 55.896 CB :: 42.408 CG :: 27.109 CD1 :: 25.035 CD2 :: 23.687 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 :: 8.193 HA :: 4.360 HB3 :: 1.650 HG :: 1.632 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 0.874 HD22 :: 0.874 HD23 :: 0.874 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 :: 123.350 Ave N Shift Values>> N :: 121.98(4.07) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.24 C 0.14 Y 0.08 F 0.07 L 0.06 C Shift Assignments>> C :: 174.990 CA :: 53.433 CB :: 39.310 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 :: 8.335 HA :: 4.734 HB2 :: 2.731 HB3 :: 2.857 HD21 :: 6.937 HD22 :: 7.620 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 :: 118.870 ND2 :: 113.273 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.37 M 0.13 I 0.04 K 0.04 Q 0.02 C Shift Assignments>> C :: 175.915 CA :: 56.607 CB :: 30.861 CG :: 36.546 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 :: 8.263 HA :: 4.340 HB2 :: 2.076 HB3 :: 1.904 HG2 :: 2.260 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 :: 120.939 Ave N Shift Values>> N :: 120.68(3.68) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.14 C 0.11 K 0.09 F 0.05 Y 0.04 R 0.03 HN Overlap>> 1.H7 1.H5 1.H7 1.H5 C Shift Assignments>> C :: 175.949 CA :: 52.775 CB :: 41.390 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 :: 8.392 HA :: 4.907 HB2 :: 2.544 HB3 :: 2.747 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 :: 122.630 Ave N Shift Values>> N :: 120.73(4.2) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.559 CA :: 63.826 CB :: 32.606 CG :: 27.496 CD :: 50.841 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 :: 4.458 HB2 :: 2.329 HB3 :: 2.002 HG3 :: 2.055 HD2 :: 3.818 HD3 :: 3.865 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.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 M 0.1 I 0.06 K 0.04 Q 0.02 HN Overlap>> 1.I144 1.I144 C Shift Assignments>> C :: 177.320 CA :: 57.214 CB :: 30.668 CG :: 36.644 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 :: 8.516 HA :: 4.315 HB2 :: 1.971 HB3 :: 2.134 HG3 :: 2.329 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 :: 120.335 Ave N Shift Values>> N :: 120.68(3.68) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.027 CA :: 45.613 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.278 HA2 :: 4.029 HA3 :: 4.022 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.681 Ave N Shift Values>> N :: 109.91(4.29) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.946 CA :: 58.200 CB :: 64.546 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.194 HA :: 4.612 HB2 :: 3.896 HB3 :: 3.982 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 :: 115.461 Ave N Shift Values>> N :: 116.3(3.95) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.34 K 0.22 L 0.02 G 0.01 C Shift Assignments>> C :: 175.594 CA :: 57.380 CB :: 30.060 CG :: 26.674 CD :: 42.414 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 :: 9.280 HA :: 4.331 HB2 :: 2.063 HB3 :: 1.893 HG2 :: 1.720 HG3 :: 1.606 HD2 :: 3.056 HD3 :: 3.440 HE :: 7.668 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 :: 125.932 NE :: 83.971 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.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 176.140 CA :: 61.436 CB :: 40.386 CG1 :: 28.272 CG2 :: 17.892 CD1 :: 14.376 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 :: 8.132 HA :: 4.617 HB :: 1.578 HG12 :: 0.584 HG13 :: 1.546 HG21 :: 0.282 HG22 :: 0.282 HG23 :: 0.282 HD11 :: 0.926 HD12 :: 0.926 HD13 :: 0.926 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 :: 118.956 Ave N Shift Values>> N :: 121.6(4.72) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 171.943 CA :: 62.164 CB :: 70.984 CG2 :: 21.603 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 :: 8.519 HA :: 4.400 HB :: 3.917 HG21 :: 1.128 HG22 :: 1.128 HG23 :: 1.128 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 :: 124.476 Ave N Shift Values>> N :: 115.7(5.05) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 176.057 CA :: 58.174 CB :: 40.206 CD1 :: 133.704 CE1 :: 117.390 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.692 HA :: 5.147 HB2 :: 2.730 HB3 :: 2.877 HD1 :: 7.046 HD2 :: 7.046 HE1 :: 6.810 HE2 :: 6.810 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.109 Ave N Shift Values>> N :: 120.79(4.69) 1.V25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 174.180 CA :: 61.180 CB :: 35.554 CG1 :: 22.145 CG2 :: 21.783 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 :: 8.668 HA :: 4.056 HB :: 0.806(S) HG11 :: 0.581 HG12 :: 0.581 HG13 :: 0.581 HG21 :: 0.386 HG22 :: 0.386 HG23 :: 0.386 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 :: 123.957 Ave N Shift Values>> N :: 121.02(4.96) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.31 R 0.21 M 0.04 G 0.01 HN Overlap>> 1.I90 1.I90 C Shift Assignments>> C :: 176.174 CA :: 54.559 CB :: 32.518 CG :: 25.046 CD :: 29.669 CE :: 42.385 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 :: 8.329 HA :: 5.155 HB2 :: 1.832 HB3 :: 1.626 HG2 :: 1.431 HG3 :: 1.274 HD3 :: 1.682 HE3 :: 2.999 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 :: 128.011 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 171.128 CA :: 45.501 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.509 HA2 :: 4.044 HA3 :: 4.226 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.459 Ave N Shift Values>> N :: 109.91(4.29) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.23 R 0.12 K 0.12 C 0.1 N 0.04 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 176.258 CA :: 53.553 CB :: 42.347 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 :: 8.276 HA :: 4.417 HB2 :: 2.590 HB3 :: 2.688 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 :: 119.563 Ave N Shift Values>> N :: 120.73(4.2) 1.L29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.36 C 0.32 R 0.22 G 0.08 C Shift Assignments>> C :: 175.833 CA :: 57.262 CB :: 43.309 CG :: 26.653 CD1 :: 27.247 CD2 :: 24.940 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 :: 8.279 HA :: 2.467(S) HB2 :: 1.147 HB3 :: 0.837 HG :: 0.564 HD11 :: 0.487 HD12 :: 0.487 HD13 :: 0.487 HD21 :: 0.449 HD22 :: 0.449 HD23 :: 0.449 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 :: 130.106 Ave N Shift Values>> N :: 121.98(4.07) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 Y 0.34 C 0.29 C Shift Assignments>> C :: 175.970 CA :: 60.355 CB :: 37.150 CD1 :: 131.329 CE1 :: 131.014 CZ :: 129.057 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 :: 7.493 HA :: 3.950 HB2 :: 3.089 HB3 :: 2.819 HD1 :: 7.129 HD2 :: 7.129 HE1 :: 6.490 HE2 :: 6.490 HZ :: 5.957 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 :: 109.893 Ave N Shift Values>> N :: 120.69(4.18) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C 0.02 C Shift Assignments>> C :: 176.933 CA :: 51.663 CB :: 18.875 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.765 HA :: 4.549 HB1 :: 1.483 HB2 :: 1.483 HB3 :: 1.483 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.588 Ave N Shift Values>> N :: 123.23(3.7) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 R 0.2 L 0.16 C 0.14 Q 0.07 I 0.07 H 0.04 W 0.04 E 0.02 C Shift Assignments>> C :: 171.079 CA :: 57.463 CB :: 25.922 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.252 HA :: 4.622 HB2 :: 2.618 HB3 :: 3.495 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 :: 118.948 Ave N Shift Values>> N :: 