Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.25 K 0.21 Q 0.17 R 0.11 H 0.1 W 0.06 E 0.04 V 0.01 C Shift Assignments>> CA :: 55.69083265 CB :: 32.87693424 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) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.17 E 0.16 W 0.15 Q 0.14 M 0.08 K 0.06 C Shift Assignments>> CA :: 56.49177475 CB :: 30.35917551 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 :: 8.382633979 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.7159004 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.01942723 CB :: 63.78800964 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 E 0.01 L 0.01 HN Overlap>> 1.K31 1.K31 C Shift Assignments>> C :: 176.4899076 CA :: 61.20508863 CB :: 38.68540681 CG1 :: 27.44166516 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.16458481 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 :: 122.2196112 Ave N Shift Values>> N :: 121.46(4.28) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 K 0.11 I 0.09 M 0.08 Q 0.06 C Shift Assignments>> C :: 177.1673517 CA :: 57.2787325 CB :: 29.86512256 CG :: 36.46183097 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 :: 8.502421067 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 :: 124.3660701 Ave N Shift Values>> N :: 120.67(3.48) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.3 V 0.26 T 0.22 I 0.16 F 0.01 C Shift Assignments>> C :: 175.3547309 CA :: 63.77927847 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.113813472 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.6669254 Ave N Shift Values>> N :: 116.28(3.52) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.2 K 0.18 F 0.15 Y 0.1 I 0.05 N 0.03 R 0.01 C Shift Assignments>> C :: 176.8482126 CB :: 41.42590905 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.303793144 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 :: 122.3950119 Ave N Shift Values>> N :: 121.46(4.28) 1.K8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.66 M 0.13 K 0.08 Q 0.05 I 0.05 C Shift Assignments>> CA :: 56.5071758 CB :: 30.20042314 CG :: 36.54780457 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>> HA :: 4.250372493 HB2 :: 1.967863443 HB3 :: 2.015748249 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) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Y143 1.Y143 C Shift Assignments>> C :: 176.4763261 CA :: 61.33998159 CB :: 38.57819671 CG1 :: 27.44127833 CG2 :: 17.70447889 CD1 :: 13.444568 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 :: 7.996956025 HA :: 4.211646076 HB :: 1.896036236 HG21 :: 0.8709791125 HG22 :: 0.8709791125 HG23 :: 0.8709791125 HD11 :: 0.84397057 HD12 :: 0.84397057 HD13 :: 0.84397057 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.8061832 Ave N Shift Values>> N :: 121.46(4.28) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 K 0.1 M 0.1 I 0.07 Q 0.07 C Shift Assignments>> C :: 177.2071621 CA :: 57.23595983 CB :: 30.02410442 CG :: 36.36809773 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 :: 8.505308091 HA :: 4.266334095 HB2 :: 1.616708205 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 :: 124.6999714 Ave N Shift Values>> N :: 120.67(3.48) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.3 I 0.08 D 0.08 N 0.07 L 0.05 E 0.03 M 0.01 C Shift Assignments>> CA :: 56.99074552 CB :: 38.73424907 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 :: 7.850015009 HA :: 4.508138869 HB2 :: 2.973444354 HB3 :: 2.974343213 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 :: 119.7924654 Ave N Shift Values>> N :: 120.45(4.18) 1.Y14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.884004024 HD1 :: 7.050220473 HD2 :: 7.050220473 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.5552098 Ave N Shift Values>> N :: 120.52(4.2) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.28 Y 0.23 K 0.17 L 0.13 D 0.08 I 0.06 R 0.01 C Shift Assignments>> C :: 173.3229298 CA :: 57.98504501 CB :: 41.05197675 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 :: 4.351892657 HB2 :: 2.687477396 HB3 :: 3.466413463 HD1 :: 7.247750482 HD2 :: 7.247750482 HE1 :: 7.071483478 HE2 :: 7.071483478 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.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R105 1.R105 C Shift Assignments>> C :: 174.1517565 CA :: 58.1312955 CB :: 64.58244553 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6333319 HA :: 4.304984852 HB2 :: 4.386046108 HB3 :: 4.386046108 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 :: 117.5261581 Ave N Shift Values>> N :: 116.28(3.52) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 E 0.31 K 0.02 C Shift Assignments>> C :: 178.597281 CA :: 60.45410783 CB :: 29.25544012 CG :: 37.29029779 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 :: 9.102958335 HA :: 3.79140775 HB2 :: 2.054934257 HB3 :: 2.068922777 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 :: 122.4508085 Ave N Shift Values>> N :: 120.67(3.48) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.32 K 0.1 Q 0.04 M 0.01 C Shift Assignments>> C :: 178.8484406 CA :: 59.62397422 CB :: 29.24356262 CG :: 36.30672177 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 :: 8.558178799 HA :: 3.967783952 HB2 :: 1.930099868 HB3 :: 2.103668043 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 :: 115.9007973 Ave N Shift Values>> N :: 120.67(3.48) 1.N19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.28 Y 0.26 D 0.16 L 0.14 I 0.05 N 0.04 K 0.03 C Shift Assignments>> C :: 177.4921789 CA :: 56.8567617 CB :: 40.15004985 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 :: 7.484693235 HA :: 4.397787423 HB2 :: 1.547378706(S) HB3 :: 2.342093115 HD21 :: 7.041679454 HD22 :: 8.052475704 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.5315493 ND2 :: 114.1291198 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.01 C Shift Assignments>> C :: 177.4921789 CA :: 57.28006283 CB :: 41.11573398 CG :: 26.17483377 