Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.41 M 0.31 A 0.25 V 0.01 C Shift Assignments>> CE :: 17.802 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HE1 :: 1.931 HE2 :: 1.931 HE3 :: 1.931 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 172.250 CA :: 61.294 CB :: 33.708 CG1 :: 19.855 CG2 :: 20.422 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> HA :: 3.787 HB :: 2.153 HG11 :: 0.939 HG12 :: 0.939 HG13 :: 0.939 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.C3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.23 C 0.07 L 0.06 F 0.04 Y 0.04 HN Overlap>> 1.F16 1.F16 C Shift Assignments>> C :: 171.993 CA :: 52.044 CB :: 39.461 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.628 HA :: 5.205 HB2 :: 2.932 HB3 :: 2.703 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.988 Ave N Shift Values>> N :: 120.17(4.64) 1.P4 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.9 L 0.03 C 0.03 R 0.01 C Shift Assignments>> CG :: 27.122 CD :: 50.111 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HG2 :: 0.394(S) HG3 :: 1.172 HD2 :: 3.456 HD3 :: 2.481 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 176.622 CA :: 63.300 CB :: 38.044 CG1 :: 28.542 CG2 :: 17.233 CD1 :: 13.077 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> HA :: 3.823 HB :: 1.749 HG12 :: 1.567 HG13 :: 1.273 HG21 :: 0.941 HG22 :: 0.941 HG23 :: 0.941 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.D6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.606 HA :: 4.344 HB2 :: 2.905 HB3 :: 2.905 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.894 Ave N Shift Values>> N :: 120.65(3.86) 1.W7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 W 0.46 HN Overlap>> 1.F140 1.F140 1.Y139 1.Y139 C Shift Assignments>> C :: 176.415 CA :: 58.038 CB :: 28.771 CD1 :: 128.418 CE3 :: 119.988 CZ2 :: 115.571 CZ3 :: 121.438 CH2 :: 122.575 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.208 HA :: 4.690 HB2 :: 3.090 HB3 :: 3.155 HD1 :: 7.122 HE1 :: 9.701 HE3 :: 7.023 HZ2 :: 7.558 HZ3 :: 6.537 HH2 :: 6.552 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.564 NE1 :: 132.289 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.41 C 0.31 R 0.25 G 0.01 C Shift Assignments>> C :: 176.146 CA :: 53.941 CB :: 31.563 CG :: 25.733 CD :: 42.154 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.456 HA :: 4.686 HB2 :: 1.796 HB3 :: 1.798 HG2 :: 0.621(S) HG3 :: 1.445 HD2 :: 2.533 HD3 :: 2.223(S) HE :: 6.841 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.872 NE :: 85.412 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 A 0.33 C 0.12 K 0.03 C Shift Assignments>> C :: 176.927 CA :: 52.010 CB :: 22.663 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.819 HA :: 5.391 HB1 :: 1.482 HB2 :: 1.482 HB3 :: 1.482 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.265 Ave N Shift Values>> N :: 123.23(3.54) 1.F10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.72 C 0.27 HN Overlap>> 1.F140 1.F140 C Shift Assignments>> C :: 174.606 CA :: 58.526 CB :: 40.861 CD1 :: 132.059 CD2 :: 132.059 CE1 :: 130.719 CE2 :: 130.719 CZ :: 129.724 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.202 HA :: 4.194 HB2 :: 2.167 HB3 :: 1.234(S) HD1 :: 6.923 HD2 :: 6.923 HE1 :: 7.068 HE2 :: 7.068 HZ :: 6.998 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.450 Ave N Shift Values>> N :: 120.45(4.18) 1.Q11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.38 K 0.32 R 0.13 Q 0.13 C Shift Assignments>> C :: 175.859 CA :: 57.252 CB :: 25.962 CG :: 33.417 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.872 HA :: 3.461 HB2 :: 1.825 HB3 :: 1.558 HG2 :: 1.480 HG3 :: 0.845(S) HE21 :: 6.973 HE22 :: 6.578 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.391 NE2 :: 110.595 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 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 :: 173.339 CA :: 59.795 CB :: 62.943 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.189 HA :: 4.252 HB2 :: 4.089 HB3 :: 3.935 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.087 Ave N Shift Values>> N :: 116.28(3.52) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 G 0.19 R 0.18 D 0.17 C 0.04 F 0.02 K 0.02 N 0.01 Y 0.01 C Shift Assignments>> C :: 174.330 CA :: 52.342 CB :: 43.458 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.242 HA :: 5.256 HB2 :: 3.059 HB3 :: 2.096 HD21 :: 7.470 HD22 :: 7.055 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.336 ND2 :: 115.647 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 G 0.24 R 0.19 D 0.1 C 0.04 F 0.02 Y 0.01 HN Overlap>> 1.D115 1.D115 C Shift Assignments>> C :: 174.314 CA :: 53.685 CB :: 44.019 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.592 HA :: 5.861 HB2 :: 2.978 HB3 :: 2.920 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.315 Ave N Shift Values>> N :: 120.17(4.64) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 Y 0.22 C 0.14 C Shift Assignments>> C :: 176.333 CA :: 57.616 CB :: 44.583 CD1 :: 133.624 CD2 :: 133.624 CE1 :: 118.468 CE2 :: 118.468 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.947 HA :: 5.777 HB2 :: 2.897 HB3 :: 2.761 HD1 :: 7.378 HD2 :: 7.378 HE1 :: 7.009 HE2 :: 7.009 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.588 Ave N Shift Values>> N :: 120.52(4.2) 1.F16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.72 C 0.27 HN Overlap>> 1.C3 1.C3 C Shift Assignments>> C :: 172.937 CA :: 53.398 CB :: 40.070 CD1 :: 130.271 CD2 :: 130.271 CE1 :: 131.076 CE2 :: 131.076 CZ :: 129.025 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.717 HA :: 4.911 HB2 :: 1.620(S) HB3 :: 0.495(S) HD1 :: 6.323 HD2 :: 6.323 HE1 :: 7.079 HE2 :: 7.079 HZ :: 7.156 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.989 Ave N Shift Values>> N :: 120.45(4.18) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> C :: 175.445 CA :: 61.488 CB :: 31.991 CG :: 27.576 CD :: 50.696 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.116 HB2 :: 2.008 HB3 :: 1.812 HG2 :: 2.069 HG3 :: 1.482 HD2 :: 3.706 HD3 :: 3.295 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.26 L 0.19 R 0.01 C Shift Assignments>> C :: 177.391 CA :: 55.360 CB :: 45.482 CG :: 26.892 CD1 :: 27.331 CD2 :: 24.643 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.054 HA :: 4.681 HB2 :: 1.510 HB3 :: 1.413 HG :: 1.032 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 HD21 :: 0.593 HD22 :: 0.593 HD23 :: 0.593 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.062 Ave N Shift Values>> N :: 121.86(3.9) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 175.613 CA :: 62.236 CB :: 69.530 CG2 :: 22.056 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.303 HA :: 4.612 HB :: 4.367 HG21 :: 1.202 HG22 :: 1.202 HG23 :: 1.202 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.256 Ave N Shift Values>> N :: 115.42(4.75) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.31 L 0.12 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 174.684 CA :: 53.118 CB :: 40.069 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.834 HA :: 4.457 HB2 :: 2.614 HB3 :: 2.580 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.645 Ave N Shift Values>> N :: 120.65(3.86) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.25 F 0.08 L 0.08 C 0.07 Y 0.07 C Shift Assignments>> C :: 176.542 CA :: 53.452 CB :: 39.453 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.113 HA :: 4.646 HB2 :: 2.332 HB3 :: 2.575 HD21 :: 6.641 HD22 :: 7.147 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.648 ND2 :: 109.817 