119.95(4.79) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 178.716 CA :: 64.442 CB :: 32.051 CG :: 28.548 CD :: 50.931 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 :: 4.405 HB2 :: 2.367 HB3 :: 1.844 HG2 :: 1.975 HG3 :: 2.144 HD2 :: 3.578 HD3 :: 3.773 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.K34 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 0.02 C Shift Assignments>> C :: 175.862 CA :: 59.076 CB :: 32.543 CG :: 25.035 CD :: 29.558 CE :: 41.956 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 :: 8.769 HA :: 4.139 HB3 :: 1.959 HG2 :: 1.566 HG3 :: 1.629 HD3 :: 1.771 HE3 :: 3.070 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 :: 122.929 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 176.321 CA :: 61.403 CB :: 68.912 CG2 :: 22.310 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 :: 7.121 HA :: 4.186 HB :: 4.555 HG21 :: 1.264 HG22 :: 1.264 HG23 :: 1.264 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 :: 102.849 Ave N Shift Values>> N :: 115.7(5.05) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.16 F 0.13 C 0.12 Y 0.11 K 0.11 N 0.07 R 0.01 I 0.01 C Shift Assignments>> C :: 177.811 CA :: 55.358 CB :: 40.707 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 :: 7.799 HA :: 4.569 HB2 :: 2.939 HB3 :: 2.668 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 :: 125.463 Ave N Shift Values>> N :: 120.73(4.2) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.78 T 0.21 C Shift Assignments>> C :: 172.586 CA :: 61.788 CB :: 65.485 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.483 HA :: 5.154 HB2 :: 4.109 HB3 :: 4.416 HG :: 6.412 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 :: 118.551 Ave N Shift Values>> N :: 116.3(3.95) 1.L38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.95 G 0.02 L 0.01 HN Overlap>> 1.M111 1.M111 C Shift Assignments>> C :: 176.238 CA :: 54.396 CB :: 48.860(S) CG :: 28.202 CD1 :: 26.329 CD2 :: 26.011 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 :: 8.546 HA :: 6.012(S) HB2 :: 1.784 HB3 :: 1.577 HG :: 1.553 HD11 :: 0.770 HD12 :: 0.770 HD13 :: 0.770 HD21 :: 0.754 HD22 :: 0.754 HD23 :: 0.754 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 :: 122.056 Ave N Shift Values>> N :: 121.98(4.07) 1.A39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.33 P 0.24 C 0.18 K 0.11 R 0.05 M 0.02 H 0.01 Q 0.01 HN Overlap>> 1.K58 1.K58 C Shift Assignments>> C :: 174.589 CA :: 51.289 CB :: 24.898 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.087 HA :: 5.866(S) HB1 :: 1.412 HB2 :: 1.412 HB3 :: 1.412 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.387 Ave N Shift Values>> N :: 123.23(3.7) 1.H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.15 C 0.14 R 0.13 K 0.13 H 0.12 W 0.11 E 0.09 Q 0.07 V 0.01 C Shift Assignments>> C :: 172.631 CA :: 56.240 CB :: 31.653 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 :: 8.061 HA :: 4.586 HB3 :: 2.972 HD2 :: 6.822 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 :: 111.592 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 R 0.14 E 0.14 C 0.13 H 0.11 Q 0.09 M 0.07 K 0.07 V 0.03 I 0.02 C Shift Assignments>> C :: 175.195 CA :: 57.950 CB :: 30.720 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.203 HA :: 5.519 HB3 :: 3.052 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 :: 116.357 Ave N Shift Values>> N :: 119.95(4.79) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 G 0.36 I 0.04 C Shift Assignments>> C :: 173.446 CA :: 60.568 CB :: 43.647 CG1 :: 26.977 CG2 :: 20.334 CD1 :: 16.642 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 :: 9.217 HA :: 4.835 HB :: 2.283 HG12 :: 0.484 HG13 :: 1.292 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 HD11 :: 1.030 HD12 :: 1.030 HD13 :: 1.030 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 :: 117.384 Ave N Shift Values>> N :: 121.6(4.72) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.85 T 0.14 C Shift Assignments>> C :: 176.169 CA :: 56.090 CB :: 66.599 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.890 HA :: 5.168 HB2 :: 3.630 HB3 :: 3.314 HG :: 2.889 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 :: 111.967 Ave N Shift Values>> N :: 116.3(3.95) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 I 0.29 E 0.25 M 0.02 C Shift Assignments>> C :: 177.608 CA :: 59.795 CB :: 30.849 CG :: 37.854 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 :: 8.227 HA :: 3.791 HB2 :: 2.371 HB3 :: 2.207 HG3 :: 2.502 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 :: 118.743 Ave N Shift Values>> N :: 120.68(3.68) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.16 C 0.12 N 0.11 F 0.1 K 0.09 Y 0.09 R 0.01 C Shift Assignments>> C :: 176.017 CA :: 54.682 CB :: 40.748 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 :: 7.523 HA :: 4.374 HB2 :: 2.903 HB3 :: 2.714 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 :: 113.724 Ave N Shift Values>> N :: 120.73(4.2) 1.C46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 P 0.23 C 0.12 R 0.06 K 0.03 W 0.03 V 0.01 Q 0.01 L 0.01 C Shift Assignments>> C :: 173.525 CA :: 61.685 CB :: 26.075 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.341 HA :: 3.798 HB2 :: 3.055 HB3 :: 2.825 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 :: 112.101 Ave N Shift Values>> N :: 119.95(4.79) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.13 G 0.06 C Shift Assignments>> C :: 177.344 CA :: 58.506 CB :: 30.648 CG :: 27.624 CD :: 43.275 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 :: 7.504 HA :: 4.032 HB2 :: 1.744 HB3 :: 1.799 HG2 :: 1.509 HG3 :: 1.589 HD3 :: 3.187 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 :: 117.679 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.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 A 0.19 I 0.13 M 0.01 HN Overlap>> 1.G131 1.G131 C Shift Assignments>> C :: 177.398 CA :: 56.438 CG :: 36.589 CE :: 18.446 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 :: 8.929 HA :: 4.059 HB3 :: 1.808 HG3 :: 2.355 HE1 :: 2.147 HE2 :: 2.147 HE3 :: 2.147 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 :: 112.732 Ave N Shift Values>> N :: 120.1(3.88) 1.G49 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 :: 174.005 CA :: 45.897 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.193 HA2 :: 4.248 HA3 :: 3.633 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.343 Ave N Shift Values>> N :: 109.91(4.29) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 A 0.19 C 0.17 M 0.1 K 0.06 C Shift Assignments>> C :: 176.963 CA :: 51.475 CB :: 22.999 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.724 HA :: 4.717 HB1 :: 1.449 HB2 :: 1.449 HB3 :: 1.449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.140 Ave N Shift Values>> N :: 123.23(3.7) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 175.891 CA :: 46.195 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.725 HA2 :: 3.983 HA3 :: 4.238 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.334 Ave N Shift Values>> N :: 109.91(4.29) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 177.403 CA :: 63.754 CB :: 39.272 CG1 :: 30.763 CG2 :: 17.613 CD1 :: 15.024 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 :: 8.895 HA :: 4.350 HB :: 2.198 HG12 :: 1.993 HG13 :: 1.764 HG21 :: 1.278 HG22 :: 1.278 HG23 :: 1.278 HD11 :: 1.117 HD12 :: 1.117 HD13 :: 1.117 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 :: 125.573 Ave N Shift Values>> N :: 