CD1 :: 23.67063638 CD2 :: 25.81012704 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 :: 8.447508133 HA :: 3.861730178 HB2 :: 1.528102632 HB3 :: 1.544880997 HD11 :: 0.6191112839 HD12 :: 0.6191112839 HD13 :: 0.6191112839 HD21 :: 0.3414738904 HD22 :: 0.3414738904 HD23 :: 0.3414738904 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 :: 116.9472588 Ave N Shift Values>> N :: 121.86(3.9) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.27 G 0.01 HN Overlap>> 1.E99 1.E99 C Shift Assignments>> C :: 178.1218384 CA :: 59.2174676 CB :: 32.98165738 CG :: 25.68433528 CD :: 29.45265906 CE :: 42.13527279 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 :: 7.551121567 HA :: 4.122679679 HB2 :: 1.93309169 HB3 :: 1.962047891 HG2 :: 1.542253364 HG3 :: 1.734848183 HD2 :: 1.728156417 HD3 :: 1.728156417 HE2 :: 2.889796356 HE3 :: 2.889796356 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 :: 115.9020483 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.755939 CA :: 61.33040067 CB :: 70.35312465 CG2 :: 21.64811485 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 :: 7.240747192 HA :: 4.627754379 HB :: 4.431813959 HG21 :: 1.209045809 HG22 :: 1.209045809 HG23 :: 1.209045809 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 :: 129.9356295 Ave N Shift Values>> N :: 115.42(4.75) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.25 F 0.08 Y 0.07 L 0.07 C Shift Assignments>> C :: 174.8038967 CA :: 53.25475206 CB :: 39.31099658 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 :: 8.028437454 HA :: 4.753162948 HB2 :: 2.542481106 HB3 :: 2.84575154 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.2909737 Ave N Shift Values>> N :: 120.65(3.86) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.21 E 0.16 R 0.13 H 0.12 Q 0.11 K 0.1 I 0.06 M 0.03 V 0.03 C Shift Assignments>> C :: 178.2996587 CA :: 59.15047688 CB :: 29.92399851 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 :: 8.141922983 HA :: 3.859313251 HB2 :: 2.047671452 HB3 :: 2.047671452 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 :: 125.3078306 Ave N Shift Values>> N :: 120.67(3.48) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 F 0.3 Y 0.24 K 0.08 L 0.02 R 0.01 HN Overlap>> 1.E123 1.E123 C Shift Assignments>> C :: 177.7411916 CA :: 61.20100897 CB :: 41.25787172 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 :: 8.387960026 HB2 :: 3.091034189 HB3 :: 3.091034189 HD1 :: 7.139243597 HD2 :: 7.139243597 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 :: 120.702465 Ave N Shift Values>> N :: 120.45(4.18) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.11 W 0.1 K 0.09 F 0.09 R 0.09 Y 0.09 H 0.08 Q 0.08 M 0.06 S 0.06 L 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 178.5687666 CA :: 57.41502947 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 3.563485177 HB2 :: 1.403240212 HB3 :: 1.409207382 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.21 E 0.16 R 0.14 H 0.13 Q 0.09 V 0.07 K 0.06 M 0.05 I 0.05 C Shift Assignments>> C :: 179.3351052 CA :: 59.37239893 CB :: 30.47383993 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 :: 7.887104195 HA :: 3.068908071 HB2 :: 1.75238182 HB3 :: 1.872093833 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 :: 114.7559331 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.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4547384 CA :: 60.77466607 CB :: 63.0671493 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.812088696 HA :: 4.282295697 HB2 :: 3.971044463 HB3 :: 4.010948467 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.9762475 Ave N Shift Values>> N :: 116.28(3.52) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 A 0.07 R 0.04 V 0.02 C Shift Assignments>> C :: 177.3990919 CA :: 54.40879713 CB :: 31.44335676 CG :: 23.65243286 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 :: 7.422811462 HA :: 4.25756627 HB2 :: 1.983825045 HB3 :: 1.983825045 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 :: 117.8635504 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.49 C Shift Assignments>> C :: 173.970735 CA :: 55.24229637 CB :: 37.17358873 CD1 :: 130.7534687 CD2 :: 130.7534687 CE1 :: 128.2778795 CE2 :: 128.2778795 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 :: 7.554598343 HA :: 4.641431736 HB2 :: 3.257734268 HB3 :: 3.268733986 HD1 :: 7.19359782 HD2 :: 7.19359782 HE1 :: 7.073865293 HE2 :: 7.073865293 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 :: 121.8170262 Ave N Shift Values>> N :: 120.45(4.18) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 Q 0.09 R 0.03 A 0.01 E 0.01 HN Overlap>> 1.I4 1.I4 C Shift Assignments>> C :: 177.8830952 CA :: 54.06895859 CB :: 34.82344174 CG :: 24.82577065 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 :: 8.139114383 HA :: 4.992586975 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 :: 122.1286591 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.27 P 0.05 Q 0.04 V 0.03 C Shift Assignments>> C :: 179.9199426 CA :: 59.73430554 CB :: 32.07408219 CG :: 25.57559598 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 :: 9.704840505 HA :: 4.274314896 HB2 :: 2.063633054 HB3 :: 2.063633054 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 :: 127.7712545 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.36 I 0.01 C Shift Assignments>> C :: 177.6209268 CA :: 54.53339905 CB :: 18.66734809 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.06603706 HA :: 4.106718078 HB1 :: 1.329903896 HB2 :: 1.329903896 HB3 :: 1.329903896 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4090155 Ave N Shift Values>> N :: 123.23(3.54) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.36 L 0.12 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 174.1320695 CA :: 51.94940301 CB :: 40.36065907 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 :: 6.80746598 HA :: 5.072959346 HB2 :: 2.260387108 HB3 :: 3.032880376 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 :: 111.4879241 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.19 N 0.14 F 0.14 Y 0.12 K 0.04 C Shift Assignments>> C :: 172.8212271 CA :: 54.86877227 CB :: 40.4721259 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 :: 8.122853745 HB2 :: 2.518538704 HB3 :: 2.782029039 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.5435648 Ave N Shift Values>> N :: 120.65(3.86) 1.G36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> G 0.86 L 0.09 R 0.01 C Shift Assignments>> C :: 172.3244039 CA :: 45.3043336 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.867636497 HA2 :: 2.332406352(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 123.8298508(S) Ave N Shift Values>> N :: 109.67(3.87) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 I 0.29 Y 0.26 K 0.06 L 0.02 C Shift Assignments>> C :: 176.7128573 CA :: 60.71740986 CB :: 40.9220211 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 :: 7.087868103 HB2 :: 3.016138606 HD1 :: 6.796774743 HD2 :: 6.796774743 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 :: 115.5224102 Ave N Shift Values>> N :: 120.45(4.18) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 A 0.18 C Shift Assignments>> CA :: 57.51577409 CB :: 41.35391428 CG1 :: 26.4672321 CG2 :: 18.11021129 CD1 :: 14.85950168 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 :: 9.041910252 HA :: 5.048483225 HB :: 2.048983061 HG12 :: 1.432381401 HG13 :: 1.798358031 HG21 :: 1.121304207 HG22 :: 1.121304207 HG23 :: 1.121304207 HD11 :: 0.8975661746 HD12 :: 0.8975661746 HD13 :: 0.8975661746 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 :: 117.1465775 Ave N Shift Values>> N :: 121.46(4.28) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.50997121 CB :: 31.32208739 CG :: 27.58581029 CD :: 51.15034115 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 :: 4.019911597 HB2 :: 1.746879929 HB3 :: 1.805806656 HD2 :: 3.692164334 HD3 :: 3.88858495 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.M40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.52 I 0.34 A 0.13 C Shift Assignments>> CE :: 16.65824961 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 :: 1.897341992 HE2 :: 1.897341992 HE3 :: 1.897341992 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.S41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.84 K 0.11 A 0.03 C Shift Assignments>> CA :: 54.06349631 CB :: 41.84130207 CG :: 26.74511849 CD2 :: 23.68306557 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) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 D 0.15 L 0.13 I 0.05 K 0.04 N 0.03 C Shift Assignments>> CA :: 57.07858024 CB :: 40.23728917 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 :: 7.554887321 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.7027518 Ave N Shift Values>> N :: 121.46(4.28) 1.G44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 I 0.14 A 0.08 C Shift Assignments>> CA :: 55.35596978 CE :: 14.60035684 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 :: 9.053058381 HE1 :: 1.80813185 HE2 :: 1.80813185 HE3 :: 1.80813185 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 :: 123.8760681 Ave N Shift Values>> N :: 120.09(3.57) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.95 V 0.04 C Shift Assignments>> CA :: 65.27763838 CB :: 37.09490184 CG1 :: 18.95968469 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>> HB :: 2.131695375 HG11 :: 0.8321735833 HG12 :: 0.8321735833 HG13 :: 0.8321735833 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.N51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.84 R 0.09 G 0.03 A 0.03 C Shift Assignments>> C :: 177.4130328 CA :: 54.81947882 CB :: 42.52713312 CG :: 26.99995961 CD1 :: 23.50988492 CD2 :: 25.36262701 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 4.409988511 HB2 :: 1.576804201 HB3 :: 1.672573811 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.2 R 0.08 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.2237462 CA :: 44.7106419 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.355087914 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1136703 Ave N Shift Values>> N :: 109.67(3.87) 1.G56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.98 C Shift Assignments>> C :: 178.8548046 CA :: 58.48789371 CB :: 41.01787992 CG :: 27.39082027 CD1 :: 24.67551573 CD2 :: 23.3876678 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 3.947570692 HD11 :: 0.3682772038 HD12 :: 0.3682772038 HD13 :: 0.3682772038 HD21 :: 0.1692443297 HD22 :: 0.1692443297 HD23 :: 0.1692443297 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.46 I 0.03 C Shift Assignments>> C :: 181.0949441 CA :: 55.00870275 CB :: 18.34526118 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.780757333 HA :: 4.067654433 HB1 :: 1.550600358 HB2 :: 1.550600358 HB3 :: 1.550600358 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.023993 Ave N Shift Values>> N :: 123.23(3.54) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.41949573 CB :: 62.34625213 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.898978901 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 :: 116.2725561 Ave N Shift Values>> N :: 116.28(3.52) 1.M65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 I 0.28 A 0.1 HN Overlap>> 1.K89 1.K89 C Shift Assignments>> CE :: 15.66865058 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 :: 8.327199051 HE1 :: 1.453867997 HE2 :: 1.453867997 HE3 :: 1.453867997 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.946411 Ave N Shift Values>> N :: 120.09(3.57) 1.R66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.99 C Shift Assignments>> C :: 179.1544108 CA :: 67.10876612 CB :: 31.53856706 CG1 :: 24.06500498 CG2 :: 22.48912063 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 :: 3.359321794 HB :: 2.410250497 HG11 :: 1.01962141 HG12 :: 1.01962141 HG13 :: 1.01962141 HG21 :: 0.882674195 HG22 :: 0.882674195 HG23 :: 0.882674195 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.