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.44 G 0.01 C Shift Assignments>> C :: 176.711 CA :: 55.665 CB :: 39.539(S) CG :: 26.575 CD :: 30.185 CE :: 42.295 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.794 HA :: 4.856 HB2 :: 2.018 HB3 :: 1.959 HG2 :: 1.580 HG3 :: 1.383 HD2 :: 1.456 HD3 :: 1.204 HE2 :: 3.057 HE3 :: 2.907 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.470 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 178.411 CA :: 61.773 CB :: 71.820 CG2 :: 22.394 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.250 HA :: 5.647 HB :: 4.928 HG21 :: 1.455 HG22 :: 1.455 HG23 :: 1.455 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.009 Ave N Shift Values>> N :: 115.42(4.75) 1.W24 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 178.204 CA :: 64.581 CB :: 30.654 CD1 :: 127.070 CE3 :: 120.465 CZ2 :: 113.220 CZ3 :: 120.380 CH2 :: 124.353 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.279 HA :: 3.030 HB2 :: 3.159 HB3 :: 2.403 HD1 :: 6.898 HE1 :: 10.116 HE3 :: 7.175 HZ2 :: 7.118 HZ3 :: 7.121 HH2 :: 7.093 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 126.345 NE1 :: 129.070 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HA > HB2 : 0.9942) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.27 I 0.07 C 0.03 C Shift Assignments>> C :: 182.089 CA :: 55.890 CB :: 18.255 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.634 HA :: 3.948 HB1 :: 1.597 HB2 :: 1.597 HB3 :: 1.597 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.965 Ave N Shift Values>> N :: 123.23(3.54) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.39 I 0.07 M 0.06 K 0.02 Q 0.01 C Shift Assignments>> C :: 179.756 CA :: 58.295 CB :: 30.483 CG :: 36.873 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.392 HA :: 4.063 HB2 :: 2.211 HB3 :: 2.048 HG2 :: 2.470 HG3 :: 2.247 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.492 Ave N Shift Values>> N :: 120.67(3.48) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.299 CA :: 63.344 CB :: 62.329 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.596 HA :: 3.855 HB2 :: 4.384 HB3 :: 3.637 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.197 Ave N Shift Values>> N :: 116.28(3.52) 1.E28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 Q 0.23 R 0.11 K 0.11 E 0.04 I 0.03 C Shift Assignments>> C :: 178.856 CA :: 58.199 CB :: 26.900 CG :: 34.168 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.133 HA :: 4.268 HB2 :: 1.171(S) HB3 :: 1.171(S) HG2 :: 2.222 HG3 :: 2.222 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.173 Ave N Shift Values>> N :: 120.67(3.48) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.4 K 0.08 G 0.04 C Shift Assignments>> C :: 179.339 CA :: 59.691 CB :: 30.235 CG :: 27.902 CD :: 43.088 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.962 HA :: 4.043 HB2 :: 1.867 HB3 :: 1.867 HG2 :: 1.760 HG3 :: 1.595 HD2 :: 3.235 HD3 :: 3.235 HE :: 7.554 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.498 NE :: 84.277 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 C 0.11 L 0.11 D 0.09 I 0.06 K 0.05 N 0.01 C Shift Assignments>> C :: 178.153 CA :: 57.650 CB :: 40.436 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.960 HA :: 4.447 HB2 :: 2.861 HB3 :: 2.674 HD21 :: 7.942 HD22 :: 7.185 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.000 ND2 :: 112.360 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 M 0.2 Q 0.18 K 0.14 E 0.12 H 0.02 R 0.02 Y 0.02 W 0.01 V 0.01 C Shift Assignments>> C :: 178.072 CA :: 56.410 CB :: 34.709 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.477 HA :: 4.481 HB2 :: 2.628 HB3 :: 2.508 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.301 Ave N Shift Values>> N :: 120.17(4.64) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.062 CA :: 61.663 CB :: 62.655 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.206 HA :: 4.700 HB2 :: 4.039 HB3 :: 3.949 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.834 Ave N Shift Values>> N :: 116.28(3.52) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 HN Overlap>> 1.H37 1.H37 C Shift Assignments>> C :: 174.861 CA :: 46.667 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.053 HA2 :: 4.071 HA3 :: 4.071 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.632 Ave N Shift Values>> N :: 109.67(3.87) 1.M34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 A 0.29 C 0.28 C Shift Assignments>> C :: 175.356 CA :: 54.887 CB :: 33.959 CG :: 32.284 CE :: 18.212 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.441 HA :: 4.596 HB2 :: 2.362 HB3 :: 2.274 HG2 :: 2.709 HG3 :: 2.614 HE1 :: 2.155 HE2 :: 2.155 HE3 :: 2.155 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.998 Ave N Shift Values>> N :: 120.09(3.57) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.112 CA :: 45.401 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.807 HA2 :: 3.957 HA3 :: 3.675 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.474 Ave N Shift Values>> N :: 109.67(3.87) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.55 L 0.2 C 0.14 K 0.04 A 0.01 G 0.01 C Shift Assignments>> C :: 174.285 CA :: 49.721 CB :: 24.662 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.693 HA :: 4.702 HB1 :: 1.517 HB2 :: 1.517 HB3 :: 1.517 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.833 Ave N Shift Values>> N :: 123.23(3.54) 1.H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 H 0.24 W 0.13 Y 0.02 HN Overlap>> 1.G33 1.G33 C Shift Assignments>> C :: 175.351 CA :: 54.573 CB :: 34.971 CD2 :: 119.955 CE1 :: 137.224 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.078 HA :: 5.131 HB2 :: 3.423 HB3 :: 3.185 HD2 :: 7.417 HE1 :: 8.433 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 111.683 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.29 R 0.13 G 0.1 C Shift Assignments>> C :: 179.180 CA :: 56.366 CB :: 43.656 CG :: 26.954 CD1 :: 26.149 CD2 :: 25.173 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.964 HA :: 4.773 HB2 :: 1.693 HB3 :: 1.123 HG :: 1.472 HD11 :: 0.071 HD12 :: 0.071 HD13 :: 0.071 HD21 :: 0.815 HD22 :: 0.815 HD23 :: 0.815 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.260 Ave N Shift Values>> N :: 121.86(3.9) 1.M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 M 0.18 A 0.01 HN Overlap>> 1.L58 1.L58 1.R74 1.R74 C Shift Assignments>> C :: 174.874 CA :: 58.789 CB :: 34.405 CG :: 33.481 CE :: 19.542 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.409 HA :: 3.855 HB2 :: 1.800 HB3 :: 1.800 HG2 :: 2.540 HG3 :: 2.498 HE1 :: 1.941 HE2 :: 1.941 HE3 :: 1.941 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.511 Ave N Shift Values>> N :: 120.09(3.57) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.16 C Shift Assignments>> C :: 172.936 CA :: 59.869 CB :: 70.587 CG2 :: 21.239 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.822 HA :: 4.013 HB :: 3.451 HG21 :: 0.412 HG22 :: 0.412 HG23 :: 0.412 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.771 Ave N Shift Values>> N :: 115.42(4.75) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.55 C 0.44 C Shift Assignments>> C :: 174.349 CA :: 59.757 CB :: 38.571 CG1 :: 28.552 CG2 :: 18.755 CD1 :: 13.471 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> HA :: 4.249 HB :: 2.258 HG12 :: 1.746 HG13 :: 1.132 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 HD11 :: 1.048 HD12 :: 1.048 HD13 :: 1.048 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.502 CA :: 59.768 CB :: 64.720 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.230 HA :: 4.647 HB2 :: 3.924 HB3 :: 