121.6(4.72) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.25 I 0.06 C 0.04 V 0.01 C Shift Assignments>> C :: 179.299 CA :: 55.969 CB :: 18.405 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.627 HA :: 4.416 HB1 :: 1.805 HB2 :: 1.805 HB3 :: 1.805 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.938 Ave N Shift Values>> N :: 123.23(3.7) 1.V54 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 :: 178.377 CA :: 66.178 CB :: 32.413 CG1 :: 21.174 CG2 :: 22.421 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 :: 7.384 HA :: 3.865 HB :: 1.984 HG11 :: 0.995 HG12 :: 0.995 HG13 :: 0.995 HG21 :: 1.018 HG22 :: 1.018 HG23 :: 1.018 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 :: 116.133 Ave N Shift Values>> N :: 121.02(4.96) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.37 R 0.17 K 0.01 C Shift Assignments>> C :: 180.086 CA :: 57.929 CB :: 41.681 CG :: 27.948 CD1 :: 23.092 CD2 :: 25.682 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 :: 7.380 HA :: 3.999 HB2 :: 0.956 HB3 :: 2.088 HG :: 1.697 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.982 HD22 :: 0.982 HD23 :: 0.982 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 :: 119.896 Ave N Shift Values>> N :: 121.98(4.07) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.34 C 0.18 HN Overlap>> 1.R84 1.R84 C Shift Assignments>> C :: 180.597 CA :: 63.231 CB :: 39.839 CD1 :: 131.532 CE1 :: 131.340 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 :: 7.776 HA :: 4.032 HB2 :: 3.332 HB3 :: 2.949 HD1 :: 7.067 HD2 :: 7.067 HE1 :: 6.819 HE2 :: 6.819 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 :: 118.505 Ave N Shift Values>> N :: 120.69(4.18) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.34 R 0.2 G 0.02 M 0.01 C Shift Assignments>> C :: 179.324 CA :: 61.172 CB :: 32.053 CG :: 25.358 CD :: 29.890 CE :: 42.191 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 :: 8.816 HA :: 4.207 HB3 :: 2.299 HG3 :: 1.444 HD2 :: 1.972 HD3 :: 1.796 HE2 :: 3.057 HE3 :: 3.209 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 :: 124.759 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.2 G 0.01 M 0.01 HN Overlap>> 1.A39 1.A39 C Shift Assignments>> C :: 178.288 CA :: 59.815 CB :: 33.411 CG :: 25.399 CD :: 29.514 CE :: 42.191 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 :: 8.193 HA :: 3.977 HB2 :: 1.777 HB3 :: 1.808 HG2 :: 1.404 HG3 :: 1.574 HD3 :: 1.605 HE3 :: 2.918 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 :: 119.385 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.17 M 0.01 C Shift Assignments>> C :: 178.325 CA :: 59.105 CB :: 32.799 CG :: 25.035 CD :: 28.595 CE :: 41.867 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 :: 7.990 HA :: 3.729 HB2 :: 0.459(S) HB3 :: 0.775(S) HG2 :: 0.526 HG3 :: 0.588 HD2 :: 0.520(S) HD3 :: 0.730(S) HE2 :: 2.155(S) HE3 :: 2.255(S) 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 :: 116.125 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.36 C 0.25 C Shift Assignments>> C :: 176.386 CA :: 57.226 CB :: 41.018 CD1 :: 131.952 CE1 :: 131.532 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 :: 7.698 HA :: 5.058 HB2 :: 3.250 HB3 :: 3.088 HD1 :: 7.362 HD2 :: 7.362 HE1 :: 7.082 HE2 :: 7.082 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 :: 112.751 Ave N Shift Values>> N :: 120.69(4.18) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 174.444 CA :: 46.929 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.863 HA2 :: 4.006 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.712 Ave N Shift Values>> N :: 109.91(4.29) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.17 L 0.04 C Shift Assignments>> C :: 174.790 CA :: 46.970 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.604 HA2 :: 4.026 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.121 Ave N Shift Values>> N :: 109.91(4.29) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 177.710 CA :: 68.263 CB :: 31.568 CG1 :: 23.416 CG2 :: 21.594 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 :: 7.987 HA :: 3.374 HB :: 2.059 HG11 :: 1.032 HG12 :: 1.032 HG13 :: 1.032 HG21 :: 0.969 HG22 :: 0.969 HG23 :: 0.969 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 :: 119.112 Ave N Shift Values>> N :: 121.02(4.96) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.19 Q 0.19 E 0.17 I 0.07 R 0.03 M 0.01 C Shift Assignments>> C :: 178.120 CA :: 59.181 CB :: 28.427 CG :: 34.568 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 :: 8.515 HA :: 3.984 HB2 :: 2.080 HB3 :: 2.115 HG3 :: 2.432 HE21 :: 7.020 HE22 :: 7.516 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 :: 116.942 NE2 :: 114.761 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E65 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 C 0.34 E 0.26 K 0.02 M 0.01 C Shift Assignments>> C :: 60.016(A) CA :: 59.892 CB :: 29.591 CG :: 37.430 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 :: 7.544 HA :: 4.027 HB2 :: 2.233 HB3 :: 2.051 HG2 :: 2.351 HG3 :: 2.294 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 :: 119.734 Ave N Shift Values>> N :: 120.68(3.68) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.33 R 0.04 G 0.04 C Shift Assignments>> C :: 181.020 CA :: 58.211 CB :: 42.628 CG :: 25.777 CD1 :: 25.682 CD2 :: 23.416 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 :: 8.447 HA :: 3.910 HB2 :: 2.062 HB3 :: 1.091 HG :: 1.504 HD11 :: 0.104 HD12 :: 0.104 HD13 :: 0.104 HD21 :: 0.030 HD22 :: 0.030 HD23 :: 0.030 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 :: 121.272 Ave N Shift Values>> N :: 121.98(4.07) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.34 R 0.22 G 0.03 C Shift Assignments>> C :: 181.323 CA :: 58.557 CB :: 42.514 CG :: 27.300 CD1 :: 23.092 CD2 :: 26.329 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 :: 8.674 HA :: 4.015 HB2 :: 1.922 HB3 :: 1.455 HG :: 1.748 HD11 :: 0.912 HD12 :: 0.912 HD13 :: 0.912 HD21 :: 0.855 HD22 :: 0.855 HD23 :: 0.855 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 :: 123.673 Ave N Shift Values>> N :: 121.98(4.07) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 C 0.2 Y 0.15 D 0.14 F 0.11 E 0.04 L 0.03 I 0.01 M 0.01 HN Overlap>> 1.R127 1.R127 C Shift Assignments>> C :: 176.936 CA :: 54.749 CB :: 38.492 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 :: 8.333 HA :: 4.603 HB3 :: 2.971 HD21 :: 6.986 HD22 :: 7.669 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 :: 117.014 ND2 :: 111.019 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.25 K 0.17 Q 0.14 I 0.07 M 0.02 R 0.01 C Shift Assignments>> C :: 175.973 CA :: 58.522 CB :: 28.932 CG :: 35.183 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 :: 7.691 HA :: 4.216 HB2 :: 2.160 HB3 :: 2.291 HG2 :: 2.514 HG3 :: 2.971 HE21 :: 6.731 HE22 :: 7.670 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 :: 118.336 NE2 :: 111.114 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.23 K 0.19 E 0.12 R 0.06 I 0.03 C Shift Assignments>> C :: 175.196 CA :: 57.134 CB :: 27.279 CG :: 34.567 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 :: 7.835 HA :: 4.041 HB2 :: 2.120 HB3 :: 2.233 HG3 :: 2.357 HE21 :: 6.820 HE22 :: 7.475 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 :: 114.255 NE2 :: 112.217 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.32 R 0.25 G 0.03 M 0.02 HN Overlap>> 1.M125 1.M125 C Shift Assignments>> C :: 177.034 CA :: 54.504 CB :: 32.937 CG :: 24.063 CD :: 28.272 CE :: 42.838 