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 G 0.05 K 0.03 C Shift Assignments>> C :: 179.4856741 CA :: 57.02804987 CB :: 42.68625035 CD1 :: 23.64966671 CD2 :: 25.82108504 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.883149026 HA :: 4.482656079 HD11 :: 0.9320460857 HD12 :: 0.9320460857 HD13 :: 0.9320460857 HD21 :: 0.745329654 HD22 :: 0.745329654 HD23 :: 0.745329654 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 :: 118.9639436 Ave N Shift Values>> N :: 121.86(3.9) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.35 R 0.13 E 0.06 M 0.03 I 0.01 C Shift Assignments>> C :: 176.7101385 CA :: 57.03872292 CB :: 28.21650832 CG :: 33.72187515 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 :: 7.907388351 HA :: 4.134406097 HB2 :: 2.048511812 HB3 :: 2.048511812 HE21 :: 6.977824608 HE22 :: 7.255177891 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 :: 117.1600069 NE2 :: 112.3596617 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.17 Q 0.15 W 0.14 E 0.14 M 0.09 K 0.08 C Shift Assignments>> C :: 175.0120125 CA :: 55.54903543 CB :: 30.22434799 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.505925978 HA :: 4.969484932 HB2 :: 2.718899086 HB3 :: 3.700537593 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 :: 117.0417468 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 V 0.25 R 0.02 Q 0.01 C Shift Assignments>> C :: 178.5883688 CA :: 59.31888738 CB :: 32.4304463 CG :: 24.00774388 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 :: 7.420028042 HA :: 4.705590124 HB2 :: 1.864953392 HB3 :: 2.399667051 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 :: 123.8652922 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.32 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 176.7358677 CA :: 59.0623515 CB :: 29.30477443 CG :: 36.78531375 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 :: 8.877130165 HA :: 4.011788827 HB2 :: 2.040531011 HB3 :: 2.040531011 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.7678381 Ave N Shift Values>> N :: 120.67(3.48) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.3464919 CA :: 62.84885625 CB :: 69.33800575 CG2 :: 21.83446583 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 :: 7.735944634 HA :: 4.40200771 HB :: 4.204705402 HG21 :: 1.210692844 HG22 :: 1.210692844 HG23 :: 1.210692844 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 :: 108.0031065 Ave N Shift Values>> N :: 115.42(4.75) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.12 Y 0.1 F 0.09 E 0.03 L 0.03 M 0.02 C Shift Assignments>> C :: 175.9984995 CA :: 53.63887198 CB :: 38.08500449 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 :: 8.250603874 HA :: 4.633450935 HB2 :: 2.691178432 HB3 :: 2.902823133 HD21 :: 6.964144371 HD22 :: 7.677527853 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 :: 117.7377023 ND2 :: 113.2617957 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.25 K 0.19 Q 0.09 W 0.05 H 0.05 I 0.04 E 0.02 C Shift Assignments>> C :: 173.3799182 CA :: 56.72183836 CB :: 26.147019 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 :: 8.442612739 HA :: 4.21844929 HB2 :: 3.460273207 HB3 :: 3.460273207 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 :: 112.833339 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 A 0.11 G 0.03 K 0.01 C Shift Assignments>> C :: 176.3242008 CA :: 53.88377949 CB :: 42.28593457 CD1 :: 23.01346323 CD2 :: 25.70936363 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 :: 8.367705772 HA :: 5.040243394 HB2 :: 0.7948367137 HB3 :: 1.893937413 HD11 :: 0.4778214694 HD12 :: 0.4778214694 HD13 :: 0.4778214694 HD21 :: 0.6605842947 HD22 :: 0.6605842947 HD23 :: 0.6605842947 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.1887908 Ave N Shift Values>> N :: 121.86(3.9) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.31 Q 0.27 K 0.2 H 0.06 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 174.7289915 CA :: 54.70687892 CB :: 33.76882211 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 :: 8.716770356 HA :: 4.660394459 HB2 :: 1.728439417 HB3 :: 1.728439417 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.6628075 Ave N Shift Values>> N :: 120.67(3.48) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 HN Overlap>> 1.R104 1.R104 C Shift Assignments>> C :: 173.4425324 CA :: 59.07114523 CB :: 40.62089213 CG1 :: 28.09322719 CG2 :: 17.99325115 CD1 :: 13.3900149 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.70229818 HA :: 5.477288398 HB :: 1.643888536 HG21 :: 1.021868893 HG22 :: 1.021868893 HG23 :: 1.021868893 HD11 :: 0.7001952453 HD12 :: 0.7001952453 HD13 :: 0.7001952453 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.2721326 Ave N Shift Values>> N :: 121.46(4.28) 1.A80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.88 L 0.07 K 0.01 R 0.01 C Shift Assignments>> C :: 175.5523253 CA :: 49.88809953 CB :: 25.53377047(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.457765578 HA :: 5.298436368 HB1 :: 0.8124255312 HB2 :: 0.8124255312 HB3 :: 0.8124255312 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.0623581 Ave N Shift Values>> N :: 123.23(3.54) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.29 A 0.03 C Shift Assignments>> C :: 177.1732638 CA :: 52.64680652 CB :: 46.39769081 CG :: 27.09091773 CD1 :: 25.97295224 CD2 :: 24.02303144 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 :: 8.48295159 HA :: 5.157159 HB2 :: 1.410730079 HB3 :: 1.608727404 HD11 :: 0.7054988279 HD12 :: 0.7054988279 HD13 :: 0.7054988279 HD21 :: 0.7188607425 HD22 :: 0.7188607425 HD23 :: 0.7188607425 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 :: 121.5884077 Ave N Shift Values>> N :: 121.86(3.9) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 A 0.01 C Shift Assignments>> C :: 171.4613854 CA :: 47.08875016 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.902772872 HA2 :: 4.118772604 HA3 :: 4.139838103 