3.882 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.113 Ave N Shift Values>> N :: 116.28(3.52) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 T 0.34 C Shift Assignments>> C :: 173.812 CA :: 59.249 CB :: 73.128 CG2 :: 22.132 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.559 HA :: 4.807 HB :: 4.593 HG21 :: 1.284 HG22 :: 1.284 HG23 :: 1.284 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.516 Ave N Shift Values>> N :: 115.42(4.75) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 I 0.15 K 0.07 Q 0.03 M 0.01 HN Overlap>> 1.V105 1.V105 C Shift Assignments>> C :: 178.262 CA :: 59.329 CB :: 29.442 CG :: 36.234 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.377 HA :: 3.449 HB2 :: 2.080 HB3 :: 1.973 HG2 :: 2.182 HG3 :: 1.916 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.057 Ave N Shift Values>> N :: 120.67(3.48) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 180.096 CA :: 55.180 CB :: 18.267 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.328 HA :: 4.050 HB1 :: 1.599 HB2 :: 1.599 HB3 :: 1.599 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.910 Ave N Shift Values>> N :: 123.23(3.54) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.37 I 0.09 M 0.05 K 0.02 Q 0.02 C Shift Assignments>> C :: 177.452 CA :: 59.284 CB :: 30.513 CG :: 36.410 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.852 HA :: 3.612 HB2 :: 2.239 HB3 :: 2.239 HG2 :: 2.322 HG3 :: 2.322 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.861 Ave N Shift Values>> N :: 120.67(3.48) 1.Q47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> C 0.4 E 0.33 I 0.12 K 0.06 Q 0.04 M 0.03 C Shift Assignments>> C :: 176.429 CA :: 59.908 CB :: 29.976 CG :: 35.918 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.054 HA :: 3.687 HB2 :: 1.854 HB3 :: 1.933 HG2 :: 1.615 HG3 :: 2.101 HE21 :: 4.836(S) HE22 :: 7.156 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.473 NE2 :: 105.038(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 C 0.19 Y 0.15 E 0.11 F 0.11 D 0.05 M 0.05 I 0.01 L 0.01 C Shift Assignments>> C :: 176.986 CA :: 55.029 CB :: 37.558 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.416 HA :: 4.213 HB2 :: 2.647 HB3 :: 2.646 HD21 :: 7.503 HD22 :: 6.904 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.182 ND2 :: 110.914 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.35 C 0.24 C Shift Assignments>> C :: 177.254 CA :: 60.162 CB :: 38.083 CD1 :: 132.302 CD2 :: 132.302 CE1 :: 131.129 CE2 :: 131.129 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.473 HA :: 3.979 HB2 :: 2.234 HB3 :: 2.014 HD1 :: 6.648 HD2 :: 6.648 HE1 :: 7.104 HE2 :: 7.104 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.413 Ave N Shift Values>> N :: 120.45(4.18) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.38 C Shift Assignments>> C :: 176.891 CA :: 59.652 CB :: 39.209 CG1 :: 29.917 CG2 :: 19.177 CD1 :: 14.369 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.020 HA :: 3.541 HB :: 1.303 HG12 :: 1.238 HG13 :: 1.113 HG21 :: 0.722 HG22 :: 0.722 HG23 :: 0.722 HD11 :: 0.700 HD12 :: 0.700 HD13 :: 0.700 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.601 Ave N Shift Values>> N :: 121.46(4.28) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.092 CA :: 64.204 CB :: 36.920 CG2 :: 17.437 CD1 :: 14.451 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.216 HA :: 2.893 HB :: 1.053 HG21 :: 0.328 HG22 :: 0.328 HG23 :: 0.328 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.824 Ave N Shift Values>> N :: 121.46(4.28) 1.Q52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.28 Q 0.27 C 0.27 R 0.06 M 0.05 E 0.03 C Shift Assignments>> C :: 176.442 CA :: 57.270 CB :: 29.020 CG :: 33.375 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 6.416 HA :: 3.770 HB2 :: 1.233 HB3 :: 1.031(S) HG2 :: 1.640 HG3 :: 1.365 HE21 :: 7.236 HE22 :: 6.856 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.767 NE2 :: 112.788 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 174.993 CA :: 56.895 CB :: 39.533 CD1 :: 131.354 CD2 :: 131.354 CE1 :: 132.231 CE2 :: 132.231 CZ :: 129.575 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.216 HA :: 4.577 HB2 :: 3.398 HB3 :: 2.223 HD1 :: 6.893 HD2 :: 6.893 HE1 :: 6.626 HE2 :: 6.626 HZ :: 7.058 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.400 Ave N Shift Values>> N :: 120.45(4.18) 1.L54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.85 C 0.13 C Shift Assignments>> C :: 175.467 CA :: 53.571 CB :: 41.707 CG :: 24.337 CD1 :: 19.020(S) CD2 :: 24.559 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.668 HA :: 4.091 HB2 :: 0.963 HB3 :: 0.961 HG :: 1.308 HD11 :: -0.566(S) HD12 :: -0.566(S) HD13 :: -0.566(S) HD21 :: -0.599(S) HD22 :: -0.599(S) HD23 :: -0.599(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.096 Ave N Shift Values>> N :: 121.86(3.9) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.25 R 0.15 K 0.08 C 0.04 F 0.04 N 0.03 G 0.02 Y 0.02 C Shift Assignments>> C :: 177.896 CA :: 53.098 CB :: 42.662 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.687 HA :: 4.815 HB2 :: 3.218 HB3 :: 2.598 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.723 Ave N Shift Values>> N :: 120.65(3.86) 1.R56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 R 0.42 G 0.08 K 0.04 C Shift Assignments>> C :: 178.201 CA :: 58.958 CB :: 30.578 CG :: 27.567 CD :: 43.505 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.758 HA :: 4.310 HB2 :: 1.420 HB3 :: 1.420 HG2 :: 1.662 HG3 :: 0.788 HD2 :: 2.403 HD3 :: 2.102(S) HE :: 6.649 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.370 NE :: 84.577 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.42 G 0.09 K 0.03 C Shift Assignments>> C :: 177.064 CA :: 57.532 CB :: 30.692 CG :: 27.246 CD :: 43.686 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.150 HA :: 4.294 HB2 :: 1.756 HB3 :: 1.980 HG2 :: 1.697 HG3 :: 1.697 HD2 :: 3.303 HD3 :: 3.206 HE :: 7.804 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.411 NE :: 84.784 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.21 A 0.14 G 0.07 R 0.06 HN Overlap>> 1.M39 1.M39 C Shift Assignments>> C :: 176.450 CA :: 54.279 CB :: 43.258 CG :: 27.324 CD1 :: 25.126 CD2 :: 21.955 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.328 HA :: 4.704 HB2 :: 2.045 HB3 :: 1.047 HG :: 1.456 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 HD21 :: 0.781 HD22 :: 0.781 HD23 :: 0.781 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.445 Ave N Shift Values>> N :: 121.86(3.9) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.263 CA :: 57.199 CB :: 65.064 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.470 HA :: 5.505 HB2 :: 3.850 HB3 :: 3.584 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.536 Ave N Shift Values>> N :: 116.28(3.52) 1.Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 Y 0.04 G 0.01 C Shift Assignments>> C :: 175.560 CA :: 56.472 CB :: 41.507 CD1 :: 134.402 CD2 :: 133.676 CE1 :: 121.732 CE2 :: 117.457 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.897 HA :: 4.277 HB2 :: 2.441 HB3 :: 2.856 HD1 :: 7.309 HD2 :: 6.771 HE1 :: 7.414 HE2 :: 6.445 HH :: 9.696 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.274 Ave N Shift Values>> N :: 120.52(4.2) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.36 C 0.15 C Shift Assignments>> C :: 175.433 CA :: 61.075 CB :: 40.869 CD1 :: 131.502 CD2 :: 131.502 CE1 :: 131.846 CE2 :: 131.846 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.521 HA :: 5.288 HB2 :: 3.505 HB3 :: 3.067 HD1 :: 7.198 HD2 :: 7.198 HE1 :: 7.910 HE2 :: 7.910 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.635 Ave N Shift Values>> N :: 120.45(4.18) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 C 0.12 L 0.11 A 0.1 C Shift Assignments>> C :: 179.521 CA :: 51.783 CB :: 46.276 CG :: 26.932 CD1 :: 22.920 CD2 :: 25.497 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.394 HA :: 5.073 HB2 :: 1.900 HB3 :: 1.514 HG :: 1.804 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.281 HD22 :: 0.281 HD23 :: 0.281 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.382 Ave N Shift Values>> N :: 121.86(3.9) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.46 G 0.2 A 0.14 C 0.07 N 0.05 D 0.01 L 0.01 C Shift Assignments>> C :: 172.404 CA :: 48.393 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.253 HA2 :: 4.441 HA3 :: 4.149 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.675 Ave N Shift Values>> N :: 109.67(3.87) 1.L64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.51 C 0.19 A 0.17 G 0.09 R 0.02 C Shift Assignments>> CA :: 54.302 CB :: 43.272 CG :: 25.751 CD1 :: 25.327 CD2 :: 21.992 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.840 HA :: 4.584 HB2 :: 0.274(S) HB3 :: 1.032 HG :: 0.991 HD11 :: -0.283(S) HD12 :: -0.283(S) HD13 :: -0.283(S) HD21 :: -0.677(S) HD22 :: -0.677(S) HD23 :: -0.677(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.754 Ave N Shift Values>> N :: 121.86(3.9) 1.R65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 R 0.26 G 0.1 K 0.09 C Shift Assignments>> C :: 174.245 CA :: 54.904 CB :: 34.531 CG :: 26.908 CD :: 43.229 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.218 HA :: 5.160 HB2 :: 1.385 HB3 :: 1.038 HG2 :: 1.151 HG3 :: 0.883 HD2 :: 1.892(S) HD3 :: 1.802(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.476 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.49 D 0.27 L 0.07 C 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 176.516 CA :: 51.854 CB :: 39.768 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.756 HA :: 4.429 HB2 :: 1.514(S) HB3 :: 0.568(S) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.754 Ave N Shift Values>> N :: 120.65(3.86) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 M 0.06 I 0.06 Q 0.06 K 0.05 C Shift Assignments>> C :: 175.648 CA :: 58.848 CB :: 30.316 CG :: 35.931 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.488 HA :: 3.776 HB2 :: 1.877 HB3 :: 1.877 HG2 :: 2.113 HG3 :: 2.113 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.390 Ave N Shift Values>> N :: 120.67(3.48) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.24 C 0.07 L 0.07 F 0.06 Y 0.06 C Shift Assignments>> C :: 174.482 CA :: 52.914 CB :: 39.412 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.336 HA :: 4.664 HB2 :: 2.796 HB3 :: 2.555 HD21 :: 7.448 HD22 :: 6.819 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.882 ND2 :: 111.778 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.46 C 0.01 C Shift Assignments>> C :: 177.082 CA :: 53.632 CB :: 17.171 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.444 HA :: 3.874 HB1 :: 1.311 HB2 :: 1.311 HB3 :: 1.311 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.915 Ave N Shift Values>> N :: 123.23(3.54) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.34 R 0.16 C Shift Assignments>> C :: 177.726 CA :: 55.423 CB :: 32.736 CG :: 24.681 CD :: 28.584 CE :: 42.009 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.925 HA :: 4.318 HB2 :: 1.905 HB3 :: 1.526 HG2 :: 1.262 HG3 :: 1.353 HD2 :: 1.574 HD3 :: 1.574 HE2 :: 2.931 HE3 :: 2.931 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.439 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.127 CA :: 45.674 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.956 HA3 :: 3.078 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 C 0.28 K 0.18 R 0.14 M 0.02 E 0.01 P 0.01 C Shift Assignments>> C :: 174.283 CA :: 53.157 CB :: 27.633 CG :: 33.700 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.749 HA :: 4.391 HB2 :: 1.964 HB3 :: 1.684 HG2 :: 2.146 HG3 :: 2.146 HE21 :: 7.497 HE22 :: 6.852 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.084 NE2 :: 112.284 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 175.776 CA :: 56.821 CB :: 28.876 CD1 :: 127.506 CE3 :: 120.224 CZ2 :: 115.298 CZ3 :: 122.434 CH2 :: 124.242 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.599 HA :: 3.905 HB2 :: 2.126 HB3 :: 1.271(S) HD1 :: 7.044 HE1 :: 10.179 HE3 :: 6.822 HZ2 :: 7.224 HZ3 :: 6.592 HH2 :: 6.921 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.803 NE1 :: 128.301 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 G 0.18 R 0.14 K 0.12 HN Overlap>> 1.M39 1.M39 C Shift Assignments>> C :: 176.980 CA :: 54.333 CB :: 34.623 CD :: 43.448 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.443 HA :: 4.706 HB2 :: 1.898 HB3 :: 1.757 HG2 :: 1.696 HG3 :: 1.696 HD2 :: 3.302 HD3 :: 3.223 HE :: 7.220 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.549 NE :: 85.727 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.W75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 W 0.08 C Shift Assignments>> C :: 180.474 CA :: 55.766 CB :: 31.030 CD1 :: 129.633 CE3 :: 122.606 CZ2 :: 117.153 CZ3 :: 122.458 CH2 :: 122.520 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.052 HA :: 5.427 HB2 :: 3.574 HB3 :: 3.393 HD1 :: 7.430 HE1 :: 11.046 HE3 :: 7.649 HZ2 :: 8.145 HZ3 :: 7.221 HH2 :: 6.807 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.690 NE1 :: 130.412 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 175.431 CA :: 64.564 CB :: 32.369 CG1 :: 20.880 CG2 :: 22.795 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> HA :: 4.278 HB :: 2.586 HG11 :: 1.238 HG12 :: 1.238 HG13 :: 1.238 HG21 :: 1.253 HG22 :: 1.253 HG23 :: 1.253 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.31 L 0.13 F 0.06 C 0.06 Y 0.05 K 0.01 HN Overlap>> 1.E99 1.E99 C Shift Assignments>> C :: 176.293 CA :: 52.759 CB :: 40.410 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.004 HA :: 3.978 HB2 :: 3.113 HB3 :: 2.107 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.941 Ave N Shift Values>> N :: 120.65(3.86) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.25 Q 0.14 R 0.06 E 0.03 I 0.03 C Shift Assignments>> C :: 176.387 CA :: 57.792 CB :: 26.101 CG :: 34.597 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.124 HA :: 4.125 HB2 :: 2.504 HB3 :: 2.394 HG2 :: 2.334 HG3 :: 2.334 HE21 :: 6.873 HE22 :: 7.516 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 109.962 NE2 :: 112.618 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T79 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 :: 172.901 CA :: 63.165 CB :: 69.427 CG2 :: 20.259 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.172 HA :: 4.250 HB :: 3.831 HG21 :: 1.135 HG22 :: 1.135 HG23 :: 1.135 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.656 Ave N Shift Values>> N :: 115.42(4.75) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.940 CA :: 63.688 CB :: 32.187 CG :: 28.233 CD :: 51.312 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.522 HB2 :: 2.465 HB3 :: 1.959 HG2 :: 2.241 HG3 :: 2.104 HD2 :: 3.773 HD3 :: 4.114 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 174.853 CA :: 58.353 CB :: 40.019 CD1 :: 132.376 CD2 :: 132.376 CE1 :: 131.453 CE2 :: 131.453 CZ :: 130.890 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.015 HA :: 4.909 HB2 :: 2.916 HB3 :: 3.096 HD1 :: 7.140 HD2 :: 7.140 HE1 :: 7.280 HE2 :: 7.280 HZ :: 7.280 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.403 Ave