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 :: 9.138 HA :: 4.479 HB2 :: 1.575 HB3 :: 1.966 HG2 :: 1.335 HG3 :: 1.404 HD2 :: 1.614 HD3 :: 1.755 HE2 :: 3.137 HE3 :: 3.333 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 :: 118.648 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.31 R 0.21 G 0.02 M 0.01 C Shift Assignments>> C :: 175.215 CA :: 53.990 CB :: 35.937 CG :: 24.832 CD :: 29.243 CE :: 42.366 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 :: 9.061 HA :: 4.542 HB2 :: 1.626 HB3 :: 1.858 HG3 :: 1.409 HD3 :: 1.623 HE3 :: 3.020 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 :: 121.903 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 175.804 CA :: 61.215 CB :: 64.937 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.557 HA :: 3.971 HB2 :: 3.643 HB3 :: 3.363 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 :: 114.279 Ave N Shift Values>> N :: 116.3(3.95) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 172.625 CA :: 45.218 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.317 HA2 :: 4.210 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.875 Ave N Shift Values>> N :: 109.91(4.29) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 E 0.16 M 0.15 HN Overlap>> 1.N103 1.N103 C Shift Assignments>> C :: 174.707 CA :: 54.409 CB :: 32.655 CG :: 37.659 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 :: 7.941 HA :: 4.573 HB2 :: 2.598 HB3 :: 2.278 HG3 :: 2.074 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 :: 117.413 Ave N Shift Values>> N :: 120.68(3.68) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 I 0.15 V 0.07 HN Overlap>> 1.Y85 1.Y85 C Shift Assignments>> C :: 172.250 CA :: 59.904 CB :: 36.058 CG1 :: 20.355 CG2 :: 24.918 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 :: 8.323 HA :: 5.191 HB :: 1.966 HG11 :: 0.845 HG12 :: 0.845 HG13 :: 0.845 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 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 :: 118.082 Ave N Shift Values>> N :: 121.02(4.96) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 L 0.12 M 0.11 C 0.1 C Shift Assignments>> C :: 176.137 CA :: 50.748 CB :: 21.620 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.903 HA :: 4.918 HB1 :: 1.288 HB2 :: 1.288 HB3 :: 1.288 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.870 Ave N Shift Values>> N :: 123.23(3.7) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.43 C Shift Assignments>> C :: 176.384 CA :: 61.564 CB :: 36.519 CG1 :: 21.888 CG2 :: 21.888 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 :: 8.624 HA :: 5.274 HB :: 1.699 HG11 :: 0.540 HG12 :: 0.540 HG13 :: 0.540 HG21 :: 0.563 HG22 :: 0.563 HG23 :: 0.563 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 :: 119.606 Ave N Shift Values>> N :: 121.02(4.96) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 C 0.38 L 0.16 A 0.07 C Shift Assignments>> C :: 174.916 CA :: 53.672 CB :: 46.723 CG :: 27.300 CD1 :: 23.254 CD2 :: 26.006 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 :: 9.037 HA :: 4.850 HB2 :: 1.687 HB3 :: 1.310 HG :: 1.516 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 HD21 :: 0.905 HD22 :: 0.905 HD23 :: 0.905 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 :: 126.524 Ave N Shift Values>> N :: 121.98(4.07) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.26 M 0.03 G 0.01 C Shift Assignments>> C :: 177.546 CA :: 55.448 CB :: 33.965 CG :: 25.481 CD :: 29.890 CE :: 42.191 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 :: 8.748 HA :: 4.828 HB2 :: 1.813 HB3 :: 1.559 HG2 :: 1.044 HG3 :: 0.600 HD2 :: 1.530 HD3 :: 1.530 HE2 :: 2.571 HE3 :: 2.705 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 :: 123.555 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 G 0.22 K 0.12 R 0.08 C Shift Assignments>> C :: 175.555 CA :: 53.419 CB :: 34.442 CD :: 43.486 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 :: 8.699 HA :: 4.761 HB2 :: 1.454 HB3 :: 1.784 HG3 :: 1.321 HD2 :: 3.455 HD3 :: 3.717 HE :: 7.759 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 :: 127.886 NE :: 85.099 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.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.17 F 0.12 C 0.12 K 0.12 Y 0.11 N 0.07 R 0.02 I 0.01 C Shift Assignments>> C :: 176.123 CA :: 55.316 CB :: 40.816 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 :: 9.267 HA :: 4.308 HB2 :: 2.712 HB3 :: 2.921 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 :: 123.420 Ave N Shift Values>> N :: 120.73(4.2) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 172.787 CA :: 46.206 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.646 HA2 :: 4.086 HA3 :: 3.555 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.396 Ave N Shift Values>> N :: 109.91(4.29) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 G 0.32 R 0.23 K 0.05 HN Overlap>> 1.F56 1.F56 C Shift Assignments>> C :: 173.250 CA :: 53.348 CB :: 32.422 CG :: 25.783 CD :: 44.133 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 :: 7.828 HA :: 4.579 HB3 :: 1.844 HG2 :: 1.537 HG3 :: 1.842 HD2 :: 3.070 HD3 :: 3.070 HE :: 6.732 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 :: 118.421 NE :: 85.771 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.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 HN Overlap>> 1.V76 1.V76 C Shift Assignments>> C :: 173.763 CA :: 58.498 CB :: 40.928 CD1 :: 134.121 CE1 :: 117.548 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.375 HA :: 5.052 HB2 :: 2.643 HB3 :: 2.029 HD1 :: 7.011 HD2 :: 7.011 HE1 :: 6.842 HE2 :: 6.842 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.065 Ave N Shift Values>> N :: 120.79(4.69) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 174.353 CA :: 59.994 CB :: 38.000 CG1 :: 27.948 CG2 :: 19.232 CD1 :: 12.758 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 :: 8.941 HA :: 4.419 HB :: 1.964 HG12 :: 0.598 HG13 :: 0.760 HG21 :: 0.617 HG22 :: 0.617 HG23 :: 0.617 HD11 :: 0.084 HD12 :: 0.084 HD13 :: 0.084 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 :: 121.038 Ave N Shift Values>> N :: 121.6(4.72) 1.Y87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 174.403 CA :: 59.810 CB :: 40.249 CD1 :: 133.198 CE1 :: 117.503 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.538 HA :: 4.642 HB2 :: 3.059 HB3 :: 2.683 HD1 :: 6.872 HD2 :: 6.872 HE1 :: 6.301 HE2 :: 6.301 HH :: 11.289 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.677 Ave N Shift Values>> N :: 120.79(4.69) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 Y 0.26 H 0.04 W 0.03 C Shift Assignments>> C :: 174.390 CA :: 55.929 CB :: 36.388 CD1 :: 134.274 CE1 :: 119.531 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.239 HA :: 4.201 HB2 :: 3.034 HB3 :: 2.286 HD1 :: 7.099 HD2 :: 7.099 HE1 :: 6.753 HE2 :: 6.753 HH :: 9.872 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.673 Ave N Shift Values>> N :: 120.79(4.69) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.34 R 0.11 K 0.03 C Shift Assignments>> C :: 175.505 CA :: 55.891 CB :: 41.231 CG :: 27.624 CD1 :: 26.653 CD2 :: 24.711 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 :: 8.971 HA :: 4.163 HB2 :: 2.040 HB3 :: 1.326 HG :: 1.687 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 HD21 :: 0.819 HD22 :: 0.819 HD23 :: 0.819 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 :: 124.065 Ave N Shift Values>> N :: 121.98(4.07) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 