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.8214806 Ave N Shift Values>> N :: 109.67(3.87) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.29 S 0.22 T 0.19 I 0.14 P 0.13 C Shift Assignments>> C :: 172.618438 CB :: 65.67430322 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.604848213 HA :: 4.995325533 HB2 :: 3.891236454 HB3 :: 3.898344176 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.1356572 Ave N Shift Values>> N :: 116.28(3.52) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L133 1.L133 C Shift Assignments>> C :: 176.5248893 CA :: 62.0831028 CB :: 38.66688906 CG1 :: 28.05887487 CG2 :: 17.30231188 CD1 :: 13.46598153 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.974995773 HA :: 4.504800004 HB :: 1.899825924 HG21 :: 1.084972798 HG22 :: 1.084972798 HG23 :: 1.084972798 HD11 :: 0.9174209715 HD12 :: 0.9174209715 HD13 :: 0.9174209715 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 :: 122.5880813 Ave N Shift Values>> N :: 121.46(4.28) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 K 0.12 M 0.1 Q 0.1 I 0.07 C Shift Assignments>> C :: 177.0988301 CA :: 57.45232002 CB :: 30.04312107 CG :: 36.12733784 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 :: 8.962035366 HA :: 4.278375793 HB2 :: 1.916674336 HB3 :: 1.991805846 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 :: 129.6355542 Ave N Shift Values>> N :: 120.67(3.48) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 174.1850006 CA :: 45.25358202 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.719625569 HA2 :: 3.827390047 HA3 :: 4.202487688 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.3194914 Ave N Shift Values>> N :: 109.67(3.87) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 177.925093 CA :: 52.85365047 CB :: 19.40584663 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.895380805 HA :: 4.338161303 HB1 :: 1.429479734 HB2 :: 1.429479734 HB3 :: 1.429479734 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2587128 Ave N Shift Values>> N :: 123.23(3.54) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.35 E 0.12 M 0.07 R 0.03 HN Overlap>> 1.R104 1.R104 C Shift Assignments>> C :: 176.0808596 CA :: 56.01491717 CB :: 29.29308034 CG :: 34.03520235 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 :: 8.590991758 HA :: 4.330180502 HB2 :: 2.007767448 HB3 :: 2.111517859 HE21 :: 6.877530378 HE22 :: 7.565715218 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 :: 120.1884642 NE2 :: 112.2439754 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.16 G 0.01 HN Overlap>> 1.M65 1.M65 C Shift Assignments>> CA :: 56.06883719 CB :: 32.98806361 CG :: 24.70329254 CD :: 29.13857402 CE :: 42.02599569 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 :: 8.353377415 HA :: 4.330180502 HB2 :: 1.75238182 HB3 :: 1.816228227 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 :: 122.9922584 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.18 Y 0.08 F 0.07 L 0.05 C Shift Assignments>> C :: 175.4687892 CA :: 53.15604168 CB :: 38.762298 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 :: 8.571453679 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 :: 120.356577 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.23 K 0.2 R 0.14 H 0.13 Q 0.1 W 0.09 E 0.07 V 0.01 C Shift Assignments>> C :: 176.1027775 CA :: 55.83394748 CB :: 32.40227172 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>> HA :: 4.433930913 HB2 :: 2.007767448 HB3 :: 2.103537058 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.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 177.6136449 CA :: 52.72959178 CB :: 19.30796829 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.264796136 HA :: 4.338161303 HB1 :: 1.397042118 HB2 :: 1.397042118 HB3 :: 1.397042118 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.5164113 Ave N Shift Values>> N :: 123.23(3.54) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.12 F 0.11 N 0.09 Y 0.09 R 0.01 C Shift Assignments>> C :: 175.9578998 CA :: 54.75628486 CB :: 41.13576953 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 :: 8.107225014 HA :: 4.561623727 HB2 :: 2.606327513 HB3 :: 2.718058726 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 :: 118.7944436 Ave N Shift Values>> N :: 120.65(3.86) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.23 N 0.13 K 0.09 F 0.09 Y 0.06 R 0.01 C Shift Assignments>> C :: 175.5646604 CA :: 53.98953986 CB :: 41.09542343 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 :: 8.153451666 HA :: 4.601527732 HB2 :: 2.606327513 HB3 :: 2.606327513 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 :: 119.4234251 Ave N Shift Values>> N :: 120.65(3.86) 1.F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.49 C Shift Assignments>> C :: 174.612607 CA :: 57.80555563 CB :: 39.60918571 CD1 :: 131.9801737 CD2 :: 131.9801737 CE1 :: 131.7865896 CE2 :: 131.7865896 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 :: 8.131030713 HA :: 4.492645179 HB2 :: 2.947482579 HB3 :: 3.143536238 HD1 :: 7.199977413 HD2 :: 7.199977413 HE1 :: 6.814393346 HE2 :: 6.814393346 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 :: 121.2897161 Ave N Shift Values>> N :: 120.45(4.18) 1.N96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.E125 1.E125 C Shift Assignments>> C :: 173.7888738 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 :: 8.351961975 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 :: 124.5295988 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.94 I 0.02 R 0.01 C Shift Assignments>> C :: 177.8370331 CA :: 63.78071019 CB :: 32.52949128 CG :: 27.27546539 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 :: 4.254077043 HB2 :: 1.840170629 HB3 :: 2.478634699 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.