N Shift Values>> N :: 120.45(4.18) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.14 G 0.14 C 0.12 L 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 173.643 CA :: 48.803 CB :: 39.495 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.985 HA :: 5.055 HB2 :: 2.697 HB3 :: 3.101 HD21 :: 7.749 HD22 :: 7.115 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 129.264 ND2 :: 111.513 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.22 C Shift Assignments>> C :: 177.123 CA :: 63.785 CB :: 32.514 CG :: 27.069 CD :: 51.252 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.003 HB2 :: 2.528 HB3 :: 2.102 HG2 :: 2.204 HG3 :: 2.004 HD2 :: 3.865 HD3 :: 3.774 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.36 K 0.09 G 0.04 C Shift Assignments>> C :: 176.890 CA :: 56.003 CB :: 30.158 CG :: 27.659 CD :: 43.131 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.697 HA :: 4.323 HB2 :: 1.997 HB3 :: 1.704 HG2 :: 1.632 HG3 :: 1.632 HD2 :: 3.232 HD3 :: 3.232 HE :: 7.252 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.801 NE :: 84.729 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 C 0.27 G 0.15 K 0.01 L 0.01 C Shift Assignments>> C :: 173.017 CA :: 53.809 CB :: 30.040 CG :: 27.103 CD :: 43.634 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.596 HA :: 4.305 HB2 :: 1.563 HB3 :: 1.877 HG2 :: 1.519 HG3 :: 1.516 HD2 :: 3.313 HD3 :: 3.236 HE :: 7.242 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.958 NE :: 85.274 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 V 0.03 A 0.02 C Shift Assignments>> CA :: 58.266 CB :: 34.226 CG1 :: 17.988 CG2 :: 22.444 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.570 HA :: 3.799 HB :: 1.173 HG11 :: 0.746 HG12 :: 0.746 HG13 :: 0.746 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 110.039 Ave N Shift Values>> N :: 121.14(4.54) 1.F87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> F 0.54 C 0.45 C Shift Assignments>> C :: 173.471 CA :: 55.377 CB :: 37.384 CD1 :: 132.421 CD2 :: 132.421 CE1 :: 130.314 CE2 :: 130.314 CZ :: 127.824 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> HA :: 4.322 HB2 :: 2.809 HB3 :: 0.754(S) HD1 :: 6.802 HD2 :: 6.802 HE1 :: 6.892 HE2 :: 6.892 HZ :: 6.814 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.W88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 W 0.39 C Shift Assignments>> C :: 179.297 CA :: 57.237 CB :: 31.550 CD1 :: 128.239 CE3 :: 121.685 CZ2 :: 113.562 CZ3 :: 120.724 CH2 :: 126.066 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.633 HA :: 4.802 HB2 :: 3.536 HB3 :: 2.832 HD1 :: 7.185 HE1 :: 10.367 HE3 :: 7.670 HZ2 :: 6.206 HZ3 :: 6.688 HH2 :: 5.736 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.538 NE1 :: 128.361 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 W 0.29 H 0.24 C Shift Assignments>> C :: 175.621 CA :: 58.121 CB :: 32.712 CD2 :: 118.959 CE1 :: 139.914 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.473 HA :: 4.371 HB2 :: 3.294 HB3 :: 3.294 HD2 :: 6.757 HE1 :: 8.405 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.693 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.44 R 0.09 C Shift Assignments>> C :: 177.228 CA :: 58.242 CB :: 32.482 CG :: 24.822 CD :: 29.250 CE :: 42.083 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.741 HA :: 4.111 HB2 :: 1.847 HB3 :: 1.785 HG2 :: 1.521 HG3 :: 1.461 HD2 :: 1.710 HD3 :: 1.710 HE2 :: 3.001 HE3 :: 3.001 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.826 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 N 0.2 Y 0.15 E 0.15 F 0.11 M 0.06 D 0.04 I 0.02 L 0.01 K 0.01 C Shift Assignments>> C :: 173.391 CA :: 55.335 CB :: 37.385 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.906 HA :: 4.316 HB2 :: 3.125 HB3 :: 3.003 HD21 :: 6.909 HD22 :: 7.625 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.166 ND2 :: 113.273 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 M 0.18 Q 0.06 K 0.04 C Shift Assignments>> C :: 173.188 CA :: 53.271 CB :: 30.454 CG :: 36.139 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.738 HA :: 4.287 HB2 :: 2.513 HB3 :: 2.278 HG2 :: 2.247 HG3 :: 2.241 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.991 Ave N Shift Values>> N :: 120.67(3.48) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 L 0.22 C 0.13 K 0.05 R 0.01 A 0.01 C Shift Assignments>> CG :: 24.796 CD :: 50.159 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HG2 :: 1.830 HG3 :: 1.697 HD2 :: 3.512 HD3 :: 3.442 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.16 C 0.1 Y 0.08 F 0.08 L 0.04 C Shift Assignments>> C :: 175.699 CA :: 53.459 CB :: 38.725 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.644 HB2 :: 2.713 HB3 :: 2.713 HD21 :: 6.680 HD22 :: 7.408 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 111.567 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T132 1.T132 C Shift Assignments>> C :: 174.831 CA :: 58.753 CB :: 64.216 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.118 HA :: 4.405 HB2 :: 3.825 HB3 :: 3.804 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.489 Ave N Shift Values>> N :: 116.28(3.52) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.26 C 0.24 M 0.07 E 0.07 R 0.02 C Shift Assignments>> C :: 176.063 CA :: 55.957 CB :: 29.528 CG :: 33.805 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.371 HA :: 4.252 HB2 :: 2.117 HB3 :: 1.953 HG2 :: 2.338 HG3 :: 2.338 HE21 :: 7.502 HE22 :: 6.806 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.023 NE2 :: 112.607 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.460 CA :: 44.936 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.080 HA2 :: 4.024 HA3 :: 3.751 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.498 Ave N Shift Values>> N :: 109.67(3.87) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.31 K 0.11 Q 0.07 I 0.04 M 0.04 HN Overlap>> 1.D77 1.D77 C Shift Assignments>> C :: 176.605 CA :: 56.508 CB :: 29.469 CG :: 36.204 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.004 HA :: 4.271 HB2 :: 1.937 HB3 :: 1.856 HG2 :: 2.318 HG3 :: 2.237 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.919 Ave N Shift Values>> N :: 120.67(3.48) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.26 K 0.12 N 0.07 R 0.06 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> CA :: 53.381 CB :: 41.917 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 5.280 HB2 :: 2.769 HB3 :: 2.632 HD21 :: 7.332 HD22 :: 6.914 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 111.188 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 G 0.17 F 0.12 C 0.12 L 0.11 Y 0.07 K 0.02 I 0.02 D 0.01 C Shift Assignments>> CA :: 59.338 CB :: 43.778 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.707 HA :: 5.490 HB2 :: 2.879 HB3 :: 2.879 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.118 Ave N Shift Values>> N :: 120.17(4.64) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.9 V 0.08 C Shift Assignments>> C :: 175.530 CA :: 63.033 CB :: 35.154 CG1 :: 25.373 CG2 :: 22.440 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> HA :: 5.186 HB :: 1.549 HG11 :: 0.631 HG12 :: 0.631 HG13 :: 0.631 HG21 :: 0.405 HG22 :: 0.405 HG23 :: 0.405 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.07 A 0.06 C Shift Assignments>> C :: 175.136 CA :: 57.737 CB :: 35.134 CG1 :: 19.680 CG2 :: 23.580 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.698 HA :: 5.348 HB :: 1.812 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 HG21 :: 0.489 HG22 :: 0.489 HG23 :: 0.489 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.890 Ave