I 0.23 V 0.01 HN Overlap>> 1.K26 1.K26 C Shift Assignments>> C :: 176.741 CA :: 59.671 CB :: 34.674 CG1 :: 26.494 CG2 :: 19.555 CD1 :: 12.110 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 :: 8.329 HA :: 4.409 HB :: 2.125 HG12 :: 1.113 HG13 :: 1.293 HG21 :: 0.583 HG22 :: 0.583 HG23 :: 0.583 HD11 :: 0.514 HD12 :: 0.514 HD13 :: 0.514 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 :: 127.910 Ave N Shift Values>> N :: 121.6(4.72) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 C 0.33 C Shift Assignments>> C :: 173.255 CA :: 62.157 CB :: 69.795 CG2 :: 24.233 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 :: 8.313 HA :: 4.372 HB :: 4.440 HG21 :: 1.161 HG22 :: 1.161 HG23 :: 1.161 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 :: 114.163 Ave N Shift Values>> N :: 115.7(5.05) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.25 K 0.1 A 0.06 V 0.04 C Shift Assignments>> C :: 175.470 CA :: 55.262 CB :: 34.576 CG :: 22.387 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 :: 7.539 HA :: 4.687 HB3 :: 1.823 HE3 :: 2.988 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 :: 115.052 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.41 R 0.14 C Shift Assignments>> C :: 176.140 CA :: 60.473 CB :: 33.917 CG :: 25.370 CD :: 29.413 CE :: 41.736 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 :: 9.558 HA :: 3.899 HB3 :: 1.945 HG2 :: 1.424 HG3 :: 1.552 HD3 :: 1.781 HE3 :: 3.080 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 :: 121.413 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 R 0.27 K 0.17 G 0.14 C Shift Assignments>> C :: 177.513 CA :: 52.859 CB :: 33.283 CG :: 27.514 CD :: 43.262 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 :: 6.757 HA :: 4.736 HB2 :: 0.412(S) HB3 :: 1.760 HG2 :: 1.395 HG3 :: 1.237 HD2 :: 3.113 HD3 :: 3.210 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 :: 112.543 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.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.21 C 0.06 V 0.05 I 0.04 T 0.02 L 0.02 C Shift Assignments>> C :: 178.396 CA :: 56.247 CB :: 19.601 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.288 HA :: 3.940 HB1 :: 1.549 HB2 :: 1.549 HB3 :: 1.549 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.011 Ave N Shift Values>> N :: 123.23(3.7) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.575 CA :: 58.700 CB :: 63.555 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.680 HA :: 4.365 HB2 :: 3.903 HB3 :: 4.128 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 :: 107.426 Ave N Shift Values>> N :: 116.3(3.95) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 H 0.28 W 0.08 HN Overlap>> 1.H114 1.H114 C Shift Assignments>> C :: 174.643 CA :: 54.937 CB :: 33.349 CD2 :: 116.435 CE1 :: 138.792 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 :: 7.592 HA :: 4.790 HB2 :: 3.323 HB3 :: 3.203 HD2 :: 6.956 HE1 :: 7.806 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 :: 122.044 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.4 C 0.36 M 0.07 R 0.07 Q 0.05 C Shift Assignments>> C :: 175.201 CA :: 54.130 CB :: 33.127 CG :: 24.771 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 :: 8.682 HA :: 4.834 HB2 :: 1.757 HB3 :: 1.956 HG2 :: 1.582 HG3 :: 1.627 HE3 :: 4.114(S) 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 :: 122.003 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.447 CA :: 62.959 CB :: 32.935 CG :: 26.977 CD :: 50.607 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 :: 4.828 HB2 :: 1.843 HB3 :: 2.220 HG2 :: 1.922 HG3 :: 2.071 HD2 :: 3.642 HD3 :: 4.108 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.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.34 A 0.01 C Shift Assignments>> C :: 175.833 CA :: 58.706 CB :: 71.636 CG2 :: 22.145 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 :: 7.877 HA :: 4.772 HB :: 4.805 HG1 :: 5.341 HG21 :: 1.346 HG22 :: 1.346 HG23 :: 1.346 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 :: 107.444 Ave N Shift Values>> N :: 115.7(5.05) 1.Y101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.4 C Shift Assignments>> C :: 178.201 CA :: 63.704 CB :: 37.789 CD1 :: 133.147 CE1 :: 119.150 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.751 HA :: 4.088 HB2 :: 2.894 HB3 :: 3.121 HD1 :: 7.263 HD2 :: 7.263 HE1 :: 6.898 HE2 :: 6.898 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.022 Ave N Shift Values>> N :: 120.79(4.69) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 C 0.32 E 0.22 K 0.01 C Shift Assignments>> C :: 179.034 CA :: 60.716 CB :: 29.566 CG :: 37.165 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 :: 8.868 HA :: 4.131 HB2 :: 1.942 HB3 :: 2.160 HG3 :: 2.347 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 :: 118.379 Ave N Shift Values>> N :: 120.68(3.68) 1.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.19 N 0.15 F 0.13 E 0.09 D 0.08 I 0.03 L 0.02 M 0.02 HN Overlap>> 1.E75 1.E75 C Shift Assignments>> C :: 178.351 CA :: 55.702 CB :: 38.071 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 :: 7.905 HA :: 4.705 HB2 :: 3.007 HB3 :: 2.354 HD21 :: 6.953 HD22 :: 8.168 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 :: 117.325 ND2 :: 112.355 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.24 L 0.11 K 0.11 C Shift Assignments>> C :: 177.910 CA :: 58.868 CB :: 41.543 CG :: 28.048 CD1 :: 23.740 CD2 :: 27.948 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 :: 8.044 HA :: 4.125 HB2 :: 1.356 HB3 :: 2.119 HG :: 1.655 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 HD21 :: 0.961 HD22 :: 0.961 HD23 :: 0.961 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 :: 121.676 Ave N Shift Values>> N :: 121.98(4.07) 1.Q105 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.31 C 0.31 K 0.11 Q 0.08 R 0.07 I 0.06 E 0.02 C Shift Assignments>> C :: 178.126 CA :: 61.526(A) CB :: 27.715 CG :: 33.367 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 :: 8.800 HA :: 3.732 HB2 :: 2.162 HB3 :: 2.451 HG2 :: 2.110 HG3 :: 2.340 HE21 :: 6.683 HE22 :: 7.479 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 :: 120.428 NE2 :: 111.126 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.34 K 0.21 G 0.03 C Shift Assignments>> C :: 179.964 CA :: 60.703 CB :: 33.429 CG :: 26.494 CD :: 29.853 CE :: 42.514 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 :: 7.829 HA :: 4.045 HB2 :: 1.966 HB3 :: 2.310 HG2 :: 1.817 HG3 :: 1.573 HD3 :: 1.835 HE2 :: 3.024 HE3 :: 3.024 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 :: 117.762 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 176.548 CA :: 63.879 CB :: 63.060 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.265 HA :: 3.736 HB3 :: 3.710 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 :: 118.319 Ave N Shift Values>> N :: 116.3(3.95) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.37 G 0.09 R 0.03 HN Overlap>> 1.V120 1.V120 C Shift Assignments>> C :: 179.129 CA :: 58.793 CB :: 43.224 CG :: 27.064 CD1 :: 23.740 CD2 :: 22.960 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 :: 8.490 HA :: 3.900 HB2 :: 1.148 HB3 :: 2.296 HG :: 0.760 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 HD21 :: 0.761 HD22 :: 0.761 HD23 :: 0.761 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 :: 122.879 Ave N Shift Values>> N :: 121.98(4.07) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.27 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.287 