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 A 0.1 C Shift Assignments>> C :: 177.7271658 CA :: 56.56961946 CB :: 40.38118914 CD1 :: 22.3810217 CD2 :: 25.75621718 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.849594672 HA :: 4.038794904 HB2 :: 1.002186538 HB3 :: 1.129879352 HD11 :: 0.5723207514 HD12 :: 0.5723207514 HD13 :: 0.5723207514 HD21 :: 0.770655395 HD22 :: 0.770655395 HD23 :: 0.770655395 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 :: 114.1439285 Ave N Shift Values>> N :: 121.86(3.9) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 I 0.15 K 0.1 M 0.04 Q 0.04 HN Overlap>> 1.K21 1.K21 C Shift Assignments>> C :: 175.2790443 CA :: 57.60532909 CB :: 29.55485676 CG :: 36.69623099 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 :: 7.549321832 HA :: 4.03489087 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 :: 115.9124675 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>> N 0.37 D 0.34 L 0.12 F 0.07 Y 0.06 C Shift Assignments>> C :: 172.8261047 CA :: 53.01382792 CB :: 40.05438123 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 :: 7.260333275 HA :: 5.072367823 HB2 :: 2.262553784 HB3 :: 3.04250143 HD21 :: 6.977778729 HD22 :: 7.494646747 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.8704869 ND2 :: 109.5059116 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.94 G 0.05 C Shift Assignments>> C :: 174.2311885 CA :: 56.67406307 CB :: 42.5818013 CD1 :: 132.4745545 CD2 :: 132.4745545 CE1 :: 118.3716776 CE2 :: 118.3716776 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 :: 6.902757687 HA :: 5.484146843 HB2 :: 2.32382701 HB3 :: 2.578920182 HD1 :: 6.887452905 HD2 :: 6.887452905 HE1 :: 6.639993032 HE2 :: 6.639993032 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 :: 114.4113186 Ave N Shift Values>> N :: 120.52(4.2) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.3 D 0.11 K 0.1 F 0.07 Y 0.04 G 0.02 C Shift Assignments>> C :: 173.2760851 CA :: 55.82371789 CB :: 43.03993445 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 :: 9.102419148 HA :: 4.933710325 HB2 :: 2.029730393 HB3 :: 2.586343499 HD1 :: 7.0500184 HD2 :: 7.0500184 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 :: 120.4292702 Ave N Shift Values>> N :: 120.45(4.18) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 I 0.45 A 0.03 C Shift Assignments>> C :: 172.8236677 CA :: 58.43322476 CB :: 43.36776209 CG1 :: 28.29026431 CG2 :: 16.24801133 CD1 :: 14.9106031 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 :: 9.666591013 HA :: 5.81282916 HB :: 1.531177217 HG12 :: 0.3543957259 HG21 :: 0.804524197 HG22 :: 0.804524197 HG23 :: 0.804524197 HD11 :: 0.58814641 HD12 :: 0.58814641 HD13 :: 0.58814641 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.9625835 Ave N Shift Values>> N :: 121.46(4.28) 1.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 Q 0.27 K 0.18 H 0.06 R 0.05 E 0.03 W 0.02 N 0.01 HN Overlap>> 1.Q88 1.Q88 1.I79 1.I79 C Shift Assignments>> C :: 174.0301141 CA :: 54.14109615 CB :: 33.98462237 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 :: 8.667100796 HA :: 4.655880342 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 :: 120.2410838 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.R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 K 0.2 Q 0.16 R 0.11 H 0.11 W 0.06 E 0.04 HN Overlap>> 1.S16 1.S16 C Shift Assignments>> C :: 177.9007965 CA :: 54.90949245 CB :: 32.79687428 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 :: 7.735831187 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 :: 117.5514426 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.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 I 0.14 M 0.09 K 0.06 Q 0.06 C Shift Assignments>> C :: 177.5991849 CA :: 59.38173147 CB :: 30.40205708 CG :: 36.13199994 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 :: 9.198926219 HA :: 4.098737277 HB2 :: 2.063633054 HB3 :: 2.063633054 HG2 :: 2.268123092 HG3 :: 2.334431527 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 :: 123.3815607 Ave N Shift Values>> N :: 120.67(3.48) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 M 0.21 E 0.12 K 0.04 Y 0.04 Q 0.04 F 0.02 D 0.01 C Shift Assignments>> C :: 175.3119635 CA :: 52.3229453 CB :: 35.96200961 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 :: 8.330576475 HA :: 4.771391574 HB2 :: 2.640590867 HB3 :: 3.014326883 HD21 :: 6.997735023 HD22 :: 7.673087669 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 :: 115.0373987 ND2 :: 111.0425463 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.0900937 CA :: 59.80478706 CB :: 27.60663302 CD1 :: 120.8981322 CE3 :: 119.0955701 CZ2 :: 114.5957896 CZ3 :: 123.7815507 CH2 :: 120.3908922 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.210026276 HA :: 4.00625633 HB2 :: 2.958887976 HB3 :: 3.608561382 HD1 :: 7.389412472 HE1 :: 9.947507514 HE3 :: 7.025122169 HZ2 :: 7.441170934 HZ3 :: 7.07291227 HH2 :: 6.692539476 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 :: 118.0434555 NE1 :: 131.3057037 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.75 A 0.19 I 0.04 C Shift Assignments>> C :: 179.4026419 CA :: 55.38529911 CB :: 16.69881127 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.159990894 HA :: 3.231484664 HB1 :: 0.2811055631(S) HB2 :: 0.2811055631(S) HB3 :: 0.2811055631(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4132011 Ave N Shift Values>> N :: 123.23(3.54) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.29 K 0.08 Q 0.01 M 0.01 C Shift Assignments>> C :: 176.9029909 CA :: 57.99420953 CB :: 28.9714663 CG :: 37.05399994 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 :: 7.674101785 HA :: 3.850387112 HB2 :: 1.658306617 HB3 :: 1.666541752 HG2 :: 1.970164911 HG3 :: 2.037278743 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 :: 116.1308109 Ave N Shift Values>> N :: 120.67(3.48) 1.Y111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.28 L 0.11 D 0.09 I 0.08 K 0.07 N 0.01 C Shift Assignments>> C :: 175.382119 CA :: 57.9429326 CB :: 40.50877589 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.686226491 HA :: 4.47875063 HB2 :: 