N Shift Values>> N :: 121.14(4.54) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 G 0.37 C 0.22 R 0.03 C Shift Assignments>> C :: 176.248 CA :: 54.993 CB :: 44.842 CG :: 27.314 CD1 :: 25.963 CD2 :: 24.847 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.453 HA :: 4.976 HB2 :: 2.017 HB3 :: 1.503 HG :: 1.831 HD11 :: 0.677 HD12 :: 0.677 HD13 :: 0.677 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.477 Ave N Shift Values>> N :: 121.86(3.9) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.28 HN Overlap>> 1.E44 1.E44 C Shift Assignments>> C :: 173.635 CA :: 61.233 CB :: 36.634 CG1 :: 22.729 CG2 :: 21.143 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.477 HA :: 5.015 HB :: 2.099 HG11 :: 1.034 HG12 :: 1.034 HG13 :: 1.034 HG21 :: 1.012 HG22 :: 1.012 HG23 :: 1.012 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.109 Ave N Shift Values>> N :: 121.14(4.54) 1.Y106 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Suspicious PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 175.009 CA :: 57.049 CB :: 37.951 CD1 :: 133.289 CD2 :: 133.289 CE1 :: 117.016 CE2 :: 117.016 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.509 HA :: 4.465 HB2 :: 0.298(A) HB3 :: 2.576 HD1 :: 5.801(S) HD2 :: 5.801(S) HE1 :: 6.472 HE2 :: 6.472 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 136.491(S) Ave N Shift Values>> N :: 120.52(4.2) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.22 L 0.18 F 0.05 C 0.05 K 0.05 Y 0.04 C Shift Assignments>> C :: 173.919 CA :: 52.609 CB :: 41.010 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.329 HA :: 4.550 HB2 :: 2.262 HB3 :: 1.891 HD21 :: 7.236 HD22 :: 6.727 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.433 ND2 :: 112.119 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.25 Q 0.17 R 0.12 E 0.01 I 0.01 C Shift Assignments>> C :: 175.060 CA :: 57.606 CB :: 26.264 CG :: 33.793 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.558 HA :: 3.654 HB2 :: 2.147 HB3 :: 2.054 HG2 :: 2.234 HG3 :: 2.234 HE21 :: 7.458 HE22 :: 6.726 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.681 NE2 :: 112.179 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 F 0.16 N 0.15 Y 0.14 L 0.14 C 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 174.354 CA :: 55.199 CB :: 40.026 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.199 HA :: 3.977 HB2 :: 2.871 HB3 :: 2.779 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 109.712 Ave N Shift Values>> N :: 120.65(3.86) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.38 A 0.02 R 0.01 G 0.01 C Shift Assignments>> C :: 174.674 CA :: 55.469 CB :: 35.589 CG :: 23.317 CD :: 29.307 CE :: 42.020 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.081 HA :: 4.552 HB2 :: 1.820 HB3 :: 1.715 HG2 :: 1.465 HG3 :: 1.118 HD2 :: 1.656 HD3 :: 1.656 HE2 :: 2.930 HE3 :: 2.930 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.590 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 W 0.17 C Shift Assignments>> C :: 175.920 CA :: 57.189 CB :: 30.869 CD1 :: 127.654 CE3 :: 120.332 CZ2 :: 114.711 CZ3 :: 123.305 CH2 :: 127.402 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.650 HA :: 5.073 HB2 :: 2.972 HB3 :: 3.153 HD1 :: 7.428 HE1 :: 10.023 HE3 :: 7.422 HZ2 :: 6.947 HZ3 :: 7.433 HH2 :: 7.641 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.248 NE1 :: 128.827 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A112 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.65 M 0.32 C Shift Assignments>> C :: 174.995 CA :: 52.315 CB :: 16.882 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.790 HA :: 4.168 HB1 :: 0.355(S) HB2 :: 0.355(S) HB3 :: 0.355(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.184 Ave N Shift Values>> N :: 123.23(3.54) 1.W113 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 W 0.4 C Shift Assignments>> C :: 177.471 CA :: 54.615 CB :: 32.374 CD1 :: 123.035 CE3 :: 120.338 CZ2 :: 114.476 CZ3 :: 121.028 CH2 :: 124.181 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.969 HA :: 6.156 HB2 :: 2.858 HB3 :: 2.857 HD1 :: 6.618 HE1 :: 10.400 HE3 :: 4.967(S) HZ2 :: 7.489 HZ3 :: 6.202 HH2 :: 7.598 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.725 NE1 :: 128.033 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HE3 > HA : 1.0000) 1.N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.25 N 0.12 K 0.07 C 0.05 R 0.05 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 174.708 CA :: 51.758 CB :: 42.018 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.518 HA :: 5.490 HB2 :: 2.786 HB3 :: 2.631 HD21 :: 7.356 HD22 :: 6.220 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.479 ND2 :: 107.266 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.35 N 0.33 L 0.13 C 0.05 F 0.05 Y 0.04 K 0.01 HN Overlap>> 1.C14 1.C14 C Shift Assignments>> C :: 174.291 CA :: 52.187 CB :: 40.504 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.563 HA :: 5.871(S) HB2 :: 3.053 HB3 :: 2.827 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.209 Ave N Shift Values>> N :: 120.65(3.86) 1.V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.13 A 0.02 C Shift Assignments>> C :: 172.334 CA :: 58.281 CB :: 34.333 CG1 :: 19.203 CG2 :: 22.622 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.369 HA :: 4.895 HB :: 1.906 HG11 :: 0.859 HG12 :: 0.859 HG13 :: 0.859 HG21 :: 0.588 HG22 :: 0.588 HG23 :: 0.588 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.669 Ave N Shift Values>> N :: 121.14(4.54) 1.P117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> CA :: 63.076 CB :: 32.359 CG :: 28.615 CD :: 50.432 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.934 HB2 :: 2.573 HB3 :: 2.070 HG2 :: 2.107 HG3 :: 2.037 HD2 :: 3.728 HD3 :: 3.165 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.C118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.32 G 0.17 L 0.14 F 0.11 C 0.11 Y 0.07 K 0.02 D 0.01 I 0.01 C Shift Assignments>> C :: 175.583 CA :: 58.904 CB :: 43.841 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HA :: 4.450 HB2 :: 3.181 HB3 :: 2.857 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 C 0.18 E 0.07 Y 0.06 M 0.06 F 0.04 D 0.03 C Shift Assignments>> C :: 174.849 CA :: 53.142 CB :: 37.076 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.411 HA :: 4.913 HB2 :: 3.156 HB3 :: 2.965 HD21 :: 7.636 HD22 :: 6.900 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.251 ND2 :: 111.308 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 173.156 CA :: 58.360 CB :: 40.449 CD1 :: 131.737 CD2 :: 131.737 CE1 :: 131.702 CE2 :: 131.702 CZ :: 130.031 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.097 HA :: 4.546 HB2 :: 3.599 HB3 :: 3.240 HD1 :: 7.178 HD2 :: 7.178 HE1 :: 7.346 HE2 :: 7.346 HZ :: 7.357 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.415 Ave N Shift Values>> N :: 120.45(4.18) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.26 M 0.18 Q 0.17 K 0.08 C Shift Assignments>> C :: 174.732 CA :: 54.588 CB :: 30.420 CG :: 35.358 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.012 HA :: 4.553 HB2 :: 1.695 HB3 :: 1.455 HG2 :: 2.354 HG3 :: 2.011 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.143 Ave N Shift Values>> N :: 120.67(3.48) 1.