CA :: 59.887 CB :: 29.514 CG :: 36.665 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 :: 8.412 HA :: 3.667 HB2 :: 2.020 HB3 :: 2.229 HG2 :: 2.236 HG3 :: 2.468 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 :: 119.973 Ave N Shift Values>> N :: 120.68(3.68) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.28 I 0.05 C 0.03 C Shift Assignments>> C :: 181.236 CA :: 55.606 CB :: 18.038 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.220 HA :: 4.273 HB1 :: 1.680 HB2 :: 1.680 HB3 :: 1.680 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.335 Ave N Shift Values>> N :: 123.23(3.7) 1.M111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.62 M 0.28 I 0.09 HN Overlap>> 1.L38 1.L38 C Shift Assignments>> C :: 176.848 CA :: 60.171 CB :: 33.414 CG :: 30.214 CE :: 17.314 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 :: 8.507 HA :: 3.756 HB2 :: 2.453 HB3 :: 1.604 HG2 :: 0.883(S) HG3 :: 1.800 HE1 :: 1.794 HE2 :: 1.794 HE3 :: 1.794 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 :: 122.080 Ave N Shift Values>> N :: 120.1(3.88) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.33 R 0.2 M 0.02 G 0.02 C Shift Assignments>> C :: 177.574 CA :: 60.799 CB :: 31.185 CG :: 24.063 CD :: 29.566 CE :: 42.191 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 :: 8.735 HA :: 3.633 HB2 :: 1.083 HB3 :: 1.724 HG2 :: 0.960 HG3 :: 1.065 HD2 :: 1.223 HD3 :: 1.386 HE2 :: 2.701 HE3 :: 2.751 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 :: 121.145 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.F148 1.F148 C Shift Assignments>> C :: 176.677 CA :: 62.016 CB :: 62.738 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.013 HA :: 4.110 HB3 :: 3.982 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 :: 112.107 Ave N Shift Values>> N :: 116.3(3.95) 1.H114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.42 C 0.38 H 0.18 HN Overlap>> 1.H97 1.H97 C Shift Assignments>> C :: 179.272 CA :: 62.260 CB :: 30.984 CD2 :: 118.736 CE1 :: 138.065 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 :: 7.636 HA :: 4.024 HB2 :: 3.198 HB3 :: 3.362 HD2 :: 7.173 HE1 :: 5.767(S) 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 :: 121.990 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 P 0.42 C 0.06 V 0.03 W 0.02 C Shift Assignments>> C :: 178.356 CA :: 64.265 CB :: 28.133 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.277 HA :: 4.143 HB2 :: 3.022 HB3 :: 3.453 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 :: 119.607 Ave N Shift Values>> N :: 119.95(4.79) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.33 R 0.15 G 0.02 C Shift Assignments>> C :: 180.725 CA :: 57.755 CB :: 42.348 CG :: 26.977 CD1 :: 26.329 CD2 :: 23.092 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 :: 8.356 HA :: 4.269 HB2 :: 1.534 HB3 :: 1.928 HG :: 1.924 HD11 :: 0.914 HD12 :: 0.914 HD13 :: 0.914 HD21 :: 1.014 HD22 :: 1.014 HD23 :: 1.014 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 :: 117.346 Ave N Shift Values>> N :: 121.98(4.07) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.37 R 0.21 M 0.01 C Shift Assignments>> C :: 177.654 CA :: 58.747 CB :: 33.584 CG :: 25.391 CD :: 29.566 CE :: 42.077 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 :: 7.666 HA :: 4.157 HB3 :: 1.770 HG2 :: 1.412 HG3 :: 1.514 HD3 :: 1.639 HE3 :: 3.004 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 :: 118.712 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.17 L 0.13 C 0.12 F 0.1 Y 0.09 K 0.05 C Shift Assignments>> C :: 174.638 CA :: 54.214 CB :: 40.342 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 :: 7.632 HA :: 4.880 HB2 :: 2.118 HB3 :: 2.847 HD21 :: 6.303 HD22 :: 6.689 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 :: 113.426 ND2 :: 115.443 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 C 0.25 P 0.05 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 174.559 CA :: 47.585 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.692 HA3 :: 4.046 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.524 Ave N Shift Values>> N :: 109.91(4.29) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 HN Overlap>> 1.L108 1.L108 C Shift Assignments>> C :: 176.259 CA :: 64.135 CB :: 32.858 CG1 :: 22.367 CG2 :: 22.343 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 :: 8.497 HA :: 4.118 HB :: 2.107 HG11 :: 1.312 HG12 :: 1.312 HG13 :: 1.312 HG21 :: 1.412 HG22 :: 1.412 HG23 :: 1.412 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 :: 122.872 Ave N Shift Values>> N :: 121.02(4.96) 1.T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.865 CA :: 62.260 CB :: 70.872 CG2 :: 21.288 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 :: 8.975 HA :: 4.556 HB :: 4.515 HG21 :: 1.133 HG22 :: 1.133 HG23 :: 1.133 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 :: 115.426 Ave N Shift Values>> N :: 115.7(5.05) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.27 R 0.19 C 0.13 D 0.04 F 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 173.004 CA :: 55.002 CB :: 44.372 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 :: 8.119 HA :: 5.548 HB2 :: 2.511 HB3 :: 2.584 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 :: 123.846 Ave N Shift Values>> N :: 120.73(4.2) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 G 0.11 L 0.09 C Shift Assignments>> C :: 176.913 CA :: 53.190 CB :: 48.245 CG :: 27.025 CD1 :: 25.597 CD2 :: 25.597 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 :: 8.684 HA :: 5.247 HB2 :: 1.165 HB3 :: 1.382 HG :: 1.323 HD11 :: 0.609 HD12 :: 0.609 HD13 :: 0.609 HD21 :: 0.758 HD22 :: 0.758 HD23 :: 0.758 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 :: 123.416 Ave N Shift Values>> N :: 121.98(4.07) 1.S124 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.85 S 0.14 C Shift Assignments>> C :: 172.293 CA :: 59.567 CB :: 67.565 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.481 HA :: 6.085(S) HB2 :: 3.803 HB3 :: 3.915 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 :: 122.996 Ave N Shift Values>> N :: 116.3(3.95) 1.M125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.37 A 0.21 I 0.01 HN Overlap>> 1.K71 1.K71 C Shift Assignments>> C :: 173.044 CA :: 54.168 CB :: 35.069 CG :: 30.537 CE :: 16.342 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 :: 9.091 HA :: 5.458 HB2 :: 2.278 HB3 :: 2.417 HG2 :: 2.407 HG3 :: 2.895 HE1 :: 1.721 HE2 :: 1.721 HE3 :: 1.721 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 :: 118.639 Ave N Shift Values>> N :: 120.1(3.88) 1.P126 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> CA :: 62.734 CB :: 32.803 CG :: 26.653 CD :: 49.312 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 :: 5.623(S) HB3 :: 2.387 HG2 :: 2.054 HG3 :: 2.250 HD2 :: 3.904 HD3 :: 4.263 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.R127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.18 C 0.17 Q 0.15 R 0.07 H 0.07 W 0.06 E 0.04 V 0.02 HN Overlap>> 1.N68 1.N68 C Shift Assignments>> CA :: 56.003 CB :: 33.017 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 :: 8.352 HA :: 3.925 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 :: 117.097 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.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> CA :: 63.231 CB :: 40.249 CG1 :: 25.035 CG2 :: 20.203 CD1 :: 15.671 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 :: 7.991 HA :: 4.093 HB :: 1.947 HG12 :: 1.501 HG13 :: 2.146 HG21 :: 1.249 HG22 :: 1.249 HG23 :: 1.249 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 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 :: 123.040 Ave N Shift Values>> N :: 121.6(4.72) 1.