2.962187724 HB3 :: 3.21286838 HD1 :: 6.998838653 HD2 :: 6.998838653 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 :: 115.9321422 Ave N Shift Values>> N :: 120.52(4.2) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 L 0.01 C Shift Assignments>> C :: 177.2945025 CA :: 52.94310781 CB :: 19.74127464 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.259522982 HA :: 4.649412537 HB1 :: 1.674218073 HB2 :: 1.674218073 HB3 :: 1.674218073 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.8845922 Ave N Shift Values>> N :: 123.23(3.54) 1.M113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.22 I 0.04 C Shift Assignments>> C :: 176.4060724 CA :: 55.41774508 CE :: 17.0456359 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 :: 8.620854847 HA :: 4.577585329 HB2 :: 1.983825045 HB3 :: 2.167383465 HE1 :: 2.077613098 HE2 :: 2.077613098 HE3 :: 2.077613098 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.1227979 Ave N Shift Values>> N :: 120.09(3.57) 1.E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.17 E 0.16 W 0.16 Q 0.14 M 0.08 K 0.07 I 0.01 V 0.01 C Shift Assignments>> CA :: 56.99146267 CB :: 30.33736964 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 :: 8.555219081 HA :: 4.354122905 HB2 :: 2.007767448 HB3 :: 2.11949866 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 :: 122.364413 Ave N Shift Values>> N :: 120.67(3.48) 1.S115 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.16596962 CB :: 63.92655656 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.376907461 HA :: 4.306238099 HB2 :: 1.393245781(A) 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 :: 116.0725242 Ave N Shift Values>> N :: 116.28(3.52) 1.N116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.344375628 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 :: 119.3574365 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.64 M 0.12 K 0.09 Q 0.07 I 0.05 C Shift Assignments>> C :: 176.2439573 CA :: 56.85222501 CB :: 30.15628341 CG :: 36.40244918 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>> HA :: 4.250372493 HB2 :: 1.951901842 HB3 :: 2.071613855 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) 1.N120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.25 F 0.08 Y 0.08 L 0.08 C Shift Assignments>> C :: 175.0354171 CA :: 53.32776081 CB :: 39.30489261 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 :: 8.468624076 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 :: 119.3230578 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.33 L 0.23 N 0.11 K 0.1 F 0.1 Y 0.08 R 0.01 C Shift Assignments>> C :: 176.0493849 CA :: 54.4102788 CB :: 41.09341693 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 K 0.11 M 0.11 Q 0.07 I 0.05 HN Overlap>> 1.F25 1.F25 C Shift Assignments>> C :: 176.548273 CA :: 56.5619084 CB :: 29.97972218 CG :: 36.40043994 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 :: 8.315402476 HA :: 4.322199701 HB2 :: 1.951901842 HB3 :: 2.095556257 HG2 :: 2.234941558 HG3 :: 2.234941558 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.7519897 Ave N Shift Values>> N :: 120.67(3.48) 1.T124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.2260164 CA :: 62.4702444 CB :: 70.09754801 CG2 :: 21.56207409 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 :: 8.015776143 HA :: 4.202487688 HB :: 4.124892667 HG21 :: 1.145112053 HG22 :: 1.145112053 HG23 :: 1.145112053 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.7389565 Ave N Shift Values>> N :: 115.42(4.75) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.17 W 0.14 E 0.14 M 0.12 Q 0.11 K 0.09 V 0.01 HN Overlap>> 1.N96 1.N96 C Shift Assignments>> C :: 174.614141 CA :: 56.28381142 CB :: 30.87167466 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 :: 8.303162239 HA :: 4.33762026 HB2 :: 1.920378625 HB3 :: 1.975844244 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 :: 124.4373905 Ave N Shift Values>> N :: 120.67(3.48) 1.K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 174.5733785 CA :: 54.70005219 CB :: 34.43513293 CG :: 24.65901912 CD :: 28.97836248 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 :: 8.401462458 HA :: 4.386046108 HB2 :: 1.5688234 HB3 :: 1.704497015 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 :: 123.7459908 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.7975719 CA :: 52.71233579 CB :: 37.67104099 CD1 :: 132.1708295 CD2 :: 132.1708295 CE1 :: 118.0650187 CE2 :: 118.0650187 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 :: 8.194712969 HA :: 5.078755449 HB2 :: 2.130636959 HB3 :: 2.33412176 HD1 :: 6.725912208 HD2 :: 6.725912208 HE1 :: 6.96239135 HE2 :: 6.96239135 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.6949888 Ave N Shift Values>> N :: 120.52(4.2) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.19 F 0.04 Y 0.04 L 0.04 C Shift Assignments>> C :: 173.6562237 CA :: 51.95726915 CB :: 38.95604564 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 :: 9.032761055 HA :: 4.738705514 HB2 :: 2.621596622 HB3 :: 2.645552839 HD21 :: 7.202474399 HD22 :: 7.313619061 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 :: 123.10764 ND2 :: 113.3695965 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I129 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.56 A 0.36 M 0.04 V 0.02 C Shift Assignments>> C :: 175.9156508 CA :: 59.12980417 CB :: 35.32618284 CG1 :: 25.7481905 CG2 :: 16.9970506 CD1 :: 8.04683814 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.52457492 HA :: 3.653000123 HB :: 1.822278676 HG21 :: 0.2628669325 HG22 :: 0.2628669325 HG23 :: 0.2628669325 HD11 :: -0.7040211932(S) HD12 :: -0.7040211932(S) HD13 :: -0.7040211932(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.1371934 Ave N Shift Values>> N :: 121.46(4.28) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.26 Q 0.06 I 0.03 K 0.02 C Shift Assignments>> C :: 176.5762137 CA :: 57.75958707 CB :: 31.26761446 CG :: 36.1988648 