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 L 0.03 C 0.03 M 0.01 C Shift Assignments>> C :: 177.616 CA :: 51.243 CB :: 20.602 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.441 HA :: 4.471 HB1 :: 0.798 HB2 :: 0.798 HB3 :: 0.798 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.793 Ave N Shift Values>> N :: 123.23(3.54) 1.S123 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.514 CA :: 60.661 CB :: 62.943 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.716 HA :: 4.522 HB2 :: 4.236 HB3 :: 2.941(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.420 Ave N Shift Values>> N :: 116.28(3.52) 1.R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.14 C 0.14 R 0.14 H 0.13 W 0.09 E 0.08 Q 0.05 V 0.01 C Shift Assignments>> C :: 173.779 CA :: 55.939 CB :: 31.925 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.840 HA :: 5.490 HB2 :: 2.369 HB3 :: 1.641 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 112.529 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 I 0.22 C Shift Assignments>> C :: 175.656 CA :: 60.836 CB :: 41.558 CG1 :: 28.289 CG2 :: 20.056 CD1 :: 15.810 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.989 HA :: 4.718 HB :: 1.624 HG12 :: 1.637 HG13 :: 0.535 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 HD11 :: 0.604 HD12 :: 0.604 HD13 :: 0.604 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.525 Ave N Shift Values>> N :: 121.46(4.28) 1.C126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.19 C 0.07 L 0.04 F 0.04 Y 0.03 C Shift Assignments>> C :: 173.662 CA :: 51.840 CB :: 39.141 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.288 HA :: 5.570 HB2 :: 2.519 HB3 :: 3.070 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.910 Ave N Shift Values>> N :: 120.17(4.64) 1.K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 G 0.03 K 0.02 C Shift Assignments>> C :: 174.637 CA :: 55.235 CB :: 38.518 CE :: 42.022 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.681 HA :: 5.619 HB2 :: 2.091 HB3 :: 1.523 HE2 :: 2.906 HE3 :: 2.906 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.170 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 G 0.22 I 0.1 A 0.01 C Shift Assignments>> C :: 172.463 CA :: 58.384 CB :: 43.888 CG1 :: 28.391 CG2 :: 16.975 CD1 :: 13.583 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.205 HA :: 4.900 HB :: 1.368 HG12 :: 1.523 HG13 :: 1.039 HG21 :: 0.474 HG22 :: 0.474 HG23 :: 0.474 HD11 :: 0.213 HD12 :: 0.213 HD13 :: 0.213 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 129.226 Ave N Shift Values>> N :: 121.46(4.28) 1.P129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.47 C Shift Assignments>> C :: 177.954 CA :: 62.624 CB :: 32.501 CG :: 27.812 CD :: 51.941 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.991 HB2 :: 2.386 HB3 :: 1.981 HG2 :: 2.152 HG3 :: 2.006 HD2 :: 3.950 HD3 :: 3.754 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.022 CA :: 46.256 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.673 HA2 :: 4.132 HA3 :: 3.707 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.745 Ave N Shift Values>> N :: 109.67(3.87) 1.T131 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 :: 175.259 CA :: 61.500 CB :: 69.998 CG2 :: 21.630 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.870 HA :: 4.427 HB :: 4.198 HG21 :: 1.165 HG22 :: 1.165 HG23 :: 1.165 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.246 Ave N Shift Values>> N :: 115.42(4.75) 1.T132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.S96 1.S96 C Shift Assignments>> C :: 174.867 CA :: 62.453 CB :: 69.868 CG2 :: 21.816 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.120 HA :: 4.281 HB :: 4.200 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.455 Ave N Shift Values>> N :: 115.42(4.75) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.31 R 0.04 G 0.01 C Shift Assignments>> C :: 177.365 CA :: 55.747 CB :: 42.322 CG :: 27.083 CD1 :: 23.875 CD2 :: 24.968 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.117 HA :: 4.262 HB2 :: 1.600 HB3 :: 1.537 HG :: 1.539 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 HD21 :: 0.840 HD22 :: 0.840 HD23 :: 0.840 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.001 Ave N Shift Values>> N :: 121.86(3.9) 1.N134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.18 C 0.09 Y 0.09 F 0.08 L 0.05 HN Overlap>> 1.E136 1.E136 1.Q141 1.Q141 C Shift Assignments>> C :: 175.725 CA :: 53.625 CB :: 38.836 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.325 HA :: 4.621 HB2 :: 2.807 HB3 :: 2.806 HD21 :: 7.594 HD22 :: 6.937 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.222 ND2 :: 112.786 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.23 C 0.02 C Shift Assignments>> C :: 179.061 CA :: 53.932 CB :: 18.939 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.205 HA :: 4.129 HB1 :: 1.396 HB2 :: 1.396 HB3 :: 1.396 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.649 Ave N Shift Values>> N :: 123.23(3.54) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 C 0.13 H 0.12 Q 0.12 R 0.11 K 0.11 M 0.03 I 0.03 HN Overlap>> 1.N134 1.N134 C Shift Assignments>> C :: 177.504 CA :: 57.879 CB :: 29.646 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.349 HA :: 4.205 HB2 :: 2.046 HB3 :: 2.046 HG2 :: 2.313 HG3 :: 2.313 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.187 Ave N Shift Values>> N :: 120.67(3.48) 1.N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.16 Y 0.13 F 0.12 C 0.12 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 176.785 CA :: 54.474 CB :: 38.709 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.259 HA :: 4.637 HB2 :: 2.839 HB3 :: 2.839 HD21 :: 7.647 HD22 :: 6.909 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.988 ND2 :: 112.303 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.36 R 0.03 C Shift Assignments>> C :: 178.872 CA :: 56.927 CB :: 42.001 CG :: 27.083 CD1 :: 24.932 CD2 :: 23.631 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.084 HA :: 4.135 HB2 :: 1.609 HB3 :: 1.458 HG :: 1.550 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 HD21 :: 0.805 HD22 :: 0.805 HD23 :: 0.805 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.438 Ave N Shift Values>> N :: 121.86(3.9) 1.Y139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.W7 1.W7 C Shift Assignments>> C :: 177.587 CA :: 60.145 CB :: 38.366 CD1 :: 133.401 CD2 :: 133.401 CE1 :: 118.115 CE2 :: 118.115 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.130 HA :: 4.286 HB2 :: 2.983 HB3 :: 2.983 HD1 :: 6.881 HD2 :: 6.881 HE1 :: 6.559 HE2 :: 6.559 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.558 Ave N Shift Values>> N :: 120.52(4.2) 1.F140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 HN Overlap>> 1.F10 1.W7 1.F10 1.W7 C Shift Assignments>> C :: 177.425 CA :: 59.630 CB :: 39.252 CD1 :: 131.921 CD2 :: 131.921 CE1 :: 131.627 CE2 :: 131.627 CZ :: 130.084 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.275 HA :: 4.355 HB2 :: 3.182 HB3 :: 3.052 HD1 :: 7.106 HD2 :: 7.106 HE1 :: 7.238 HE2 :: 7.238 HZ :: 7.168 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.508 Ave N Shift Values>> N :: 120.45(4.18) 1.Q141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.27 C 0.27 E 0.07 R 0.04 M 0.03 HN Overlap>> 1.N134 1.N134 C Shift Assignments>> C :: 176.976 CA :: 57.363 CB :: 29.028 CG :: 33.833 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.250 HA :: 4.113 HB2 :: 2.110 HB3 :: 2.023 HG2 :: 2.394 HG3 :: 2.394 HE21 :: 6.851 HE22 :: 7.458 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.274 NE2 :: 111.637 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.981 CA :: 59.003 CB :: 63.812 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.883 HA :: 4.287 HB2 :: 3.785 HB3 :: 3.739 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.008 Ave N Shift Values>> N :: 116.28(3.52) 1.H143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.13 