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 173.142 CA :: 46.141 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.644 HA2 :: 3.742 HA3 :: 4.247 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.618 Ave N Shift Values>> N :: 109.91(4.29) 1.C130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.13 C 0.13 K 0.11 Q 0.1 I 0.1 H 0.1 R 0.09 M 0.02 V 0.02 C Shift Assignments>> C :: 175.715 CA :: 59.023 CB :: 29.243 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.515 HA :: 4.875 HB2 :: 3.029 HB3 :: 3.221 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 :: 115.329 Ave N Shift Values>> N :: 119.95(4.79) 1.G131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 HN Overlap>> 1.M48 1.M48 C Shift Assignments>> CA :: 46.023 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.920 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.785 Ave N Shift Values>> N :: 109.91(4.29) 1.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.38 R 0.36 G 0.18 L 0.06 C Shift Assignments>> C :: 175.707 CA :: 56.110 CB :: 43.809 CG :: 27.624 CD1 :: 27.948 CD2 :: 27.948 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 :: 7.403 HA :: 3.915 HB2 :: 2.451 HB3 :: 2.692 HG :: 1.357 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 HD21 :: 0.054 HD22 :: 0.054 HD23 :: 0.054 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) 1.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.21 D 0.13 R 0.11 C 0.1 F 0.1 Y 0.08 N 0.01 C Shift Assignments>> C :: 176.939 CA :: 56.104 CB :: 41.867 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 :: 7.926 HA :: 4.195 HB3 :: 2.632 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 :: 117.900 Ave N Shift Values>> N :: 120.73(4.2) 1.R134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.36 G 0.13 L 0.08 K 0.03 C Shift Assignments>> C :: 176.130 CA :: 58.022 CB :: 28.595 CG :: 27.581 CD :: 43.768 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 :: 7.600 HA :: 4.035 HB2 :: 1.949 HB3 :: 2.202 HG3 :: 1.729 HD2 :: 3.228 HD3 :: 3.301 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 :: 108.804 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.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 C 0.45 L 0.05 C Shift Assignments>> C :: 175.689 CA :: 55.123 CB :: 40.294 CG :: 26.329 CD1 :: 19.879 CD2 :: 25.682 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 :: 8.412 HA :: 4.570 HB2 :: 1.234 HB3 :: 1.707 HG :: 1.600 HD11 :: 0.168 HD12 :: 0.168 HD13 :: 0.168 HD21 :: 0.468 HD22 :: 0.468 HD23 :: 0.468 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 :: 118.962 Ave N Shift Values>> N :: 121.98(4.07) 1.Q136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.21 M 0.2 E 0.18 K 0.12 C Shift Assignments>> C :: 177.920 CA :: 55.161 CB :: 30.590 CG :: 34.569 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 :: 7.783 HA :: 4.837 HB2 :: 2.219 HB3 :: 2.386 HG3 :: 2.587 HE21 :: 6.963 HE22 :: 7.703 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 :: 116.769 NE2 :: 113.143 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 C 0.39 H 0.02 C Shift Assignments>> C :: 177.223 CA :: 60.477 CB :: 30.349 CD1 :: 127.762 CE3 :: 122.727 CZ2 :: 114.585 CZ3 :: 122.727 CH2 :: 124.540 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 :: 9.752 HA :: 4.589 HB2 :: 3.227 HB3 :: 3.762 HD1 :: 7.231 HE1 :: 10.420 HE3 :: 8.028 HZ2 :: 7.655 HZ3 :: 7.384 HH2 :: 7.006 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 :: 129.066 NE1 :: 128.292 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.3 E 0.18 K 0.01 C Shift Assignments>> C :: 178.053 CA :: 61.124 CB :: 29.078 CG :: 37.071 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 :: 9.948 HA :: 3.820 HB3 :: 1.973 HG2 :: 2.352 HG3 :: 2.402 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 :: 119.699 Ave N Shift Values>> N :: 120.68(3.68) 1.N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 C 0.19 F 0.17 D 0.15 N 0.13 L 0.06 I 0.03 E 0.02 C Shift Assignments>> C :: 177.455 CA :: 55.755 CB :: 39.068 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 :: 7.173 HA :: 4.481 HB2 :: 2.445 HB3 :: 3.005 HD21 :: 6.789 HD22 :: 6.892 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 :: 115.196 ND2 :: 110.788 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.355 CA :: 67.644 CB :: 32.114 CG1 :: 23.416 CG2 :: 22.279 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 :: 8.039 HA :: 3.533 HB :: 1.749 HG11 :: 1.130 HG12 :: 1.130 HG13 :: 1.130 HG21 :: 0.967 HG22 :: 0.967 HG23 :: 0.967 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 :: 122.597 Ave N Shift Values>> N :: 121.02(4.96) 1.S141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.147 CA :: 61.850 CB :: 61.613 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.567 HA :: 3.172 HB2 :: 3.418 HB3 :: 2.801(S) 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 :: 115.191 Ave N Shift Values>> N :: 116.3(3.95) 1.A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.32 I 0.04 C 0.03 C Shift Assignments>> C :: 180.096 CA :: 55.298 CB :: 17.958 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.539 HA :: 4.099 HB1 :: 1.427 HB2 :: 1.427 HB3 :: 1.427 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.741 Ave N Shift Values>> N :: 123.23(3.7) 1.M143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.35 I 0.09 C Shift Assignments>> C :: 178.188 CA :: 59.291 CB :: 34.284 CG :: 30.806 CE :: 17.314 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 :: 7.468 HA :: 4.139 HB3 :: 2.272 HG2 :: 2.261 HG3 :: 2.596 HE1 :: 2.260 HE2 :: 2.260 HE3 :: 2.260 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 :: 119.522 Ave N Shift Values>> N :: 120.1(3.88) 1.I144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.07 HN Overlap>> 1.E18 1.E18 C Shift Assignments>> C :: 178.074 CA :: 67.017 CB :: 38.475 CG1 :: 30.861 CG2 :: 18.584 CD1 :: 15.347 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 :: 8.560 HA :: 3.492 HB :: 1.911 HG12 :: 0.728 HG13 :: 1.914 HG21 :: 0.757 HG22 :: 0.757 HG23 :: 0.757 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 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 :: 120.319 Ave N Shift Values>> N :: 121.6(4.72) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.32 E 0.27 K 0.04 M 0.01 C Shift Assignments>> C :: 179.051 CA :: 60.429 CB :: 29.385 CG :: 36.619 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 :: 8.123 HA :: 3.906 HB3 :: 2.122 HG2 :: 2.263 HG3 :: 2.520 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 :: 117.238 Ave N Shift Values>> N :: 120.68(3.68) 1.E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.34 I 0.2 K 0.04 M 0.04 Q 0.01 C Shift Assignments>> C :: 179.635 CA :: 59.827 CB :: 30.245 CG :: 36.387 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 :: 7.870 HA :: 4.109 HB3 :: 2.152 HG2 :: 2.157 HG3 :: 2.356 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 :: 118.636 Ave N Shift Values>> N :: 120.68(3.68) 1.V147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.761 CA :: 66.445 CB :: 32.373 CG1 :: 21.821 CG2 :: 23.595 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 :: 8.803 HA :: 3.602 HB :: 1.936 HG11 :: 0.120 HG12 :: 0.120 HG13 :: 0.120 HG21 :: 1.088 HG22 :: 1.088 HG23 :: 1.088 