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 :: 9.247064954 HA :: 4.242391693 HB2 :: 1.808247426 HB3 :: 1.808247426 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 :: 129.5231304 Ave N Shift Values>> N :: 120.67(3.48) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.09 G 0.03 A 0.01 C Shift Assignments>> C :: 173.9776967 CA :: 55.62063564 CB :: 35.02225826 CG :: 23.98703099 CD :: 29.46466005 CE :: 42.45530963 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 :: 7.426801794 HA :: 4.536677999 HB2 :: 1.769256083 HB3 :: 1.900354568 HG2 :: 1.212061643 HG3 :: 1.213257079 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.8100013 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 L 0.43 R 0.05 C Shift Assignments>> C :: 177.2396648 CA :: 54.97703554 CB :: 41.96722366 CG :: 28.22722743 CD1 :: 24.88487303 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 :: 8.668100048 HA :: 4.541674265 HB2 :: 1.696516214 HB3 :: 1.696516214 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 :: 125.0966083 Ave N Shift Values>> N :: 121.86(3.9) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 R 0.33 K 0.12 G 0.06 HN Overlap>> 1.I84 1.I84 C Shift Assignments>> C :: 177.4608152 CA :: 54.73817487 CB :: 42.92692266 CG :: 27.48818903 CD2 :: 26.62432035 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 :: 9.034306651 HA :: 4.561623727 HB2 :: 1.624689006 HB3 :: 1.816228227 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.6441454 Ave N Shift Values>> N :: 121.86(3.9) 1.G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.27 G 0.27 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> CA :: 44.02744825 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.417319449 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.17517 Ave N Shift Values>> N :: 109.67(3.87) 1.P135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 C Shift Assignments>> C :: 177.8282327 CA :: 65.49070287 CB :: 31.99075633 CG :: 27.42304062 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 :: 4.114698879 HB2 :: 2.263153076 HG2 :: 1.975844244 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.N136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.19 Y 0.15 F 0.14 L 0.06 E 0.01 I 0.01 M 0.01 C Shift Assignments>> C :: 177.1975699 CA :: 54.45253209 CB :: 38.8012958 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 :: 8.637234671 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 :: 113.5114936 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.21 R 0.19 F 0.14 Y 0.1 D 0.08 I 0.01 C Shift Assignments>> C :: 176.509574 CA :: 57.29170033 CB :: 42.3959683 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.730639411 HA :: 4.936721369 HB2 :: 2.622289115 HB3 :: 3.02930996 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 :: 119.0104413 Ave N Shift Values>> N :: 120.65(3.86) 1.L138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N140 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.37 F 0.32 I 0.18 E 0.03 D 0.03 L 0.02 N 0.01 C Shift Assignments>> CA :: 58.36455552 CB :: 38.6770394 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>> HA :: 4.457873316 HB2 :: 2.949501951 HB3 :: 2.949501951 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) 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 :: 174.454208 CA :: 59.13965458 CB :: 63.497218 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.153583486 HA :: 4.330180502 HB2 :: 3.771524441 HB3 :: 3.771524441 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 :: 117.3102299 Ave N Shift Values>> N :: 116.28(3.52) 1.Y143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.3 I 0.19 E 0.05 D 0.02 L 0.01 N 0.01 M 0.01 HN Overlap>> 1.I11 1.I11 C Shift Assignments>> C :: 175.9101396 CA :: 58.36455552 CB :: 38.36699977 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.961333988 HA :: 4.457873316 HB2 :: 3.013348358 HB3 :: 3.017591193 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 :: 121.7484821 Ave N Shift Values>> N :: 120.52(4.2) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.19 D 0.18 R 0.15 F 0.09 Y 0.06 N 0.01 C Shift Assignments>> C :: 177.3660711 CA :: 55.41917909 CB :: 42.32000498 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.819977692 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.3973922 Ave N Shift Values>> N :: 121.86(3.9) 1.E145 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: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H150 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H151 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 145 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 116 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 35 Shift Relative Order (SRO) Results: #Consistent: 151 #Suspicious: 0 C Shift Results: #Consistent: 422 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 523 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 1 N Shift Results: #Consistent: 108 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.N19 HB2 = 1.547378706(S), Expected = 2.81, Std = 0.3100, ChiSquare = 4.6417e-05 1.G36 HA2 = 2.332406352(S), Expected = 3.97, Std = 0.3700, ChiSquare = 9.6028e-06 1.G36 N = 123.8298508(S), Expected = 109.67, Std = 3.8700, ChiSquare = 2.5332e-04 1.A80 CB = 25.53377047(S), Expected = 19.01, Std = 1.8300, ChiSquare = 3.6399e-04 1.A109 HB1 = 0.2811055631(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9372e-05 1.A109 HB2 = 0.2811055631(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9372e-05 1.A109 HB3 = 0.2811055631(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9372e-05 1.S115 HB2 = 1.393245781(A), Expected = 3.88, Std = 0.2500, ChiSquare = 2.5986e-23 1.I129 HD11 = -0.7040211932(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.8196e-06 1.I129 HD12 = -0.7040211932(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.8196e-06 1.I129 HD13 = -0.7040211932(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.8196e-06