W 0.12 E 0.11 C 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 174.397 CA :: 56.043 CB :: 28.949 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.018 HA :: 4.496 HB2 :: 3.033 HB3 :: 2.734 HD2 :: 6.990 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.375 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H144 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.16 H 0.15 K 0.13 W 0.12 E 0.12 R 0.12 C 0.11 M 0.04 L 0.01 C Shift Assignments>> C :: 174.268 CA :: 55.709 CB :: 29.358 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.636 HB2 :: 3.034 HB3 :: 3.034 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.W149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 176.122 CA :: 57.129 CB :: 29.935 CD1 :: 127.203 CE3 :: 121.053 CZ2 :: 114.650 CZ3 :: 122.204 CH2 :: 124.785 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.141 HA :: 4.664 HB2 :: 3.234 HB3 :: 3.142 HD1 :: 7.167 HE1 :: 10.097 HE3 :: 7.497 HZ2 :: 7.320 HZ3 :: 7.031 HH2 :: 7.095 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.905 NE1 :: 129.415 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.711 CA :: 58.331 CB :: 63.802 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.231 HA :: 4.331 HB2 :: 3.702 HB3 :: 3.662 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.580 Ave N Shift Values>> N :: 116.28(3.52) 1.H151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.16 K 0.14 C 0.13 W 0.11 R 0.1 E 0.07 M 0.04 L 0.04 C Shift Assignments>> C :: 172.492 CA :: 53.656 CB :: 28.947 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.167 HA :: 4.834 HB2 :: 3.139 HB3 :: 3.024 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.167 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.941 CA :: 63.605 CB :: 32.251 CG :: 27.521 CD :: 50.786 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.313 HB2 :: 1.765 HB3 :: 2.200 HG2 :: 1.945 HG3 :: 1.946 HD2 :: 3.688 HD3 :: 3.497 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 M 0.06 E 0.06 R 0.03 C Shift Assignments>> C :: 175.723 CA :: 56.305 CB :: 29.431 CG :: 33.683 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.475 HA :: 4.189 HB2 :: 1.884 HB3 :: 1.855 HG2 :: 2.168 HG3 :: 2.100 HE21 :: 6.797 HE22 :: 7.410 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.519 NE2 :: 112.157 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 175.595 CA :: 57.368 CB :: 39.663 CD1 :: 131.909 CD2 :: 131.909 CE1 :: 131.732 CE2 :: 131.732 CZ :: 129.993 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.113 HA :: 4.677 HB2 :: 3.192 HB3 :: 2.998 HD1 :: 7.225 HD2 :: 7.225 HE1 :: 7.293 HE2 :: 7.293 HZ :: 7.237 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.769 Ave N Shift Values>> N :: 120.45(4.18) 1.E155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 M 0.19 E 0.13 K 0.13 C Shift Assignments>> C :: 175.213 CA :: 56.535 CB :: 30.531 CG :: 34.256 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.213 HA :: 4.272 HB2 :: 2.036 HB3 :: 1.885 HG2 :: 2.233 HG3 :: 2.233 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.522 Ave N Shift Values>> N :: 120.67(3.48) 1.K156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.44 R 0.08 C Shift Assignments>> C :: 181.221 CA :: 57.796 CB :: 33.884 CG :: 24.833 CD :: 29.245 CE :: 42.072 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.881 HA :: 4.128 HB2 :: 1.826 HB3 :: 1.722 HG2 :: 1.406 HG3 :: 1.406 HD2 :: 1.684 HD3 :: 1.684 HE2 :: 2.997 HE3 :: 2.997 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.928 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 134 #Clerical: 0 #Suspicious: 21 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 150 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 154 #Suspicious: 2 C Shift Results: #Consistent: 671 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent:1007 #Duplicate: 0 #Unknown: 0 #Suspicious: 39 #Anomalous: 1 N Shift Results: #Consistent: 167 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.P4 HG2 = 0.394(S), Expected = 1.93, Std = 0.3100, ChiSquare = 7.2390e-07 1.R8 HG2 = 0.621(S), Expected = 1.57, Std = 0.2700, ChiSquare = 4.4006e-04 1.R8 HD3 = 2.223(S), Expected = 3.10, Std = 0.2600, ChiSquare = 7.4333e-04 1.F10 HB3 = 1.234(S), Expected = 2.93, Std = 0.4000, ChiSquare = 2.2352e-05 1.Q11 HG3 = 0.845(S), Expected = 2.29, Std = 0.2900, ChiSquare = 6.2684e-07 1.F16 HB2 = 1.620(S), Expected = 3.00, Std = 0.3700, ChiSquare = 1.9169e-04 1.F16 HB3 = 0.495(S), Expected = 2.93, Std = 0.4000, ChiSquare = 1.1469e-09 1.K22 CB = 39.539(S), Expected = 32.79, Std = 1.7800, ChiSquare = 1.4970e-04 1.W24 SRO Rule Break>> HA > HB2 : 0.994219653179191 1.E28 HB2 = 1.171(S), Expected = 2.02, Std = 0.2100, ChiSquare = 5.2804e-05 1.E28 HB3 = 1.171(S), Expected = 1.99, Std = 0.2300, ChiSquare = 3.6963e-04 1.Q47 HE21 = 4.836(S), Expected = 7.24, Std = 0.4500, ChiSquare = 9.1814e-08 1.Q47 NE2 = 105.038(S), Expected = 111.87, Std = 1.7200, ChiSquare = 7.1244e-05 1.Q52 HB3 = 1.031(S), Expected = 2.02, Std = 0.2800, ChiSquare = 4.1221e-04 1.L54 CD1 = 19.020(S), Expected = 24.72, Std = 1.5900, ChiSquare = 3.3720e-04 1.L54 HD11 = -0.566(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6016e-06 1.L54 HD12 = -0.566(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6016e-06 1.L54 HD13 = -0.566(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6016e-06 1.L54 HD21 = -0.599(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.5888e-06 1.L54 HD22 = -0.599(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.5888e-06 1.L54 HD23 = -0.599(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.5888e-06 1.R56 HD3 = 2.102(S), Expected = 3.10, Std = 0.2600, ChiSquare = 1.2381e-04 1.L64 HB2 = 0.274(S), Expected = 1.61, Std = 0.3400, ChiSquare = 8.5154e-05 1.L64 HD11 = -0.283(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.2488e-04 1.L64 HD12 = -0.283(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.2488e-04 1.L64 HD13 = -0.283(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.2488e-04 1.L64 HD21 = -0.677(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2239e-06 1.L64 HD22 = -0.677(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2239e-06 1.L64 HD23 = -0.677(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2239e-06 1.R65 HD2 = 1.892(S), Expected = 3.12, Std = 0.2400, ChiSquare = 3.1098e-07 1.R65 HD3 = 1.802(S), Expected = 3.10, Std = 0.2600, ChiSquare = 5.9662e-07 1.D66 HB2 = 1.514(S), Expected = 2.72, Std = 0.2600, ChiSquare = 3.5101e-06 1.D66 HB3 = 0.568(S), Expected = 2.66, Std = 0.2800, ChiSquare = 7.9329e-14 1.W73 HB3 = 1.271(S), Expected = 3.12, Std = 0.3600, ChiSquare = 2.8048e-07 1.F87 HB3 = 0.754(S), Expected = 2.93, Std = 0.4000, ChiSquare = 5.3281e-08 1.Y106 HB2 = 0.298(A), Expected = 2.91, Std = 0.3700, ChiSquare = 1.6715e-12 1.Y106 HD1 = 5.801(S), Expected = 6.93, Std = 0.3000, ChiSquare = 1.6766e-04 1.Y106 HD2 = 5.801(S), Expected = 6.93, Std = 0.3000, ChiSquare = 1.6766e-04 1.Y106 N = 136.491(S), Expected = 120.52, Std = 4.2000, ChiSquare = 1.4317e-04 1.A112 HB1 = 0.355(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2976e-04 1.A112 HB2 = 0.355(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2976e-04 1.A112 HB3 = 0.355(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2976e-04 1.W113 HE3 = 4.967(S), Expected = 7.31, Std = 0.4100, ChiSquare = 1.0994e-08 1.W113 SRO Rule Break>> HE3 > HA : 1 1.D115 HA = 5.871(S), Expected = 4.59, Std = 0.3200, ChiSquare = 6.2511e-05 1.S123 HB3 = 2.941(S), Expected = 3.85, Std = 0.2700, ChiSquare = 7.6083e-04