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 :: 120.034 Ave N Shift Values>> N :: 121.02(4.96) 1.F148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.35 C 0.27 HN Overlap>> 1.S113 1.S113 C Shift Assignments>> C :: 177.477 CA :: 59.994 CB :: 38.306 CD1 :: 132.417 CE1 :: 129.812 CZ :: 128.898 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 :: 8.020 HA :: 4.229 HB2 :: 2.682 HB3 :: 3.194 HD1 :: 7.637 HD2 :: 7.637 HE1 :: 6.956 HE2 :: 6.956 HZ :: 6.838 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 :: 112.054 Ave N Shift Values>> N :: 120.69(4.18) 1.E149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.16 K 0.07 M 0.03 Q 0.03 C Shift Assignments>> C :: 176.200 CA :: 59.246 CB :: 29.756 CG :: 36.158 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 :: 7.292 HA :: 4.198 HB2 :: 2.080 HB3 :: 2.463 HG3 :: 2.400 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 :: 124.068 Ave N Shift Values>> N :: 120.68(3.68) 1.A150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.37 C 0.01 I 0.01 C Shift Assignments>> C :: 177.045 CA :: 53.466 CB :: 17.665 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.867 HA :: 4.327 HB1 :: 1.510 HB2 :: 1.510 HB3 :: 1.510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.968 Ave N Shift Values>> N :: 123.23(3.7) 1.T151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 C 0.33 C Shift Assignments>> C :: 174.504 CA :: 60.965 CB :: 72.952 CG2 :: 22.145 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 :: 7.805 HA :: 4.896 HB :: 4.467 HG1 :: 5.581 HG21 :: 1.257 HG22 :: 1.257 HG23 :: 1.257 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 :: 107.737 Ave N Shift Values>> N :: 115.7(5.05) 1.D152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.19 K 0.11 C 0.1 N 0.1 F 0.07 Y 0.06 R 0.03 C Shift Assignments>> C :: 175.447 CA :: 53.999 CB :: 41.181 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 :: 9.001 HA :: 5.004 HB2 :: 2.676 HB3 :: 2.942 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 :: 120.727 Ave N Shift Values>> N :: 120.73(4.2) 1.I153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 175.525 CA :: 62.683 CB :: 38.726 CG1 :: 29.663 CG2 :: 17.147 CD1 :: 14.376 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 :: 7.444 HA :: 4.199 HB :: 1.806 HG12 :: 1.343 HG13 :: 1.773 HG21 :: 0.458 HG22 :: 0.458 HG23 :: 0.458 HD11 :: 1.112 HD12 :: 1.112 HD13 :: 1.112 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 :: 120.620 Ave N Shift Values>> N :: 121.6(4.72) 1.K154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.21 G 0.01 M 0.01 C Shift Assignments>> C :: 174.986 CA :: 55.870 CB :: 34.100 CG :: 25.141 CD :: 28.964 CE :: 42.492 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 :: 8.594 HA :: 4.500 HB2 :: 1.907 HB3 :: 1.967 HG2 :: 1.516 HG3 :: 1.419 HD3 :: 1.705 HE3 :: 3.023 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 :: 129.176 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.401 CA :: 60.428 CB :: 40.872 CG1 :: 28.595 CG2 :: 18.908 CD1 :: 13.405 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 :: 7.910 HA :: 4.967 HB :: 1.533 HG12 :: 0.612 HG13 :: 1.024 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 HD11 :: -0.093 HD12 :: -0.093 HD13 :: -0.093 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 :: 122.841 Ave N Shift Values>> N :: 121.6(4.72) 1.T156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 173.292 CA :: 61.911 CB :: 69.707 CG2 :: 23.084 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 :: 9.116 HA :: 5.004 HB :: 4.392 HG21 :: 0.690 HG22 :: 0.690 HG23 :: 0.690 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 :: 126.724 Ave N Shift Values>> N :: 115.7(5.05) 1.V157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.41 C Shift Assignments>> C :: 175.742 CA :: 60.462 CB :: 32.840 CG1 :: 22.469 CG2 :: 21.048 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 :: 8.848 HA :: 5.067 HB :: 1.527 HG11 :: 0.836 HG12 :: 0.836 HG13 :: 0.836 HG21 :: 0.478 HG22 :: 0.478 HG23 :: 0.478 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 :: 127.879 Ave N Shift Values>> N :: 121.02(4.96) 1.Y158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 177.439 CA :: 57.328 CB :: 40.572 CD1 :: 132.706 CE1 :: 118.229 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.935 HA :: 5.300 HB2 :: 2.537 HB3 :: 2.794 HD1 :: 6.705 HD2 :: 6.705 HE1 :: 6.725 HE2 :: 6.725 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 129.349 Ave N Shift Values>> N :: 120.79(4.69) 1.T159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 172.976 CA :: 61.830 CB :: 71.359 CG2 :: 21.023 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 :: 8.640 HA :: 4.471 HB :: 4.143 HG21 :: 1.176 HG22 :: 1.176 HG23 :: 1.176 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 :: 116.828 Ave N Shift Values>> N :: 115.7(5.05) 1.L160 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.19 K 0.16 R 0.16 G 0.09 I 0.01 C Shift Assignments>> C :: 169.633(S) CA :: 57.745 CB :: 43.486 CD2 :: 24.387 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 :: 8.014 HA :: 4.254 HB2 :: 1.615 HB3 :: 1.615 HD21 :: 0.920 HD22 :: 0.920 HD23 :: 0.920 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 :: 129.643 Ave N Shift Values>> N :: 121.98(4.07) ########################################################################### Overall Results: #Consistent: 145 #Clerical: 0 #Suspicious: 13 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 156 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 160 #Suspicious: 0 C Shift Results: #Consistent: 659 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 2 H Shift Results: #Consistent:1022 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 0 N Shift Results: #Consistent: 164 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V25 HB = 0.806(S), Expected = 1.99, Std = 0.3300, ChiSquare = 3.3338e-04 1.L29 HA = 2.467(S), Expected = 4.32, Std = 0.4700, ChiSquare = 8.0619e-05 1.L38 CB = 48.860(S), Expected = 42.37, Std = 1.8600, ChiSquare = 4.8438e-04 1.L38 HA = 6.012(S), Expected = 4.32, Std = 0.4700, ChiSquare = 3.1822e-04 1.A39 HA = 5.866(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.3141e-04 1.K59 HB2 = 0.459(S), Expected = 1.79, Std = 0.2500, ChiSquare = 1.0151e-07 1.K59 HB3 = 0.775(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.1091e-04 1.K59 HD2 = 0.520(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.3006e-05 1.K59 HD3 = 0.730(S), Expected = 1.61, Std = 0.2500, ChiSquare = 4.3155e-04 1.K59 HE2 = 2.155(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.0662e-04 1.K59 HE3 = 2.255(S), Expected = 2.93, Std = 0.2000, ChiSquare = 7.3816e-04 1.E65 C = 60.016(A), Expected = 176.93, Std = 2.1100, ChiSquare = 0.0000e+00 1.R94 HB2 = 0.412(S), Expected = 1.79, Std = 0.2800, ChiSquare = 8.5915e-07 1.K98 HE3 = 4.114(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.2194e-09 1.Q105 CA = 61.526(A), Expected = 56.62, Std = 2.1900, ChiSquare = 2.5079e-02 1.M111 HG2 = 0.883(S), Expected = 2.44, Std = 0.3600, ChiSquare = 1.5253e-05 1.H114 HE1 = 5.767(S), Expected = 8.08, Std = 0.5700, ChiSquare = 4.9517e-05 1.S124 HA = 6.085(S), Expected = 4.51, Std = 0.4300, ChiSquare = 2.4948e-04 1.P126 HA = 5.623(S), Expected = 4.41, Std = 0.3600, ChiSquare = 7.5320e-04 1.S141 HB3 = 2.801(S), Expected = 3.87, Std = 0.3100, ChiSquare = 5.6395e-04 1.L160 C = 169.633(S), Expected = 176.97, Std = 2.0900, ChiSquare = 4.4722e-04